{ "_meta": { "date": "2026-05-17", "phase": "4 v2 (re-run on unified LOTUS + NPAtlas + KNApSAcK)", "supersedes": "phase-3-fungal-chokepoint-hits.json (LOTUS-only intersection on ~1,000 activity records)", "matching_method": "ChEMBL activity records joined to unified compounds by InChIKey (exact + 2D fallback)", "toxicity_filter_applied": true }, "by_chokepoint": { "URAT1": [ { "inchikey": "YXOLAZRVSSWPPT-UHFFFAOYSA-N", "compound_name": "bois d,arc", "molecular_formula": "C15H10O7", "fungal_species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL28626", "chembl_molecule_pref_name": "MORIN", "target_chembl_id": "CHEMBL6120", "target_pref_name": "Solute carrier family 22 member 12", "standard_type": "IC50", "standard_value": "2000.0", "standard_units": "nM", "pchembl_value": "5.70", "assay_description": "Inhibition of human URAT1-mediated urate uptake in HEK293 cells", "document_year": 2007, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, { "inchikey": "YXOLAZRVSSWPPT-UHFFFAOYSA-N", "compound_name": "bois d,arc", "molecular_formula": "C15H10O7", "fungal_species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL28626", "chembl_molecule_pref_name": "MORIN", "target_chembl_id": "CHEMBL6120", "target_pref_name": "Solute carrier family 22 member 12", "standard_type": "Ki", "standard_value": "2000.0", "standard_units": "nM", "pchembl_value": "5.70", "assay_description": "Inhibition of URAT1(unknown origin)", "document_year": 2023, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, { "inchikey": "YXOLAZRVSSWPPT-UHFFFAOYSA-N", "compound_name": "bois d,arc", "molecular_formula": "C15H10O7", "fungal_species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL28626", "chembl_molecule_pref_name": "MORIN", "target_chembl_id": "CHEMBL6120", "target_pref_name": "Solute carrier family 22 member 12", "standard_type": "Ki", "standard_value": "5740.0", "standard_units": "nM", "pchembl_value": "5.24", "assay_description": "Inhibition of human URAT1-mediated urate uptake in HEK293 cells by competitive inhibition assay", "document_year": 2007, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] } ], "GLUT9": [], "ABCG2": [ { "inchikey": "XTLQWSBGQKPGCF-YWDSKPHESA-N", "compound_name": "(1s,12r,15r,23r)-16-acetyl-12-methyl-23-(2-methylbut-3-en-2-yl)-3,11,14,16-tetraazahexacyclo[12.10.0.0²,¹¹.0⁴,⁹.0¹⁵,²³.0", "molecular_formula": "C28H28N4O3", "fungal_species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "chembl_molecule_id": "CHEMBL3402065", "chembl_molecule_pref_name": null, "target_chembl_id": "CHEMBL5393", "target_pref_name": "Broad substrate specificity ATP-binding cassette transporter ABCG2", "standard_type": "Inhibition", "standard_value": "21.8", "standard_units": "%", "pchembl_value": null, "assay_description": "Inhibition of ABCG2 (unknown origin) transfected in Flp-In-293 cells assessed as inhibition of Hoechst 33342 efflux measured as inhibition ratio after 90 mins by flow cytometry", "document_year": 2015, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, { "inchikey": "XTLQWSBGQKPGCF-UHFFFAOYSA-N", "compound_name": "16-acetyl-12-methyl-23-(2-methylbut-3-en-2-yl)-3,11,14,16-tetraazahexacyclo[12.10.0.0²,¹¹.0⁴,⁹.0¹⁵,²³.0¹⁷,²²]tetracosa-2", "molecular_formula": "C28H28N4O3", "fungal_species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL3402065", "chembl_molecule_pref_name": null, "target_chembl_id": "CHEMBL5393", "target_pref_name": "Broad substrate specificity ATP-binding cassette transporter ABCG2", "standard_type": "Inhibition", "standard_value": "21.8", "standard_units": "%", "pchembl_value": null, "assay_description": "Inhibition of ABCG2 (unknown origin) transfected in Flp-In-293 cells assessed as inhibition of Hoechst 33342 efflux measured as inhibition ratio after 90 mins by flow cytometry", "document_year": 2015, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, { "inchikey": "REFJWTPEDVJJIY-UHFFFAOYSA-N", "compound_name": "quercetin", "molecular_formula": "C15H10O7", "fungal_species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL50", "chembl_molecule_pref_name": "QUERCETIN", "target_chembl_id": "CHEMBL5393", "target_pref_name": "Broad substrate specificity ATP-binding cassette transporter ABCG2", "standard_type": "EC50", "standard_value": "30.0", "standard_units": "nM", "pchembl_value": "7.52", "assay_description": "Activation of recombinant human ABCG2 ATPase activity expressed in baculovirus infected High five insect cell membranes after 20 mins by ascorbic acid ammonia molybdate reaction-based colorimetric method", "document_year": 2018, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, { "inchikey": "LMPLCDBTXJVFFT-UHFFFAOYSA-N", "compound_name": "5,8-dihydroxy-10-methoxy-2-methylbenzo[h]chromen-4-one", "molecular_formula": "C15H12O5", "fungal_species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL454794", "chembl_molecule_pref_name": null, "target_chembl_id": "CHEMBL5393", "target_pref_name": "Broad substrate specificity ATP-binding cassette transporter ABCG2", "standard_type": "Inhibition", "standard_value": "31.0", "standard_units": "%", "pchembl_value": null, "assay_description": "Inhibition of ABCG2 expressed in human NCI-H460 cells assessed as inhibition of PhA accumulation relative to fumitremorgin C", "document_year": 2010, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, { "inchikey": "REFJWTPEDVJJIY-UHFFFAOYSA-N", "compound_name": "quercetin", "molecular_formula": "C15H10O7", "fungal_species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL50", "chembl_molecule_pref_name": "QUERCETIN", "target_chembl_id": "CHEMBL5393", "target_pref_name": "Broad substrate specificity ATP-binding cassette transporter ABCG2", "standard_type": "Inhibition", "standard_value": "39.0", "standard_units": "%", "pchembl_value": null, "assay_description": "Inhibition of BCRP (unknown origin) expressed in HEK293/R2 cells assessed as conformational change by measuring increase in 5D3 shift at 10 uM preincubated for 15 mins followed by FITC mouse antihuman BCRP antibody addition measured after 30 mins by ", "document_year": 2021, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, { "inchikey": "DBEYVIGIPJSTOR-FHWLQOOXSA-N", "compound_name": "Fumitremorgin C", "molecular_formula": "C22H25N3O3", "fungal_species": [ "[npatlas-query] Aspergillus" ], "source_dbs": [ "NPAtlas" ], "chembl_molecule_id": "CHEMBL410316", "chembl_molecule_pref_name": "FUMITREMORGIN", "target_chembl_id": "CHEMBL5393", "target_pref_name": "Broad substrate specificity ATP-binding cassette transporter ABCG2", "standard_type": "Inhibition", "standard_value": "100.0", "standard_units": "%", "pchembl_value": null, "assay_description": "Inhibition of ABCG2 over-expressed in human MCF7/Topo cells at 7 to 10 uM by flow cytometric-based mitoxantrone efflux assay relative to fumitremorgin C", "document_year": 2009, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus" ] }, { "inchikey": "DBEYVIGIPJSTOR-FHWLQOOXSA-N", "compound_name": "Fumitremorgin C", "molecular_formula": "C22H25N3O3", "fungal_species": [ "[npatlas-query] Aspergillus" ], "source_dbs": [ "NPAtlas" ], "chembl_molecule_id": "CHEMBL410316", "chembl_molecule_pref_name": "FUMITREMORGIN", "target_chembl_id": "CHEMBL5393", "target_pref_name": "Broad substrate specificity ATP-binding cassette transporter ABCG2", "standard_type": "Inhibition", "standard_value": "100.0", "standard_units": "%", "pchembl_value": null, "assay_description": "Inhibition of ABCG2 (unknown origin)-mediated mitoxantrone efflux at 5 uM relative to control", "document_year": 2023, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus" ] }, { "inchikey": "REFJWTPEDVJJIY-UHFFFAOYSA-N", "compound_name": "quercetin", "molecular_formula": "C15H10O7", "fungal_species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL50", "chembl_molecule_pref_name": "QUERCETIN", "target_chembl_id": "CHEMBL5393", "target_pref_name": "Broad substrate specificity ATP-binding cassette transporter ABCG2", "standard_type": "EC50", "standard_value": "278.0", "standard_units": "nM", "pchembl_value": "6.56", "assay_description": "Activation of ABCG2 (unknown origin) ATPase activity expressed in baculovirus infected high five cell membranes by ascorbic acid/ammonia molybdate reaction-based colorimetric analysis", "document_year": 2017, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, { "inchikey": "REFJWTPEDVJJIY-UHFFFAOYSA-N", "compound_name": "quercetin", "molecular_formula": "C15H10O7", "fungal_species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL50", "chembl_molecule_pref_name": "QUERCETIN", "target_chembl_id": "CHEMBL5393", "target_pref_name": "Broad substrate specificity ATP-binding cassette transporter ABCG2", "standard_type": "EC50", "standard_value": "278.0", "standard_units": "nM", "pchembl_value": "6.56", "assay_description": "Activation of ABCG2 ATPase activity (unknown origin) expressed in baculovirus infected high5 cell membranes after 20 mins by ascorbic acid ammonia molybdate reaction based colorimetric assay", "document_year": 2017, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, { "inchikey": "DBEYVIGIPJSTOR-FHWLQOOXSA-N", "compound_name": "Fumitremorgin C", "molecular_formula": "C22H25N3O3", "fungal_species": [ "[npatlas-query] Aspergillus" ], "source_dbs": [ "NPAtlas" ], "chembl_molecule_id": "CHEMBL410316", "chembl_molecule_pref_name": "FUMITREMORGIN", "target_chembl_id": "CHEMBL5393", "target_pref_name": "Broad substrate specificity ATP-binding cassette transporter ABCG2", "standard_type": "IC50", "standard_value": "321.0", "standard_units": "nM", "pchembl_value": "6.49", "assay_description": "Inhibition of ABCG2 in human H460/MX20 cells assessed as potentiation of mitoxantrone induced antiproliferative activity by measuring mitoxantrone IC50 at 10 uM preincubated for 2 hrs followed by mitoxantrone addition measured after 72 hrs by MTT ass", "document_year": 2017, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus" ] }, { "inchikey": "DBEYVIGIPJSTOR-FHWLQOOXSA-N", "compound_name": "Fumitremorgin C", "molecular_formula": "C22H25N3O3", "fungal_species": [ "[npatlas-query] Aspergillus" ], "source_dbs": [ "NPAtlas" ], "chembl_molecule_id": "CHEMBL410316", "chembl_molecule_pref_name": "FUMITREMORGIN", "target_chembl_id": "CHEMBL5393", "target_pref_name": "Broad substrate specificity ATP-binding cassette transporter ABCG2", "standard_type": "IC50", "standard_value": "451.0", "standard_units": "nM", "pchembl_value": "6.35", "assay_description": "Inhibition of ABCG2 in human H460/MX20 cells assessed as potentiation of mitoxantrone induced antiproliferative activity by measuring mitoxantrone IC50 at 3 uM preincubated for 2 hrs followed by mitoxantrone addition measured after 72 hrs by MTT assa", "document_year": 2017, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus" ] }, { "inchikey": "DBEYVIGIPJSTOR-FHWLQOOXSA-N", "compound_name": "Fumitremorgin C", "molecular_formula": "C22H25N3O3", "fungal_species": [ "[npatlas-query] Aspergillus" ], "source_dbs": [ "NPAtlas" ], "chembl_molecule_id": "CHEMBL410316", "chembl_molecule_pref_name": "FUMITREMORGIN", "target_chembl_id": "CHEMBL5393", "target_pref_name": "Broad substrate specificity ATP-binding cassette transporter ABCG2", "standard_type": "IC50", "standard_value": "470.0", "standard_units": "nM", "pchembl_value": "6.33", "assay_description": "Inhibition of human ABCG2 expressed in dog MDCK-II-BCRP cells mediated pheophorbide A efflux preincubated with PhA followed by compound addition and measured after 60 mins by flow cytometry", "document_year": 2022, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus" ] }, { "inchikey": "DBEYVIGIPJSTOR-FHWLQOOXSA-N", "compound_name": "Fumitremorgin C", "molecular_formula": "C22H25N3O3", "fungal_species": [ "[npatlas-query] Aspergillus" ], "source_dbs": [ "NPAtlas" ], "chembl_molecule_id": "CHEMBL410316", "chembl_molecule_pref_name": "FUMITREMORGIN", "target_chembl_id": "CHEMBL5393", "target_pref_name": "Broad substrate specificity ATP-binding cassette transporter ABCG2", "standard_type": "IC50", "standard_value": "612.0", "standard_units": "nM", "pchembl_value": "6.21", "assay_description": "Inhibition of ABCG2 in human H460/MX20 cells assessed as potentiation of mitoxantrone induced antiproliferative activity by measuring mitoxantrone IC50 at 1 uM preincubated for 2 hrs followed by mitoxantrone addition measured after 72 hrs by MTT assa", "document_year": 2017, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus" ] }, { "inchikey": "DBEYVIGIPJSTOR-FHWLQOOXSA-N", "compound_name": "Fumitremorgin C", "molecular_formula": "C22H25N3O3", "fungal_species": [ "[npatlas-query] Aspergillus" ], "source_dbs": [ "NPAtlas" ], "chembl_molecule_id": "CHEMBL410316", "chembl_molecule_pref_name": "FUMITREMORGIN", "target_chembl_id": "CHEMBL5393", "target_pref_name": "Broad substrate specificity ATP-binding cassette transporter ABCG2", "standard_type": "IC50", "standard_value": "730.0", "standard_units": "nM", "pchembl_value": "6.14", "assay_description": "Inhibition of ABCG2 in human MCF7/Topo cells by Hoechst 33342 assay", "document_year": 2016, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus" ] }, { "inchikey": "DBEYVIGIPJSTOR-FHWLQOOXSA-N", "compound_name": "Fumitremorgin C", "molecular_formula": "C22H25N3O3", "fungal_species": [ "[npatlas-query] Aspergillus" ], "source_dbs": [ "NPAtlas" ], "chembl_molecule_id": "CHEMBL410316", "chembl_molecule_pref_name": "FUMITREMORGIN", "target_chembl_id": "CHEMBL5393", "target_pref_name": "Broad substrate specificity ATP-binding cassette transporter ABCG2", "standard_type": "IC50", "standard_value": "731.0", "standard_units": "nM", "pchembl_value": "6.14", "assay_description": "Inhibition of ABCG2 in human MCF7/Topo cells after 2 hrs by Hoechst 33342 microplate assay", "document_year": 2013, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus" ] }, { "inchikey": "DBEYVIGIPJSTOR-FHWLQOOXSA-N", "compound_name": "Fumitremorgin C", "molecular_formula": "C22H25N3O3", "fungal_species": [ "[npatlas-query] Aspergillus" ], "source_dbs": [ "NPAtlas" ], "chembl_molecule_id": "CHEMBL410316", "chembl_molecule_pref_name": "FUMITREMORGIN", "target_chembl_id": "CHEMBL5393", "target_pref_name": "Broad substrate specificity ATP-binding cassette transporter ABCG2", "standard_type": "IC50", "standard_value": "731.0", "standard_units": "nM", "pchembl_value": "6.14", "assay_description": "Inhibition of ABCG2 in human MCF7/Topo cells after 2 hrs by Hoechst 33342 staining based fluorescence assay", "document_year": 2018, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus" ] }, { "inchikey": "DBEYVIGIPJSTOR-FHWLQOOXSA-N", "compound_name": "Fumitremorgin C", "molecular_formula": "C22H25N3O3", "fungal_species": [ "[npatlas-query] Aspergillus" ], "source_dbs": [ "NPAtlas" ], "chembl_molecule_id": "CHEMBL410316", "chembl_molecule_pref_name": "FUMITREMORGIN", "target_chembl_id": "CHEMBL5393", "target_pref_name": "Broad substrate specificity ATP-binding cassette transporter ABCG2", "standard_type": "IC50", "standard_value": "800.0", "standard_units": "nM", "pchembl_value": "6.10", "assay_description": "Inhibition of ABCG2 expressed in human NCI-H460 cells assessed as inhibition of PhA accumulation after 2 to 20 hrs relative to fumitremorgin C", "document_year": 2011, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus" ] }, { "inchikey": "DBEYVIGIPJSTOR-FHWLQOOXSA-N", "compound_name": "Fumitremorgin C", "molecular_formula": "C22H25N3O3", "fungal_species": [ "[npatlas-query] Aspergillus" ], "source_dbs": [ "NPAtlas" ], "chembl_molecule_id": "CHEMBL410316", "chembl_molecule_pref_name": "FUMITREMORGIN", "target_chembl_id": "CHEMBL5393", "target_pref_name": "Broad substrate specificity ATP-binding cassette transporter ABCG2", "standard_type": "IC50", "standard_value": "960.0", "standard_units": "nM", "pchembl_value": "6.02", "assay_description": "Inhibition of BCRP in human MCF7/Topo cells assessed as mitoxantrone accumulation preincubated for 10 mins followed by mitoxantrone addition measured after 30 mins by fluorescence assay", "document_year": 2016, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus" ] }, { "inchikey": "DBEYVIGIPJSTOR-FHWLQOOXSA-N", "compound_name": "Fumitremorgin C", "molecular_formula": "C22H25N3O3", "fungal_species": [ "[npatlas-query] Aspergillus" ], "source_dbs": [ "NPAtlas" ], "chembl_molecule_id": "CHEMBL410316", "chembl_molecule_pref_name": "FUMITREMORGIN", "target_chembl_id": "CHEMBL5393", "target_pref_name": "Broad substrate specificity ATP-binding cassette transporter ABCG2", "standard_type": "EC50", "standard_value": "1000.0", "standard_units": "nM", "pchembl_value": "6.00", "assay_description": "Inhibition of BCRP (unknown origin)", "document_year": 2019, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus" ] }, { "inchikey": "DBEYVIGIPJSTOR-FHWLQOOXSA-N", "compound_name": "Fumitremorgin C", "molecular_formula": "C22H25N3O3", "fungal_species": [ "[npatlas-query] Aspergillus" ], "source_dbs": [ "NPAtlas" ], "chembl_molecule_id": "CHEMBL410316", "chembl_molecule_pref_name": "FUMITREMORGIN", "target_chembl_id": "CHEMBL5393", "target_pref_name": "Broad substrate specificity ATP-binding cassette transporter ABCG2", "standard_type": "Ki", "standard_value": "1300.0", "standard_units": "nM", "pchembl_value": "5.89", "assay_description": "TP_TRANSPORTER: inhibition of ATPase in membrane vesicle from BCRP-expressing Sf9 cells", "document_year": 2001, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus" ] }, { "inchikey": "DBEYVIGIPJSTOR-FHWLQOOXSA-N", "compound_name": "Fumitremorgin C", "molecular_formula": "C22H25N3O3", "fungal_species": [ "[npatlas-query] Aspergillus" ], "source_dbs": [ "NPAtlas" ], "chembl_molecule_id": "CHEMBL410316", "chembl_molecule_pref_name": "FUMITREMORGIN", "target_chembl_id": "CHEMBL5393", "target_pref_name": "Broad substrate specificity ATP-binding cassette transporter ABCG2", "standard_type": "IC50", "standard_value": "1483.0", "standard_units": "nM", "pchembl_value": "5.83", "assay_description": "Inhibition of ABCG2 in topotecan-cultured human MCF7 cells using Hoechst 33342 as substrate measured after 2 hrs by fluorescence assay", "document_year": 2020, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus" ] }, { "inchikey": "DBEYVIGIPJSTOR-FHWLQOOXSA-N", "compound_name": "Fumitremorgin C", "molecular_formula": "C22H25N3O3", "fungal_species": [ "[npatlas-query] Aspergillus" ], "source_dbs": [ "NPAtlas" ], "chembl_molecule_id": "CHEMBL410316", "chembl_molecule_pref_name": "FUMITREMORGIN", "target_chembl_id": "CHEMBL5393", "target_pref_name": "Broad substrate specificity ATP-binding cassette transporter ABCG2", "standard_type": "EC50", "standard_value": "2000.0", "standard_units": "nM", "pchembl_value": "5.70", "assay_description": "Inhibition of ABCG2 (unknown origin)-mediated mitoxantrone efflux", "document_year": 2023, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus" ] }, { "inchikey": "REFJWTPEDVJJIY-UHFFFAOYSA-N", "compound_name": "quercetin", "molecular_formula": "C15H10O7", "fungal_species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL50", "chembl_molecule_pref_name": "QUERCETIN", "target_chembl_id": "CHEMBL5393", "target_pref_name": "Broad substrate specificity ATP-binding cassette transporter ABCG2", "standard_type": "IC50", "standard_value": "6900.0", "standard_units": "nM", "pchembl_value": "5.16", "assay_description": "Inhibition of BCRP expressed in MDCK cells using Hoechst 33342 staining", "document_year": 2011, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, { "inchikey": "TZBJGXHYKVUXJN-UHFFFAOYSA-N", "compound_name": "genistein", "molecular_formula": "C15H10O5", "fungal_species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL44", "chembl_molecule_pref_name": "GENISTEIN", "target_chembl_id": "CHEMBL5393", "target_pref_name": "Broad substrate specificity ATP-binding cassette transporter ABCG2", "standard_type": "IC50", "standard_value": "6900.0", "standard_units": "nM", "pchembl_value": "5.16", "assay_description": "Inhibition of BCRP expressed in MDCK cells using Hoechst 33342 staining", "document_year": 2011, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, { "inchikey": "REFJWTPEDVJJIY-UHFFFAOYSA-N", "compound_name": "quercetin", "molecular_formula": "C15H10O7", "fungal_species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL50", "chembl_molecule_pref_name": "QUERCETIN", "target_chembl_id": "CHEMBL5393", "target_pref_name": "Broad substrate specificity ATP-binding cassette transporter ABCG2", "standard_type": "IC50", "standard_value": "7600.0", "standard_units": "nM", "pchembl_value": "5.12", "assay_description": "Inhibition of BCRP expressed in MCF-7 MX cells using Hoechst 33342 staining", "document_year": 2011, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, { "inchikey": "TZBJGXHYKVUXJN-UHFFFAOYSA-N", "compound_name": "genistein", "molecular_formula": "C15H10O5", "fungal_species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL44", "chembl_molecule_pref_name": "GENISTEIN", "target_chembl_id": "CHEMBL5393", "target_pref_name": "Broad substrate specificity ATP-binding cassette transporter ABCG2", "standard_type": "IC50", "standard_value": "8800.0", "standard_units": "nM", "pchembl_value": "5.06", "assay_description": "Inhibition of BCRP expressed in MCF-7 MX cells using Hoechst 33342 staining", "document_year": 2011, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, { "inchikey": "DBEYVIGIPJSTOR-FHWLQOOXSA-N", "compound_name": "Fumitremorgin C", "molecular_formula": "C22H25N3O3", "fungal_species": [ "[npatlas-query] Aspergillus" ], "source_dbs": [ "NPAtlas" ], "chembl_molecule_id": "CHEMBL410316", "chembl_molecule_pref_name": "FUMITREMORGIN", "target_chembl_id": "CHEMBL5393", "target_pref_name": "Broad substrate specificity ATP-binding cassette transporter ABCG2", "standard_type": "IC50", "standard_value": "11000.0", "standard_units": "nM", "pchembl_value": null, "assay_description": "Inhibition of ABCG2 overexpressed in human MCF7/Topo cells by flow cytometric-based mitoxantrone efflux assay", "document_year": 2009, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus" ] }, { "inchikey": "LMPLCDBTXJVFFT-UHFFFAOYSA-N", "compound_name": "5,8-dihydroxy-10-methoxy-2-methylbenzo[h]chromen-4-one", "molecular_formula": "C15H12O5", "fungal_species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL454794", "chembl_molecule_pref_name": null, "target_chembl_id": "CHEMBL5393", "target_pref_name": "Broad substrate specificity ATP-binding cassette transporter ABCG2", "standard_type": "IC50", "standard_value": "12800.0", "standard_units": "nM", "pchembl_value": "4.89", "assay_description": "Inhibition of ABCG2-mediated drug efflux expressed in human NCI-H460 cells", "document_year": 2010, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, { "inchikey": "YXOLAZRVSSWPPT-UHFFFAOYSA-N", "compound_name": "bois d,arc", "molecular_formula": "C15H10O7", "fungal_species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL28626", "chembl_molecule_pref_name": "MORIN", "target_chembl_id": "CHEMBL5393", "target_pref_name": "Broad substrate specificity ATP-binding cassette transporter ABCG2", "standard_type": "IC50", "standard_value": "21000.0", "standard_units": "nM", "pchembl_value": "4.68", "assay_description": "Inhibition of BCRP expressed in MDCK cells using Hoechst 33342 staining", "document_year": 2011, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, { "inchikey": "YXOLAZRVSSWPPT-UHFFFAOYSA-N", "compound_name": "bois d,arc", "molecular_formula": "C15H10O7", "fungal_species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL28626", "chembl_molecule_pref_name": "MORIN", "target_chembl_id": "CHEMBL5393", "target_pref_name": "Broad substrate specificity ATP-binding cassette transporter ABCG2", "standard_type": "IC50", "standard_value": "49000.0", "standard_units": "nM", "pchembl_value": "4.31", "assay_description": "Inhibition of BCRP expressed in MCF-7 MX cells using Hoechst 33342 staining", "document_year": 2011, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, { "inchikey": "KLKFLNXANXGSIT-UHFFFAOYSA-N", "compound_name": "5,8-dihydroxy-6-methoxy-2-methylbenzo[g]chromen-4-one", "molecular_formula": "C15H12O5", "fungal_species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL252106", "chembl_molecule_pref_name": null, "target_chembl_id": "CHEMBL5393", "target_pref_name": "Broad substrate specificity ATP-binding cassette transporter ABCG2", "standard_type": "Inhibition", "standard_value": null, "standard_units": "%", "pchembl_value": null, "assay_description": "Inhibition of ABCG2 expressed in human NCI-H460 cells assessed as inhibition of PhA accumulation relative to fumitremorgin C", "document_year": 2010, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, { "inchikey": "KLKFLNXANXGSIT-UHFFFAOYSA-N", "compound_name": "5,8-dihydroxy-6-methoxy-2-methylbenzo[g]chromen-4-one", "molecular_formula": "C15H12O5", "fungal_species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL252106", "chembl_molecule_pref_name": null, "target_chembl_id": "CHEMBL5393", "target_pref_name": "Broad substrate specificity ATP-binding cassette transporter ABCG2", "standard_type": "IC50", "standard_value": null, "standard_units": null, "pchembl_value": null, "assay_description": "Inhibition of ABCG2-mediated drug efflux expressed in human NCI-H460 cells", "document_year": 2010, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, { "inchikey": "XTLQWSBGQKPGCF-YWDSKPHESA-N", "compound_name": "(1s,12r,15r,23r)-16-acetyl-12-methyl-23-(2-methylbut-3-en-2-yl)-3,11,14,16-tetraazahexacyclo[12.10.0.0²,¹¹.0⁴,⁹.0¹⁵,²³.0", "molecular_formula": "C28H28N4O3", "fungal_species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "chembl_molecule_id": "CHEMBL3402065", "chembl_molecule_pref_name": null, "target_chembl_id": "CHEMBL5393", "target_pref_name": "Broad substrate specificity ATP-binding cassette transporter ABCG2", "standard_type": "Inhibition", "standard_value": null, "standard_units": "%", "pchembl_value": null, "assay_description": "Inhibition of ABCG2 (unknown origin) transfected in Flp-In-293 cells assessed as inhibition of Hoechst 33342 efflux after 90 mins by flow cytometry", "document_year": 2015, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, { "inchikey": "XTLQWSBGQKPGCF-UHFFFAOYSA-N", "compound_name": "16-acetyl-12-methyl-23-(2-methylbut-3-en-2-yl)-3,11,14,16-tetraazahexacyclo[12.10.0.0²,¹¹.0⁴,⁹.0¹⁵,²³.0¹⁷,²²]tetracosa-2", "molecular_formula": "C28H28N4O3", "fungal_species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL3402065", "chembl_molecule_pref_name": null, "target_chembl_id": "CHEMBL5393", "target_pref_name": "Broad substrate specificity ATP-binding cassette transporter ABCG2", "standard_type": "Inhibition", "standard_value": null, "standard_units": "%", "pchembl_value": null, "assay_description": "Inhibition of ABCG2 (unknown origin) transfected in Flp-In-293 cells assessed as inhibition of Hoechst 33342 efflux after 90 mins by flow cytometry", "document_year": 2015, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, { "inchikey": "XNRPVPHNDQHWLJ-PMACEKPBSA-N", "compound_name": "Tryprostatin A", "molecular_formula": "C22H27N3O3", "fungal_species": [ "[npatlas-query] Aspergillus", "[query-hint] Cordyceps" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "chembl_molecule_id": "CHEMBL289159", "chembl_molecule_pref_name": "TRYPROSTATIN A", "target_chembl_id": "CHEMBL5393", "target_pref_name": "Broad substrate specificity ATP-binding cassette transporter ABCG2", "standard_type": "Inhibition", "standard_value": null, "standard_units": "%", "pchembl_value": null, "assay_description": "Inhibition of BCRP in human K562 cells assessed as potentiation of SN38-mediated growth inhibition at 3 uM after 4 days by coulter counter method", "document_year": 2016, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Cordyceps==Cordyceps" ] }, { "inchikey": "CBQDILZSSFDSDL-OALUTQOASA-N", "compound_name": "6-hydroxytryprostatin", "molecular_formula": "C21H25N3O3", "fungal_species": [ "[npatlas-query] Aspergillus" ], "source_dbs": [ "NPAtlas" ], "chembl_molecule_id": "CHEMBL3884295", "chembl_molecule_pref_name": null, "target_chembl_id": "CHEMBL5393", "target_pref_name": "Broad substrate specificity ATP-binding cassette transporter ABCG2", "standard_type": "Inhibition", "standard_value": null, "standard_units": "%", "pchembl_value": null, "assay_description": "Inhibition of BCRP in human K562 cells assessed as potentiation of SN38-mediated growth inhibition at 3 uM after 4 days by coulter counter method", "document_year": 2016, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus" ] }, { "inchikey": "LQXCSIKDOISJTI-BZSNNMDCSA-N", "compound_name": "Demethoxyfumitremorgin C", "molecular_formula": "C21H23N3O2", "fungal_species": [ "[npatlas-query] Aspergillus" ], "source_dbs": [ "NPAtlas" ], "chembl_molecule_id": "CHEMBL39346", "chembl_molecule_pref_name": "DEMETHOXYFUMITREMORGIN C", "target_chembl_id": "CHEMBL5393", "target_pref_name": "Broad substrate specificity ATP-binding cassette transporter ABCG2", "standard_type": "Inhibition", "standard_value": null, "standard_units": "%", "pchembl_value": null, "assay_description": "Inhibition of BCRP in human K562 cells assessed as potentiation of SN38-mediated growth inhibition at 3 uM after 4 days by coulter counter method", "document_year": 2016, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus" ] }, { "inchikey": "GLWYBXPXOSKQAW-OALUTQOASA-N", "compound_name": "(3s,8as)-1-hydroxy-3-{[2-(3-methylbut-2-en-1-yl)-1h-indol-3-yl]methyl}-3h,6h,7h,8h,8ah-pyrrolo[1,2-a]pyrazin-4-one", "molecular_formula": "C21H25N3O2", "fungal_species": [ "[npatlas-query] Aspergillus", "[query-hint] Cordyceps" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "chembl_molecule_id": "CHEMBL36668", "chembl_molecule_pref_name": "TRYPROSTATIN B", "target_chembl_id": "CHEMBL5393", "target_pref_name": "Broad substrate specificity ATP-binding cassette transporter ABCG2", "standard_type": "Inhibition", "standard_value": null, "standard_units": "%", "pchembl_value": null, "assay_description": "Inhibition of BCRP in human K562 cells assessed as potentiation of SN38-mediated growth inhibition at 3 uM after 4 days by coulter counter method", "document_year": 2016, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Cordyceps==Cordyceps" ] }, { "inchikey": "RYFZBPVMVYTEKZ-KBPBESRZSA-N", "compound_name": "Brevianamide F", "molecular_formula": "C16H17N3O2", "fungal_species": [ "[npatlas-query] Penicillium" ], "source_dbs": [ "NPAtlas" ], "chembl_molecule_id": "CHEMBL563557", "chembl_molecule_pref_name": "BREVIANAMIDE F", "target_chembl_id": "CHEMBL5393", "target_pref_name": "Broad substrate specificity ATP-binding cassette transporter ABCG2", "standard_type": "Inhibition", "standard_value": null, "standard_units": "%", "pchembl_value": null, "assay_description": "Inhibition of BCRP in human K562 cells assessed as potentiation of SN38-mediated growth inhibition at 3 uM after 4 days by coulter counter method", "document_year": 2016, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium" ] }, { "inchikey": "DBEYVIGIPJSTOR-FHWLQOOXSA-N", "compound_name": "Fumitremorgin C", "molecular_formula": "C22H25N3O3", "fungal_species": [ "[npatlas-query] Aspergillus" ], "source_dbs": [ "NPAtlas" ], "chembl_molecule_id": "CHEMBL410316", "chembl_molecule_pref_name": "FUMITREMORGIN", "target_chembl_id": "CHEMBL5393", "target_pref_name": "Broad substrate specificity ATP-binding cassette transporter ABCG2", "standard_type": "Inhibition", "standard_value": null, "standard_units": "%", "pchembl_value": null, "assay_description": "Inhibition of BCRP in human K562 cells assessed as potentiation of SN38-mediated growth inhibition at 3 uM after 4 days by coulter counter method", "document_year": 2016, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus" ] }, { "inchikey": "CPHRCQUGNAGVIB-ZLFOXAAKSA-N", "compound_name": "Cyclotryprostatin A", "molecular_formula": "C22H25N3O5", "fungal_species": [ "[npatlas-query] Aspergillus" ], "source_dbs": [ "NPAtlas" ], "chembl_molecule_id": "CHEMBL3884139", "chembl_molecule_pref_name": null, "target_chembl_id": "CHEMBL5393", "target_pref_name": "Broad substrate specificity ATP-binding cassette transporter ABCG2", "standard_type": "Inhibition", "standard_value": null, "standard_units": "%", "pchembl_value": null, "assay_description": "Inhibition of BCRP in human K562 cells assessed as potentiation of SN38-mediated growth inhibition at 3 uM after 4 days by coulter counter method", "document_year": 2016, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus" ] }, { "inchikey": "WEIYXEFMCIRZHC-MWGWWEMPSA-N", "compound_name": "Fumitremorgin B", "molecular_formula": "C27H33N3O5", "fungal_species": [ "[npatlas-query] Aspergillus" ], "source_dbs": [ "NPAtlas" ], "chembl_molecule_id": "CHEMBL3885413", "chembl_molecule_pref_name": null, "target_chembl_id": "CHEMBL5393", "target_pref_name": "Broad substrate specificity ATP-binding cassette transporter ABCG2", "standard_type": "Inhibition", "standard_value": null, "standard_units": "%", "pchembl_value": null, "assay_description": "Inhibition of BCRP in human K562 cells assessed as potentiation of SN38-mediated growth inhibition at 3 uM after 4 days by coulter counter method", "document_year": 2016, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus" ] }, { "inchikey": "LRXYHMMJJCTUMY-GWXUGYLUSA-N", "compound_name": "(9r,14s,17s,23r,24s)-23,24-dihydroxy-5-methoxy-12,12-dimethyl-9-(2-methylprop-1-en-1-yl)-10,11-dioxa-8,15,21-triazahexac", "molecular_formula": "C27H33N3O7", "fungal_species": [ "[npatlas-query] Penicillium", "[query-hint] Cordyceps" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "chembl_molecule_id": "CHEMBL551369", "chembl_molecule_pref_name": null, "target_chembl_id": "CHEMBL5393", "target_pref_name": "Broad substrate specificity ATP-binding cassette transporter ABCG2", "standard_type": "Inhibition", "standard_value": null, "standard_units": "%", "pchembl_value": null, "assay_description": "Inhibition of BCRP in human K562 cells assessed as potentiation of SN38-mediated growth inhibition at 3 uM after 4 days by coulter counter method", "document_year": 2016, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Cordyceps==Cordyceps" ] }, { "inchikey": "RYFZBPVMVYTEKZ-KBPBESRZSA-N", "compound_name": "Brevianamide F", "molecular_formula": "C16H17N3O2", "fungal_species": [ "[npatlas-query] Penicillium" ], "source_dbs": [ "NPAtlas" ], "chembl_molecule_id": "CHEMBL563557", "chembl_molecule_pref_name": "BREVIANAMIDE F", "target_chembl_id": "CHEMBL5393", "target_pref_name": "Broad substrate specificity ATP-binding cassette transporter ABCG2", "standard_type": "Inhibition", "standard_value": null, "standard_units": "%", "pchembl_value": null, "assay_description": "Inhibition of BCRP (unknown origin)-dependent ATPase activity at 50 uM after 30 mins by malachite green method", "document_year": 2016, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium" ] }, { "inchikey": "GLWYBXPXOSKQAW-OALUTQOASA-N", "compound_name": "(3s,8as)-1-hydroxy-3-{[2-(3-methylbut-2-en-1-yl)-1h-indol-3-yl]methyl}-3h,6h,7h,8h,8ah-pyrrolo[1,2-a]pyrazin-4-one", "molecular_formula": "C21H25N3O2", "fungal_species": [ "[npatlas-query] Aspergillus", "[query-hint] Cordyceps" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "chembl_molecule_id": "CHEMBL36668", "chembl_molecule_pref_name": "TRYPROSTATIN B", "target_chembl_id": "CHEMBL5393", "target_pref_name": "Broad substrate specificity ATP-binding cassette transporter ABCG2", "standard_type": "Inhibition", "standard_value": null, "standard_units": "%", "pchembl_value": null, "assay_description": "Inhibition of BCRP (unknown origin)-dependent ATPase activity at 50 uM after 30 mins by malachite green method", "document_year": 2016, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Cordyceps==Cordyceps" ] }, { "inchikey": "LQXCSIKDOISJTI-BZSNNMDCSA-N", "compound_name": "Demethoxyfumitremorgin C", "molecular_formula": "C21H23N3O2", "fungal_species": [ "[npatlas-query] Aspergillus" ], "source_dbs": [ "NPAtlas" ], "chembl_molecule_id": "CHEMBL39346", "chembl_molecule_pref_name": "DEMETHOXYFUMITREMORGIN C", "target_chembl_id": "CHEMBL5393", "target_pref_name": "Broad substrate specificity ATP-binding cassette transporter ABCG2", "standard_type": "Inhibition", "standard_value": null, "standard_units": "%", "pchembl_value": null, "assay_description": "Inhibition of BCRP (unknown origin)-dependent ATPase activity at 50 uM after 30 mins by malachite 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"CHEMBL470054", "chembl_molecule_pref_name": "BOLETININ C", "target_chembl_id": "CHEMBL1929", "target_pref_name": "Xanthine dehydrogenase/oxidase", "standard_type": "Inhibition", "standard_value": "7.0", "standard_units": "%", "pchembl_value": null, "assay_description": "Inhibition of XOD at 125 uM relative to control", "document_year": 2004, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Suillus==Suillus" ] }, { "inchikey": "AOJDLUWCHJXNCH-SDWHTVMGSA-N", "compound_name": "(2e)-3-methyl-4-oxo-4-{[(2e,6e,10e,14e)-3,7,11,15-tetramethyl-16-oxohexadeca-2,6,10,14-tetraen-1-yl]oxy}but-2-enoic acid", "molecular_formula": "C25H36O5", "fungal_species": [ "[query-hint] Suillus" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL470870", "chembl_molecule_pref_name": "BOLETININ I", "target_chembl_id": "CHEMBL1929", "target_pref_name": "Xanthine dehydrogenase/oxidase", "standard_type": "Inhibition", "standard_value": "7.0", "standard_units": 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"toxicity_filter_reasons": [ "INCLUDE:Suillus==Suillus" ] }, { "inchikey": "UZHMDKVEUKIXIG-UHFFFAOYSA-N", "compound_name": "4-[(16-hydroxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl)oxy]-4-oxobut-2-enoic acid", "molecular_formula": "C24H36O5", "fungal_species": [ "[query-hint] Suillus" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL470057", "chembl_molecule_pref_name": "BOLETININ F", "target_chembl_id": "CHEMBL1929", "target_pref_name": "Xanthine dehydrogenase/oxidase", "standard_type": "Inhibition", "standard_value": "8.0", "standard_units": "%", "pchembl_value": null, "assay_description": "Inhibition of XOD at 125 uM relative to control", "document_year": 2004, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Suillus==Suillus" ] }, { "inchikey": "CLOPQFCHWDTGFD-UHFFFAOYSA-N", "compound_name": "2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraene-1,16-diol", "molecular_formula": "C20H34O2", "fungal_species": [ "[query-hint] Suillus" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL471477", "chembl_molecule_pref_name": null, "target_chembl_id": "CHEMBL1929", "target_pref_name": "Xanthine dehydrogenase/oxidase", "standard_type": "Inhibition", "standard_value": "9.0", "standard_units": "%", "pchembl_value": null, "assay_description": "Inhibition of XOD at 125 uM relative to control", "document_year": 2004, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Suillus==Suillus" ] }, { "inchikey": "CLOPQFCHWDTGFD-BMTMAWCHSA-N", "compound_name": "ω-hydroxygeranylgeraniol", "molecular_formula": "C20H34O2", "fungal_species": [ "[query-hint] Suillus" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL471477", "chembl_molecule_pref_name": null, "target_chembl_id": "CHEMBL1929", "target_pref_name": "Xanthine dehydrogenase/oxidase", "standard_type": "Inhibition", "standard_value": "9.0", "standard_units": "%", "pchembl_value": null, "assay_description": "Inhibition of XOD at 125 uM relative to control", "document_year": 2004, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Suillus==Suillus" ] }, { "inchikey": "QAIPRVGONGVQAS-UHFFFAOYSA-N", "compound_name": "caffeic acid", "molecular_formula": "C9H8O4", "fungal_species": [ "[query-hint] Inonotus", "[query-hint] Inonotus obliquus", "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL145", "chembl_molecule_pref_name": "CAFFEIC ACID", "target_chembl_id": "CHEMBL1929", "target_pref_name": "Xanthine dehydrogenase/oxidase", "standard_type": "Inhibition", "standard_value": "18.0", "standard_units": "%", "pchembl_value": null, "assay_description": "Compound was evaluated for inhibition of xanthine oxidase", "document_year": 1996, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Inonotus==Inonotus", "INCLUDE:Inonotus obliquus==Inonotus obliquus", "INCLUDE:Phellinus==Phellinus" ] }, { "inchikey": "QAIPRVGONGVQAS-DUXPYHPUSA-N", "compound_name": "3,4-dihydroxycinnamic acid", "molecular_formula": "C9H8O4", "fungal_species": [ "[query-hint] Inonotus", "[query-hint] Inonotus obliquus", "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL145", "chembl_molecule_pref_name": "CAFFEIC ACID", "target_chembl_id": "CHEMBL1929", "target_pref_name": "Xanthine dehydrogenase/oxidase", "standard_type": "Inhibition", "standard_value": "18.0", "standard_units": "%", "pchembl_value": null, "assay_description": "Compound was evaluated for inhibition of xanthine oxidase", "document_year": 1996, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Inonotus==Inonotus", "INCLUDE:Inonotus obliquus==Inonotus obliquus", "INCLUDE:Phellinus==Phellinus" ] }, { "inchikey": "RGDGFPUBWJTQHJ-UHFFFAOYSA-N", "compound_name": "16-[(3-carboxy-2-methylprop-2-enoyl)oxy]-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraenoic acid", "molecular_formula": "C25H36O6", "fungal_species": [ "[query-hint] Suillus" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL471069", "chembl_molecule_pref_name": "BOLETININ J", "target_chembl_id": "CHEMBL1929", "target_pref_name": "Xanthine dehydrogenase/oxidase", "standard_type": "Inhibition", "standard_value": "20.0", "standard_units": "%", "pchembl_value": null, "assay_description": "Inhibition of XOD at 125 uM relative to control", "document_year": 2004, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Suillus==Suillus" ] }, { "inchikey": "RGDGFPUBWJTQHJ-PDNWEOCDSA-N", "compound_name": "(2e,6e,14e)-16-{[(2e)-3-carboxy-2-methylprop-2-enoyl]oxy}-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraenoic acid", "molecular_formula": "C25H36O6", "fungal_species": [ "[query-hint] Suillus" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL471069", "chembl_molecule_pref_name": "BOLETININ J", "target_chembl_id": "CHEMBL1929", "target_pref_name": "Xanthine dehydrogenase/oxidase", "standard_type": "Inhibition", "standard_value": "20.0", "standard_units": "%", "pchembl_value": null, "assay_description": "Inhibition of XOD at 125 uM relative to control", "document_year": 2004, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Suillus==Suillus" ] }, { "inchikey": "RGDGFPUBWJTQHJ-HGJUBKMSSA-N", "compound_name": "(2e,6e,10e,14e)-16-{[(2e)-3-carboxy-2-methylprop-2-enoyl]oxy}-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraenoic acid", "molecular_formula": "C25H36O6", "fungal_species": [ "[query-hint] Suillus" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL471069", "chembl_molecule_pref_name": "BOLETININ J", "target_chembl_id": "CHEMBL1929", "target_pref_name": "Xanthine dehydrogenase/oxidase", "standard_type": "Inhibition", "standard_value": "20.0", "standard_units": "%", 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"16-[(3-carboxyprop-2-enoyl)oxy]-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraenoic acid", "molecular_formula": "C24H34O6", "fungal_species": [ "[query-hint] Suillus" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL470869", "chembl_molecule_pref_name": "BOLETININ H", "target_chembl_id": "CHEMBL1929", "target_pref_name": "Xanthine dehydrogenase/oxidase", "standard_type": "Inhibition", "standard_value": "33.0", "standard_units": "%", "pchembl_value": null, "assay_description": "Inhibition of XOD at 125 uM relative to control", "document_year": 2004, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Suillus==Suillus" ] }, { "inchikey": "ZGKBVLVSZSECNY-RQXZJTJCSA-N", "compound_name": "(2e,6e,14e)-16-{[(2e)-3-carboxyprop-2-enoyl]oxy}-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraenoic acid", "molecular_formula": "C24H34O6", "fungal_species": [ "[query-hint] Suillus" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL470869", "chembl_molecule_pref_name": "BOLETININ H", "target_chembl_id": "CHEMBL1929", "target_pref_name": "Xanthine dehydrogenase/oxidase", "standard_type": "Inhibition", "standard_value": "33.0", "standard_units": "%", "pchembl_value": null, "assay_description": "Inhibition of XOD at 125 uM relative to control", "document_year": 2004, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Suillus==Suillus" ] }, { "inchikey": "ZGKBVLVSZSECNY-PAUNICHOSA-N", "compound_name": "(2e,6e,10e,14e)-16-{[(2e)-3-carboxyprop-2-enoyl]oxy}-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraenoic acid", "molecular_formula": "C24H34O6", "fungal_species": [ "[query-hint] Suillus" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL470869", "chembl_molecule_pref_name": "BOLETININ H", "target_chembl_id": "CHEMBL1929", "target_pref_name": "Xanthine dehydrogenase/oxidase", "standard_type": "Inhibition", "standard_value": "33.0", "standard_units": "%", "pchembl_value": null, "assay_description": "Inhibition of XOD at 125 uM relative to control", "document_year": 2004, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Suillus==Suillus" ] }, { "inchikey": "REFJWTPEDVJJIY-UHFFFAOYSA-N", "compound_name": "quercetin", "molecular_formula": "C15H10O7", "fungal_species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL50", "chembl_molecule_pref_name": "QUERCETIN", "target_chembl_id": "CHEMBL1929", "target_pref_name": "Xanthine dehydrogenase/oxidase", "standard_type": "Inhibition", "standard_value": "50.0", "standard_units": "%", "pchembl_value": null, "assay_description": "Inhibition of xanthine oxidase (unknown origin) using xanthine as substrate at 33 to 100 umol/L after 10 mins by HPLC method relative to control", "document_year": 2015, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, { "inchikey": "GFFGJBXGBJISGV-UHFFFAOYSA-N", "compound_name": "leucon", "molecular_formula": "C5H5N5", "fungal_species": [ "[query-hint] Coprinopsis", "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps", "[query-hint] Russula", "[query-hint] Saccharomyces cerevisiae" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL226345", "chembl_molecule_pref_name": "ADENINE", "target_chembl_id": "CHEMBL1929", "target_pref_name": "Xanthine dehydrogenase/oxidase", "standard_type": "Inhibition", "standard_value": "61.3", "standard_units": "%", "pchembl_value": null, "assay_description": "Inhibition of human xanthine oxidase at 30 uM", "document_year": 2007, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Coprinopsis==Coprinopsis", "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps", "INCLUDE:Russula==Russula", "INCLUDE:Saccharomyces cerevisiae==Saccharomyces cerevisiae" ] }, { "inchikey": "REFJWTPEDVJJIY-UHFFFAOYSA-N", "compound_name": "quercetin", "molecular_formula": "C15H10O7", "fungal_species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL50", "chembl_molecule_pref_name": "QUERCETIN", "target_chembl_id": "CHEMBL1929", "target_pref_name": "Xanthine dehydrogenase/oxidase", "standard_type": "Inhibition", "standard_value": "72.0", "standard_units": "%", "pchembl_value": null, "assay_description": "Inhibition of XOD at 125 uM relative to control", "document_year": 2004, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, { "inchikey": "REFJWTPEDVJJIY-UHFFFAOYSA-N", "compound_name": "quercetin", "molecular_formula": "C15H10O7", "fungal_species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL50", "chembl_molecule_pref_name": "QUERCETIN", "target_chembl_id": "CHEMBL1929", "target_pref_name": "Xanthine dehydrogenase/oxidase", "standard_type": "Ki", "standard_value": "280.0", "standard_units": "nM", "pchembl_value": "6.55", "assay_description": "Inhibition of xanthine oxidase (unknown origin) at 37 degC at ph 7..8", "document_year": 2014, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, { "inchikey": "REFJWTPEDVJJIY-UHFFFAOYSA-N", "compound_name": "quercetin", "molecular_formula": "C15H10O7", "fungal_species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL50", "chembl_molecule_pref_name": "QUERCETIN", "target_chembl_id": "CHEMBL1929", "target_pref_name": "Xanthine dehydrogenase/oxidase", "standard_type": "IC50", "standard_value": "400.0", "standard_units": "nM", "pchembl_value": "6.40", "assay_description": "Inhibition of XO (unknown origin)", "document_year": 2023, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, { "inchikey": "REFJWTPEDVJJIY-UHFFFAOYSA-N", "compound_name": "quercetin", "molecular_formula": "C15H10O7", "fungal_species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL50", "chembl_molecule_pref_name": "QUERCETIN", "target_chembl_id": "CHEMBL1929", "target_pref_name": "Xanthine dehydrogenase/oxidase", "standard_type": "IC50", "standard_value": "2620.0", "standard_units": "nM", "pchembl_value": "5.58", "assay_description": "Inhibition of xanthine oxidase assessed as decrease in uric acid production by spectrophotometry", "document_year": 1998, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, { "inchikey": "REFJWTPEDVJJIY-UHFFFAOYSA-N", "compound_name": "quercetin", "molecular_formula": "C15H10O7", "fungal_species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL50", "chembl_molecule_pref_name": "QUERCETIN", "target_chembl_id": "CHEMBL1929", "target_pref_name": "Xanthine dehydrogenase/oxidase", "standard_type": "IC50", "standard_value": "3000.0", "standard_units": "nM", "pchembl_value": "5.52", "assay_description": "Inhibition of xanthine oxidase-mediated formation of uric acid by spectrophotometry", "document_year": 2002, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, { "inchikey": "REFJWTPEDVJJIY-UHFFFAOYSA-N", "compound_name": "quercetin", "molecular_formula": "C15H10O7", "fungal_species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL50", "chembl_molecule_pref_name": "QUERCETIN", "target_chembl_id": "CHEMBL1929", "target_pref_name": "Xanthine dehydrogenase/oxidase", "standard_type": "IC50", "standard_value": "3500.0", "standard_units": "nM", "pchembl_value": "5.46", "assay_description": "Inhibition of xanthine oxidase (unknown origin) using xanthine as substrate assessed as inhibition of uric acid formation after 30 mins by spectrophotometric method", "document_year": 2016, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, { "inchikey": "TZBJGXHYKVUXJN-UHFFFAOYSA-N", "compound_name": "genistein", "molecular_formula": "C15H10O5", "fungal_species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL44", "chembl_molecule_pref_name": "GENISTEIN", "target_chembl_id": "CHEMBL1929", "target_pref_name": "Xanthine dehydrogenase/oxidase", "standard_type": "IC50", "standard_value": "3530.0", "standard_units": "nM", "pchembl_value": "5.45", "assay_description": "Inhibition of XO (unknown origin)", "document_year": 2023, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, { "inchikey": "REFJWTPEDVJJIY-UHFFFAOYSA-N", "compound_name": "quercetin", "molecular_formula": "C15H10O7", "fungal_species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL50", "chembl_molecule_pref_name": "QUERCETIN", "target_chembl_id": "CHEMBL1929", "target_pref_name": "Xanthine dehydrogenase/oxidase", "standard_type": "IC50", "standard_value": "6000.0", "standard_units": "nM", "pchembl_value": "5.22", "assay_description": "The antioxidant activity of the synthesized benzofuran amidated derivative is evaluated by DPPH free radical scavenging experiment.: 12.1 Preparation of Reagents and Standard Solutions(1) Preparation of DPPH solution: accurately weigh the appropriate", "document_year": 2021, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, { "inchikey": "YXOLAZRVSSWPPT-UHFFFAOYSA-N", "compound_name": "bois d,arc", "molecular_formula": "C15H10O7", "fungal_species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL28626", "chembl_molecule_pref_name": "MORIN", "target_chembl_id": "CHEMBL1929", "target_pref_name": "Xanthine dehydrogenase/oxidase", "standard_type": "IC50", "standard_value": "10100.0", "standard_units": "nM", "pchembl_value": "5.00", "assay_description": "Inhibition of xanthine oxidase assessed as decrease in uric acid production by spectrophotometry", "document_year": 1998, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, { "inchikey": "GFFGJBXGBJISGV-UHFFFAOYSA-N", "compound_name": "leucon", "molecular_formula": "C5H5N5", "fungal_species": [ "[query-hint] Coprinopsis", "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps", "[query-hint] Russula", "[query-hint] Saccharomyces cerevisiae" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL226345", "chembl_molecule_pref_name": "ADENINE", "target_chembl_id": "CHEMBL1929", "target_pref_name": "Xanthine dehydrogenase/oxidase", "standard_type": "IC50", "standard_value": "10890.0", "standard_units": "nM", "pchembl_value": "4.96", "assay_description": "Inhibition of human xanthine oxidase", "document_year": 2007, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Coprinopsis==Coprinopsis", "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps", "INCLUDE:Russula==Russula", "INCLUDE:Saccharomyces cerevisiae==Saccharomyces cerevisiae" ] }, { "inchikey": "DDKGKOOLFLYZDL-UHFFFAOYSA-N", "compound_name": "3',4',7-trihydroxyisoflavone", "molecular_formula": "C15H10O5", "fungal_species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL13486", "chembl_molecule_pref_name": null, "target_chembl_id": "CHEMBL1929", "target_pref_name": "Xanthine dehydrogenase/oxidase", "standard_type": "IC50", "standard_value": "16800.0", "standard_units": "nM", "pchembl_value": "4.78", "assay_description": "Inhibition of xanthine oxidase assessed as decrease of superoxide generation", "document_year": 2008, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, { "inchikey": "HFPQKJMLIONCGP-UHFFFAOYSA-N", "compound_name": "heminigerone", "molecular_formula": "C16H14O5", "fungal_species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL469613", "chembl_molecule_pref_name": "RUBROFUSARIN B", "target_chembl_id": "CHEMBL1929", "target_pref_name": "Xanthine dehydrogenase/oxidase", "standard_type": "IC50", "standard_value": "16800.0", "standard_units": "nM", "pchembl_value": "4.78", "assay_description": "Inhibition of xanthine oxidase", "document_year": 2005, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, { "inchikey": "FFNPXDMNZBCNMN-UHFFFAOYSA-N", "compound_name": "fonsecinone a", "molecular_formula": "C32H26O10", "fungal_species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL451678", "chembl_molecule_pref_name": "FONSECINONE A", "target_chembl_id": "CHEMBL1929", "target_pref_name": "Xanthine dehydrogenase/oxidase", "standard_type": "IC50", "standard_value": "19500.0", "standard_units": "nM", "pchembl_value": "4.71", "assay_description": "Inhibition of xanthine oxidase", "document_year": 2005, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, { "inchikey": "YXOLAZRVSSWPPT-UHFFFAOYSA-N", "compound_name": "bois d,arc", "molecular_formula": "C15H10O7", "fungal_species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL28626", "chembl_molecule_pref_name": "MORIN", "target_chembl_id": "CHEMBL1929", "target_pref_name": "Xanthine dehydrogenase/oxidase", "standard_type": "IC50", "standard_value": "25000.0", "standard_units": "nM", "pchembl_value": "4.60", "assay_description": "Inhibition of XOD (unknown origin)", "document_year": 2023, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, { "inchikey": "COLNVLDHVKWLRT-UHFFFAOYSA-N", "compound_name": "phenylalanin", "molecular_formula": "C9H11NO2", "fungal_species": [ "[query-hint] Hypholoma", "[query-hint] Saccharomyces cerevisiae" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL301523", "chembl_molecule_pref_name": "PHENYLALANINE", "target_chembl_id": "CHEMBL1929", "target_pref_name": "Xanthine dehydrogenase/oxidase", "standard_type": "IC50", "standard_value": "60000.0", "standard_units": "nM", "pchembl_value": null, "assay_description": "Determination of Xanthine Oxidase Inhibitory Activity of Aryl Benzofuran Amidated Derivatives and Reagents (Amino Derivatives): 11.1 Preparation of Reagents and Standard Solutions(1) 75 mM phosphate buffer (PB, pH 7.4): containing KH2PO4 0.0956 g, K2", "document_year": 2021, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Hypholoma==Hypholoma", "INCLUDE:Saccharomyces cerevisiae==Saccharomyces cerevisiae" ] }, { "inchikey": "COLNVLDHVKWLRT-QMMMGPOBSA-N", "compound_name": "l-phenylalanine", "molecular_formula": "C9H11NO2", "fungal_species": [ "[query-hint] Hypholoma", "[query-hint] Saccharomyces cerevisiae", "[query-hint] Volvariella" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL301523", "chembl_molecule_pref_name": "PHENYLALANINE", "target_chembl_id": "CHEMBL1929", "target_pref_name": "Xanthine dehydrogenase/oxidase", "standard_type": "IC50", "standard_value": "60000.0", "standard_units": "nM", "pchembl_value": null, "assay_description": "Determination of Xanthine Oxidase Inhibitory Activity of Aryl Benzofuran Amidated Derivatives and Reagents (Amino Derivatives): 11.1 Preparation of Reagents and Standard Solutions(1) 75 mM phosphate buffer (PB, pH 7.4): containing KH2PO4 0.0956 g, K2", "document_year": 2021, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Hypholoma==Hypholoma", "INCLUDE:Saccharomyces cerevisiae==Saccharomyces cerevisiae", "INCLUDE:Volvariella==Volvariella" ] }, { "inchikey": "COLNVLDHVKWLRT-MRVPVSSYSA-N", "compound_name": "d-phenylalanine", "molecular_formula": "C9H11NO2", "fungal_species": [ "[query-hint] Agaricus", "[query-hint] Flammulina" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL301523", "chembl_molecule_pref_name": "PHENYLALANINE", "target_chembl_id": "CHEMBL1929", "target_pref_name": "Xanthine dehydrogenase/oxidase", "standard_type": "IC50", "standard_value": "60000.0", "standard_units": "nM", "pchembl_value": null, "assay_description": "Determination of Xanthine Oxidase Inhibitory Activity of Aryl Benzofuran Amidated Derivatives and Reagents (Amino Derivatives): 11.1 Preparation of Reagents and Standard Solutions(1) 75 mM phosphate buffer (PB, pH 7.4): containing KH2PO4 0.0956 g, K2", "document_year": 2021, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus", "INCLUDE:Flammulina==Flammulina" ] }, { "inchikey": "QNAYBMKLOCPYGJ-UHFFFAOYSA-N", "compound_name": "alanine", "molecular_formula": "C3H7NO2", "fungal_species": [ "[query-hint] Hypholoma", "[query-hint] Lentinula", "[query-hint] Saccharomyces cerevisiae", "[query-hint] Volvariella" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL279597", "chembl_molecule_pref_name": "ALANINE", "target_chembl_id": "CHEMBL1929", "target_pref_name": "Xanthine dehydrogenase/oxidase", "standard_type": "IC50", "standard_value": "60000.0", "standard_units": "nM", "pchembl_value": null, "assay_description": "Determination of Xanthine Oxidase Inhibitory Activity of Aryl Benzofuran Amidated Derivatives and Reagents (Amino Derivatives): 11.1 Preparation of Reagents and Standard Solutions(1) 75 mM phosphate buffer (PB, pH 7.4): containing KH2PO4 0.0956 g, K2", "document_year": 2021, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Hypholoma==Hypholoma", "INCLUDE:Lentinula==Lentinula", "INCLUDE:Saccharomyces cerevisiae==Saccharomyces cerevisiae", "INCLUDE:Volvariella==Volvariella" ] }, { "inchikey": "QNAYBMKLOCPYGJ-UWTATZPHSA-N", "compound_name": "d-alanine", "molecular_formula": "C3H7NO2", "fungal_species": [ "[query-hint] Agaricus", "[query-hint] Flammulina", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum", "[query-hint] Pleurotus", "[query-hint] Pleurotus ostreatus" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL279597", "chembl_molecule_pref_name": "ALANINE", "target_chembl_id": "CHEMBL1929", "target_pref_name": "Xanthine dehydrogenase/oxidase", "standard_type": "IC50", "standard_value": "60000.0", "standard_units": "nM", "pchembl_value": null, "assay_description": "Determination of Xanthine Oxidase Inhibitory Activity of Aryl Benzofuran Amidated Derivatives and Reagents (Amino Derivatives): 11.1 Preparation of Reagents and Standard Solutions(1) 75 mM phosphate buffer (PB, pH 7.4): containing KH2PO4 0.0956 g, K2", "document_year": 2021, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus", "INCLUDE:Flammulina==Flammulina", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Pleurotus==Pleurotus" ] }, { "inchikey": "QNAYBMKLOCPYGJ-REOHCLBHSA-N", "compound_name": "l-alanine", "molecular_formula": "C3H7NO2", "fungal_species": [ "[query-hint] Agaricus", "[query-hint] Flammulina", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum", "[query-hint] Hypholoma", "[query-hint] Lentinula" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL279597", "chembl_molecule_pref_name": "ALANINE", "target_chembl_id": "CHEMBL1929", "target_pref_name": "Xanthine dehydrogenase/oxidase", "standard_type": "IC50", "standard_value": "60000.0", "standard_units": "nM", "pchembl_value": null, "assay_description": "Determination of Xanthine Oxidase Inhibitory Activity of Aryl Benzofuran Amidated Derivatives and Reagents (Amino Derivatives): 11.1 Preparation of Reagents and Standard Solutions(1) 75 mM phosphate buffer (PB, pH 7.4): containing KH2PO4 0.0956 g, K2", "document_year": 2021, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus", "INCLUDE:Flammulina==Flammulina", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Hypholoma==Hypholoma" ] }, { "inchikey": "QIVBCDIJIAJPQS-UHFFFAOYSA-N", "compound_name": "optimax", "molecular_formula": "C11H12N2O2", "fungal_species": [ "[query-hint] Hypholoma", "[query-hint] Saccharomyces cerevisiae" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL54976", "chembl_molecule_pref_name": "TRYPTOPHAN", "target_chembl_id": "CHEMBL1929", "target_pref_name": "Xanthine dehydrogenase/oxidase", "standard_type": "IC50", "standard_value": "60000.0", "standard_units": "nM", "pchembl_value": null, "assay_description": "Determination of Xanthine Oxidase Inhibitory Activity of Aryl Benzofuran Amidated Derivatives and Reagents (Amino Derivatives): 11.1 Preparation of Reagents and Standard Solutions(1) 75 mM phosphate buffer (PB, pH 7.4): containing KH2PO4 0.0956 g, K2", "document_year": 2021, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Hypholoma==Hypholoma", "INCLUDE:Saccharomyces cerevisiae==Saccharomyces cerevisiae" ] }, { "inchikey": "QIVBCDIJIAJPQS-VIFPVBQESA-N", "compound_name": "l-tryptophan", "molecular_formula": "C11H12N2O2", "fungal_species": [ "[query-hint] Hypholoma" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL54976", "chembl_molecule_pref_name": "TRYPTOPHAN", "target_chembl_id": "CHEMBL1929", "target_pref_name": "Xanthine dehydrogenase/oxidase", "standard_type": "IC50", "standard_value": "60000.0", "standard_units": "nM", "pchembl_value": null, "assay_description": "Determination of Xanthine Oxidase Inhibitory Activity of Aryl Benzofuran Amidated Derivatives and Reagents (Amino Derivatives): 11.1 Preparation of Reagents and Standard Solutions(1) 75 mM phosphate buffer (PB, pH 7.4): containing KH2PO4 0.0956 g, K2", "document_year": 2021, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Hypholoma==Hypholoma" ] }, { "inchikey": "OUYCCCASQSFEME-UHFFFAOYSA-N", "compound_name": "tyrosin", "molecular_formula": "C9H11NO3", "fungal_species": [ "[query-hint] Saccharomyces cerevisiae" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL925", "chembl_molecule_pref_name": "TYROSINE", "target_chembl_id": "CHEMBL1929", "target_pref_name": "Xanthine dehydrogenase/oxidase", "standard_type": "IC50", "standard_value": "60000.0", "standard_units": "nM", "pchembl_value": null, "assay_description": "Determination of Xanthine Oxidase Inhibitory Activity of Aryl Benzofuran Amidated Derivatives and Reagents (Amino Derivatives): 11.1 Preparation of Reagents and Standard Solutions(1) 75 mM phosphate buffer (PB, pH 7.4): containing KH2PO4 0.0956 g, K2", "document_year": 2021, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Saccharomyces cerevisiae==Saccharomyces cerevisiae" ] }, { "inchikey": "OUYCCCASQSFEME-QMMMGPOBSA-N", "compound_name": "l-tyrosine", "molecular_formula": "C9H11NO3", "fungal_species": [ "[query-hint] Agaricus", "[query-hint] Flammulina", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL925", "chembl_molecule_pref_name": "TYROSINE", "target_chembl_id": "CHEMBL1929", "target_pref_name": "Xanthine dehydrogenase/oxidase", "standard_type": "IC50", "standard_value": "60000.0", "standard_units": "nM", "pchembl_value": null, "assay_description": "Determination of Xanthine Oxidase Inhibitory Activity of Aryl Benzofuran Amidated Derivatives and Reagents (Amino Derivatives): 11.1 Preparation of Reagents and Standard Solutions(1) 75 mM phosphate buffer (PB, pH 7.4): containing KH2PO4 0.0956 g, K2", "document_year": 2021, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus", "INCLUDE:Flammulina==Flammulina", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, { "inchikey": "FFEARJCKVFRZRR-SCSAIBSYSA-N", "compound_name": "d-methionine", "molecular_formula": "C5H11NO2S", "fungal_species": [ "[query-hint] Agaricus", "[query-hint] Flammulina", "[query-hint] Saccharomyces cerevisiae" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL42336", "chembl_molecule_pref_name": "METHIONINE", "target_chembl_id": "CHEMBL1929", "target_pref_name": "Xanthine dehydrogenase/oxidase", "standard_type": "IC50", "standard_value": "60000.0", "standard_units": "nM", "pchembl_value": null, "assay_description": "Determination of Xanthine Oxidase Inhibitory Activity of Aryl Benzofuran Amidated Derivatives and Reagents (Amino Derivatives): 11.1 Preparation of Reagents and Standard Solutions(1) 75 mM phosphate buffer (PB, pH 7.4): containing KH2PO4 0.0956 g, K2", "document_year": 2021, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus", "INCLUDE:Flammulina==Flammulina", "INCLUDE:Saccharomyces cerevisiae==Saccharomyces cerevisiae" ] }, { "inchikey": "FFEARJCKVFRZRR-UHFFFAOYSA-N", "compound_name": "methionin", "molecular_formula": "C5H11NO2S", "fungal_species": [ "[query-hint] Saccharomyces cerevisiae" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL42336", "chembl_molecule_pref_name": "METHIONINE", "target_chembl_id": "CHEMBL1929", "target_pref_name": "Xanthine dehydrogenase/oxidase", "standard_type": "IC50", "standard_value": "60000.0", "standard_units": "nM", "pchembl_value": null, "assay_description": "Determination of Xanthine Oxidase Inhibitory Activity of Aryl Benzofuran Amidated Derivatives and Reagents (Amino Derivatives): 11.1 Preparation of Reagents and Standard Solutions(1) 75 mM phosphate buffer (PB, pH 7.4): containing KH2PO4 0.0956 g, K2", "document_year": 2021, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Saccharomyces cerevisiae==Saccharomyces cerevisiae" ] }, { "inchikey": "FFEARJCKVFRZRR-BYPYZUCNSA-N", "compound_name": "l-methionine", "molecular_formula": "C5H11NO2S", "fungal_species": [ "[query-hint] Agaricus", "[query-hint] Flammulina", "[query-hint] Volvariella" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL42336", "chembl_molecule_pref_name": "METHIONINE", "target_chembl_id": "CHEMBL1929", "target_pref_name": "Xanthine dehydrogenase/oxidase", "standard_type": "IC50", "standard_value": "60000.0", "standard_units": "nM", "pchembl_value": null, "assay_description": "Determination of Xanthine Oxidase Inhibitory Activity of Aryl Benzofuran Amidated Derivatives and Reagents (Amino Derivatives): 11.1 Preparation of Reagents and Standard Solutions(1) 75 mM phosphate buffer (PB, pH 7.4): containing KH2PO4 0.0956 g, K2", "document_year": 2021, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus", "INCLUDE:Flammulina==Flammulina", "INCLUDE:Volvariella==Volvariella" ] }, { "inchikey": "TZBJGXHYKVUXJN-UHFFFAOYSA-N", "compound_name": "genistein", "molecular_formula": "C15H10O5", "fungal_species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL44", "chembl_molecule_pref_name": "GENISTEIN", "target_chembl_id": "CHEMBL1929", "target_pref_name": "Xanthine dehydrogenase/oxidase", "standard_type": "IC50", "standard_value": "232500.0", "standard_units": "nM", "pchembl_value": null, "assay_description": "Inhibition of xanthine oxidase assessed as decrease of superoxide generation", "document_year": 2008, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, { "inchikey": "ZQSIJRDFPHDXIC-UHFFFAOYSA-N", "compound_name": "Daidzein", "molecular_formula": "C15H10O4", "fungal_species": [ "[npatlas-query] Hericium", "[query-hint] Cordyceps sinensis", "[query-hint] Hericium", "[query-hint] Hericium erinaceus", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "chembl_molecule_id": "CHEMBL8145", "chembl_molecule_pref_name": "DAIDZEIN", "target_chembl_id": "CHEMBL1929", "target_pref_name": "Xanthine dehydrogenase/oxidase", "standard_type": "IC50", "standard_value": "429800.0", "standard_units": "nM", "pchembl_value": null, "assay_description": "Inhibition of xanthine oxidase assessed as decrease of superoxide generation", "document_year": 2008, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Hericium", "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "GREY:Hericium", "INCLUDE:Hericium erinaceus==Hericium erinaceus", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, { "inchikey": "PVNIIMVLHYAWGP-UHFFFAOYSA-N", "compound_name": "niacin", "molecular_formula": "C6H5NO2", "fungal_species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps", "[query-hint] Pleurotus" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL573", "chembl_molecule_pref_name": "NIACIN", "target_chembl_id": "CHEMBL1929", "target_pref_name": "Xanthine dehydrogenase/oxidase", "standard_type": "IC50", "standard_value": "518230.0", "standard_units": "nM", "pchembl_value": null, "assay_description": "Inhibition of xanthine oxidase (unknown origin)", "document_year": 2017, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps", "INCLUDE:Pleurotus==Pleurotus" ] }, { "inchikey": "DXYUAIFZCFRPTH-UHFFFAOYSA-N", "compound_name": "glycitein", "molecular_formula": "C16H12O5", "fungal_species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL513024", "chembl_molecule_pref_name": "GLYCITEIN", "target_chembl_id": "CHEMBL1929", "target_pref_name": "Xanthine dehydrogenase/oxidase", "standard_type": "IC50", "standard_value": "682600.0", "standard_units": "nM", "pchembl_value": null, "assay_description": "Inhibition of xanthine oxidase assessed as decrease of superoxide generation", "document_year": 2008, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, { "inchikey": "DDKGKOOLFLYZDL-UHFFFAOYSA-N", "compound_name": "3',4',7-trihydroxyisoflavone", "molecular_formula": "C15H10O5", "fungal_species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL13486", "chembl_molecule_pref_name": null, "target_chembl_id": "CHEMBL1929", "target_pref_name": "Xanthine dehydrogenase/oxidase", "standard_type": "IC50", "standard_value": "1000000.0", "standard_units": "nM", "pchembl_value": null, "assay_description": "Inhibition of xanthine oxidase assessed as decrease of uric acid generation", "document_year": 2008, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, { "inchikey": "ZQSIJRDFPHDXIC-UHFFFAOYSA-N", "compound_name": "Daidzein", "molecular_formula": "C15H10O4", "fungal_species": [ "[npatlas-query] Hericium", "[query-hint] Cordyceps sinensis", "[query-hint] Hericium", "[query-hint] Hericium erinaceus", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "chembl_molecule_id": "CHEMBL8145", "chembl_molecule_pref_name": "DAIDZEIN", "target_chembl_id": "CHEMBL1929", "target_pref_name": "Xanthine dehydrogenase/oxidase", "standard_type": "IC50", "standard_value": "1000000.0", "standard_units": "nM", "pchembl_value": null, "assay_description": "Inhibition of xanthine oxidase assessed as decrease of uric acid generation", "document_year": 2008, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Hericium", "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "GREY:Hericium", "INCLUDE:Hericium erinaceus==Hericium erinaceus", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, { "inchikey": "DXYUAIFZCFRPTH-UHFFFAOYSA-N", "compound_name": "glycitein", "molecular_formula": "C16H12O5", "fungal_species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL513024", "chembl_molecule_pref_name": "GLYCITEIN", "target_chembl_id": "CHEMBL1929", "target_pref_name": "Xanthine dehydrogenase/oxidase", "standard_type": "IC50", "standard_value": "1000000.0", "standard_units": "nM", "pchembl_value": null, "assay_description": "Inhibition of xanthine oxidase assessed as decrease of uric acid generation", "document_year": 2008, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, { "inchikey": "TZBJGXHYKVUXJN-UHFFFAOYSA-N", "compound_name": "genistein", "molecular_formula": "C15H10O5", "fungal_species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL44", "chembl_molecule_pref_name": "GENISTEIN", "target_chembl_id": "CHEMBL1929", "target_pref_name": "Xanthine dehydrogenase/oxidase", "standard_type": "IC50", "standard_value": "1000000.0", "standard_units": "nM", "pchembl_value": null, "assay_description": "Inhibition of xanthine oxidase assessed as decrease of uric acid generation", "document_year": 2008, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, { "inchikey": "REFJWTPEDVJJIY-UHFFFAOYSA-N", "compound_name": "quercetin", "molecular_formula": "C15H10O7", "fungal_species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL50", "chembl_molecule_pref_name": "QUERCETIN", "target_chembl_id": "CHEMBL1929", "target_pref_name": "Xanthine dehydrogenase/oxidase", "standard_type": "Inhibition", "standard_value": null, "standard_units": "%", "pchembl_value": null, "assay_description": "Inhibition of xanthine oxidase assessed as reduction of uric acid production from xanthine at 10 to 50 uM preincubated for 15 mins measured after 30 mins by spectrophotometry", "document_year": 2011, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] } ], "NLRP3": [], "ASC": [], "CASP1": [ { "inchikey": "KACACYYTPVUKSL-BHYGNILZSA-N", "compound_name": "Berkeleyamide A", "molecular_formula": "C18H25NO3", "fungal_species": [ "[npatlas-query] Penicillium" ], "source_dbs": [ "NPAtlas" ], "chembl_molecule_id": "CHEMBL466565", "chembl_molecule_pref_name": "BERKELEYAMIDE A", "target_chembl_id": "CHEMBL4801", "target_pref_name": "Caspase-1", "standard_type": "IC50", "standard_value": "330.0", "standard_units": "nM", "pchembl_value": "6.48", "assay_description": "Inhibition of caspase 1", "document_year": 2008, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium" ] }, { "inchikey": "KYPWBBBOBAOGSQ-UHFFFAOYSA-N", "compound_name": "Berkeleyamide D", "molecular_formula": "C18H21NO5", "fungal_species": [ "[npatlas-query] Penicillium" ], "source_dbs": [ "NPAtlas" ], "chembl_molecule_id": "CHEMBL466747", "chembl_molecule_pref_name": "BERKELEYAMIDE D", "target_chembl_id": "CHEMBL4801", "target_pref_name": "Caspase-1", "standard_type": "IC50", "standard_value": "610.0", "standard_units": "nM", "pchembl_value": "6.21", "assay_description": "Inhibition of caspase 1", "document_year": 2008, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium" ] }, { "inchikey": "YZXBAPSDXZZRGB-DOFZRALJSA-N", "compound_name": "arachidonic acid", "molecular_formula": "C20H32O2", "fungal_species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL15594", "chembl_molecule_pref_name": "ARACHIDONIC ACID", "target_chembl_id": "CHEMBL4801", "target_pref_name": "Caspase-1", "standard_type": "Potency", "standard_value": "31622.8", "standard_units": "nM", "pchembl_value": "4.50", "assay_description": "PUBCHEM_BIOASSAY: qHTS Assay for Allosteric/Competitive Inhibitors of Caspase-1. (Class of assay: confirmatory) ", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, { "inchikey": "YXOLAZRVSSWPPT-UHFFFAOYSA-N", "compound_name": "bois d,arc", "molecular_formula": "C15H10O7", "fungal_species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL28626", "chembl_molecule_pref_name": "MORIN", "target_chembl_id": "CHEMBL4801", "target_pref_name": "Caspase-1", "standard_type": "Potency", "standard_value": "39810.7", "standard_units": "nM", "pchembl_value": "4.40", "assay_description": "PUBCHEM_BIOASSAY: qHTS Assay for Allosteric/Competitive Inhibitors of Caspase-1. (Class of assay: confirmatory) ", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, { "inchikey": "BJQHLKABXJIVAM-UHFFFAOYSA-N", "compound_name": "DEHP", "molecular_formula": "C24H38O4", "fungal_species": [ "[npatlas-query] Penicillium" ], "source_dbs": [ "NPAtlas" ], "chembl_molecule_id": "CHEMBL402794", "chembl_molecule_pref_name": "BIS(2-ETHYLHEXYL)PHTHALATE", "target_chembl_id": "CHEMBL4801", "target_pref_name": "Caspase-1", "standard_type": "IC50", "standard_value": null, "standard_units": null, "pchembl_value": null, "assay_description": "DRUGMATRIX: Protease, Caspase 1 enzyme inhibition (substrate: Ac-YVAD-AMC)", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium" ] }, { "inchikey": "BJQHLKABXJIVAM-UHFFFAOYSA-N", "compound_name": "DEHP", "molecular_formula": "C24H38O4", "fungal_species": [ "[npatlas-query] Penicillium" ], "source_dbs": [ "NPAtlas" ], "chembl_molecule_id": "CHEMBL402794", "chembl_molecule_pref_name": "BIS(2-ETHYLHEXYL)PHTHALATE", "target_chembl_id": "CHEMBL4801", "target_pref_name": "Caspase-1", "standard_type": "Ki", "standard_value": null, "standard_units": null, "pchembl_value": null, "assay_description": "DRUGMATRIX: Protease, Caspase 1 enzyme inhibition (substrate: Ac-YVAD-AMC)", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium" ] }, { "inchikey": "WPYMKLBDIGXBTP-UHFFFAOYSA-N", "compound_name": "benzoic acid", "molecular_formula": "C7H6O2", "fungal_species": [ "[query-hint] Pleurotus", "[query-hint] Pleurotus ostreatus" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL541", "chembl_molecule_pref_name": "BENZOIC ACID", "target_chembl_id": "CHEMBL4801", "target_pref_name": "Caspase-1", "standard_type": "IC50", "standard_value": null, "standard_units": null, "pchembl_value": null, "assay_description": "DRUGMATRIX: Protease, Caspase 1 enzyme inhibition (substrate: Ac-YVAD-AMC)", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Pleurotus==Pleurotus", "INCLUDE:Pleurotus ostreatus==Pleurotus" ] }, { "inchikey": "WPYMKLBDIGXBTP-UHFFFAOYSA-N", "compound_name": "benzoic acid", "molecular_formula": "C7H6O2", "fungal_species": [ "[query-hint] Pleurotus", "[query-hint] Pleurotus ostreatus" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL541", "chembl_molecule_pref_name": "BENZOIC ACID", "target_chembl_id": "CHEMBL4801", "target_pref_name": "Caspase-1", "standard_type": "Ki", "standard_value": null, "standard_units": null, "pchembl_value": null, "assay_description": "DRUGMATRIX: Protease, Caspase 1 enzyme inhibition (substrate: Ac-YVAD-AMC)", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Pleurotus==Pleurotus", "INCLUDE:Pleurotus ostreatus==Pleurotus" ] }, { "inchikey": "CIWBSHSKHKDKBQ-DUZGATOHSA-N", "compound_name": "D-Araboascorbic acid", "molecular_formula": "C6H8O6", "fungal_species": [ "[npatlas-query] Penicillium", "[query-hint] Flammulina", "[query-hint] Grifola" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "chembl_molecule_id": "CHEMBL196", "chembl_molecule_pref_name": "ASCORBIC ACID", "target_chembl_id": "CHEMBL4801", "target_pref_name": "Caspase-1", "standard_type": "IC50", "standard_value": null, "standard_units": null, "pchembl_value": null, "assay_description": "DRUGMATRIX: Protease, Caspase 1 enzyme inhibition (substrate: Ac-YVAD-AMC)", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Flammulina==Flammulina", "INCLUDE:Grifola==Grifola" ] }, { "inchikey": "CIWBSHSKHKDKBQ-DUZGATOHSA-N", "compound_name": "D-Araboascorbic acid", "molecular_formula": "C6H8O6", "fungal_species": [ "[npatlas-query] Penicillium", "[query-hint] Flammulina", "[query-hint] Grifola" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "chembl_molecule_id": "CHEMBL196", "chembl_molecule_pref_name": "ASCORBIC ACID", "target_chembl_id": "CHEMBL4801", "target_pref_name": "Caspase-1", "standard_type": "Ki", "standard_value": null, "standard_units": null, "pchembl_value": null, "assay_description": "DRUGMATRIX: Protease, Caspase 1 enzyme inhibition (substrate: Ac-YVAD-AMC)", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Flammulina==Flammulina", "INCLUDE:Grifola==Grifola" ] }, { "inchikey": "WVDDGKGOMKODPV-UHFFFAOYSA-N", "compound_name": "benzyl alcohol", "molecular_formula": "C7H8O", "fungal_species": [ "[query-hint] Agaricus", "[query-hint] Phallus", "[query-hint] Polyporus" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL720", "chembl_molecule_pref_name": "BENZYL ALCOHOL", "target_chembl_id": "CHEMBL4801", "target_pref_name": "Caspase-1", "standard_type": "IC50", "standard_value": null, "standard_units": null, "pchembl_value": null, "assay_description": "DRUGMATRIX: Protease, Caspase 1 enzyme inhibition (substrate: Ac-YVAD-AMC)", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus", "INCLUDE:Phallus==Phallus", "INCLUDE:Polyporus==Polyporus" ] }, { "inchikey": "WVDDGKGOMKODPV-UHFFFAOYSA-N", "compound_name": "benzyl alcohol", "molecular_formula": "C7H8O", "fungal_species": [ "[query-hint] Agaricus", "[query-hint] Phallus", "[query-hint] Polyporus" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL720", "chembl_molecule_pref_name": "BENZYL ALCOHOL", "target_chembl_id": "CHEMBL4801", "target_pref_name": "Caspase-1", "standard_type": "Ki", "standard_value": null, "standard_units": null, "pchembl_value": null, "assay_description": "DRUGMATRIX: Protease, Caspase 1 enzyme inhibition (substrate: Ac-YVAD-AMC)", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus", "INCLUDE:Phallus==Phallus", "INCLUDE:Polyporus==Polyporus" ] }, { "inchikey": "TZBJGXHYKVUXJN-UHFFFAOYSA-N", "compound_name": "genistein", "molecular_formula": "C15H10O5", "fungal_species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL44", "chembl_molecule_pref_name": "GENISTEIN", "target_chembl_id": "CHEMBL4801", "target_pref_name": "Caspase-1", "standard_type": "IC50", "standard_value": null, "standard_units": null, "pchembl_value": null, "assay_description": "DRUGMATRIX: Protease, Caspase 1 enzyme inhibition (substrate: Ac-YVAD-AMC)", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, { "inchikey": "TZBJGXHYKVUXJN-UHFFFAOYSA-N", "compound_name": "genistein", "molecular_formula": "C15H10O5", "fungal_species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL44", "chembl_molecule_pref_name": "GENISTEIN", "target_chembl_id": "CHEMBL4801", "target_pref_name": "Caspase-1", "standard_type": "Ki", "standard_value": null, "standard_units": null, "pchembl_value": null, "assay_description": "DRUGMATRIX: Protease, Caspase 1 enzyme inhibition (substrate: Ac-YVAD-AMC)", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, { "inchikey": "WEEGYLXZBRQIMU-UHFFFAOYSA-N", "compound_name": "1,8-Cineol", "molecular_formula": "C10H18O", "fungal_species": [ "Ganoderma lucidum" ], "source_dbs": [ "KNApSAcK" ], "chembl_molecule_id": "CHEMBL485259", "chembl_molecule_pref_name": "EUCALYPTOL", "target_chembl_id": "CHEMBL4801", "target_pref_name": "Caspase-1", "standard_type": "IC50", "standard_value": null, "standard_units": null, "pchembl_value": null, "assay_description": "DRUGMATRIX: Protease, Caspase 1 enzyme inhibition (substrate: Ac-YVAD-AMC)", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, { "inchikey": "WEEGYLXZBRQIMU-WAAGHKOSSA-N", "compound_name": "1,8-cineole", "molecular_formula": "C10H18O", "fungal_species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL485259", "chembl_molecule_pref_name": "EUCALYPTOL", "target_chembl_id": "CHEMBL4801", "target_pref_name": "Caspase-1", "standard_type": "IC50", "standard_value": null, "standard_units": null, "pchembl_value": null, "assay_description": "DRUGMATRIX: Protease, Caspase 1 enzyme inhibition (substrate: Ac-YVAD-AMC)", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, { "inchikey": "WEEGYLXZBRQIMU-UHFFFAOYSA-N", "compound_name": "1,8-Cineol", "molecular_formula": "C10H18O", "fungal_species": [ "Ganoderma lucidum" ], "source_dbs": [ "KNApSAcK" ], "chembl_molecule_id": "CHEMBL485259", "chembl_molecule_pref_name": "EUCALYPTOL", "target_chembl_id": "CHEMBL4801", "target_pref_name": "Caspase-1", "standard_type": "Ki", "standard_value": null, "standard_units": null, "pchembl_value": null, "assay_description": "DRUGMATRIX: Protease, Caspase 1 enzyme inhibition (substrate: Ac-YVAD-AMC)", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, { "inchikey": "WEEGYLXZBRQIMU-WAAGHKOSSA-N", "compound_name": "1,8-cineole", "molecular_formula": "C10H18O", "fungal_species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL485259", "chembl_molecule_pref_name": "EUCALYPTOL", "target_chembl_id": "CHEMBL4801", "target_pref_name": "Caspase-1", "standard_type": "Ki", "standard_value": null, "standard_units": null, "pchembl_value": null, "assay_description": "DRUGMATRIX: Protease, Caspase 1 enzyme inhibition (substrate: Ac-YVAD-AMC)", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, { "inchikey": "DDUHZTYCFQRHIY-OEWHWVHBSA-N", "compound_name": "Griseofulvin", "molecular_formula": "C17H17ClO6", "fungal_species": [ "[npatlas-query] Penicillium" ], "source_dbs": [ "NPAtlas" ], "chembl_molecule_id": "CHEMBL562", "chembl_molecule_pref_name": "GRISEOFULVIN", "target_chembl_id": "CHEMBL4801", "target_pref_name": "Caspase-1", "standard_type": "IC50", "standard_value": null, "standard_units": null, "pchembl_value": null, "assay_description": "DRUGMATRIX: Protease, Caspase 1 enzyme inhibition (substrate: Ac-YVAD-AMC)", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium" ] }, { "inchikey": "DDUHZTYCFQRHIY-OEWHWVHBSA-N", "compound_name": "Griseofulvin", "molecular_formula": "C17H17ClO6", "fungal_species": [ "[npatlas-query] Penicillium" ], "source_dbs": [ "NPAtlas" ], "chembl_molecule_id": "CHEMBL562", "chembl_molecule_pref_name": "GRISEOFULVIN", "target_chembl_id": "CHEMBL4801", "target_pref_name": "Caspase-1", "standard_type": "Ki", "standard_value": null, "standard_units": null, "pchembl_value": null, "assay_description": "DRUGMATRIX: Protease, Caspase 1 enzyme inhibition (substrate: Ac-YVAD-AMC)", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium" ] }, { "inchikey": "YPZRWBKMTBYPTK-BJDJZHNGSA-N", "compound_name": "(2s)-2-amino-4-{[(1r)-2-{[(2r)-2-{[(4s)-4-amino-4-carboxy-1-hydroxybutylidene]amino}-2-(carboxymethyl-c-hydroxycarbonimi", "molecular_formula": "C20H32N6O12S2", "fungal_species": [ "[query-hint] Flammulina" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL1372", "chembl_molecule_pref_name": "OXIGLUTATIONE", "target_chembl_id": "CHEMBL4801", "target_pref_name": "Caspase-1", "standard_type": "IC50", "standard_value": null, "standard_units": null, "pchembl_value": null, "assay_description": "DRUGMATRIX: Protease, Caspase 1 enzyme inhibition (substrate: Ac-YVAD-AMC)", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Flammulina==Flammulina" ] }, { "inchikey": "YPZRWBKMTBYPTK-BJDJZHNGSA-N", "compound_name": "(2s)-2-amino-4-{[(1r)-2-{[(2r)-2-{[(4s)-4-amino-4-carboxy-1-hydroxybutylidene]amino}-2-(carboxymethyl-c-hydroxycarbonimi", "molecular_formula": "C20H32N6O12S2", "fungal_species": [ "[query-hint] Flammulina" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL1372", "chembl_molecule_pref_name": "OXIGLUTATIONE", "target_chembl_id": "CHEMBL4801", "target_pref_name": "Caspase-1", "standard_type": "Ki", "standard_value": null, "standard_units": null, "pchembl_value": null, "assay_description": "DRUGMATRIX: Protease, Caspase 1 enzyme inhibition (substrate: Ac-YVAD-AMC)", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Flammulina==Flammulina" ] }, { "inchikey": "UHDGCWIWMRVCDJ-CCXZUQQUSA-N", "compound_name": "β-ara c", "molecular_formula": "C9H13N3O5", "fungal_species": [ "[query-hint] Boletus" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL803", "chembl_molecule_pref_name": "CYTARABINE", "target_chembl_id": "CHEMBL4801", "target_pref_name": "Caspase-1", "standard_type": "IC50", "standard_value": null, "standard_units": null, "pchembl_value": null, "assay_description": "DRUGMATRIX: Protease, Caspase 1 enzyme inhibition (substrate: Ac-YVAD-AMC)", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Boletus==Boletus" ] }, { "inchikey": "UHDGCWIWMRVCDJ-XVFCMESISA-N", "compound_name": "cytidine", "molecular_formula": "C9H13N3O5", "fungal_species": [ "[query-hint] Boletus" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL803", "chembl_molecule_pref_name": "CYTARABINE", "target_chembl_id": "CHEMBL4801", "target_pref_name": "Caspase-1", "standard_type": "IC50", "standard_value": null, "standard_units": null, "pchembl_value": null, "assay_description": "DRUGMATRIX: Protease, Caspase 1 enzyme inhibition (substrate: Ac-YVAD-AMC)", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Boletus==Boletus" ] }, { "inchikey": "UHDGCWIWMRVCDJ-UHFFFAOYSA-N", "compound_name": "2-(2-hydroxy-4-iminopyrimidin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol", "molecular_formula": "C9H13N3O5", "fungal_species": [ "[query-hint] Boletus" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL803", "chembl_molecule_pref_name": "CYTARABINE", "target_chembl_id": "CHEMBL4801", "target_pref_name": "Caspase-1", "standard_type": "IC50", "standard_value": null, "standard_units": null, "pchembl_value": null, "assay_description": "DRUGMATRIX: Protease, Caspase 1 enzyme inhibition (substrate: Ac-YVAD-AMC)", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Boletus==Boletus" ] }, { "inchikey": "UHDGCWIWMRVCDJ-CCXZUQQUSA-N", "compound_name": "β-ara c", "molecular_formula": "C9H13N3O5", "fungal_species": [ "[query-hint] Boletus" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL803", "chembl_molecule_pref_name": "CYTARABINE", "target_chembl_id": "CHEMBL4801", "target_pref_name": "Caspase-1", "standard_type": "Ki", "standard_value": null, "standard_units": null, "pchembl_value": null, "assay_description": "DRUGMATRIX: Protease, Caspase 1 enzyme inhibition (substrate: Ac-YVAD-AMC)", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Boletus==Boletus" ] }, { "inchikey": "UHDGCWIWMRVCDJ-XVFCMESISA-N", "compound_name": "cytidine", "molecular_formula": "C9H13N3O5", "fungal_species": [ "[query-hint] Boletus" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL803", "chembl_molecule_pref_name": "CYTARABINE", "target_chembl_id": "CHEMBL4801", "target_pref_name": "Caspase-1", "standard_type": "Ki", "standard_value": null, "standard_units": null, "pchembl_value": null, "assay_description": "DRUGMATRIX: Protease, Caspase 1 enzyme inhibition (substrate: Ac-YVAD-AMC)", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Boletus==Boletus" ] }, { "inchikey": "UHDGCWIWMRVCDJ-UHFFFAOYSA-N", "compound_name": "2-(2-hydroxy-4-iminopyrimidin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol", "molecular_formula": "C9H13N3O5", "fungal_species": [ "[query-hint] Boletus" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL803", "chembl_molecule_pref_name": "CYTARABINE", "target_chembl_id": "CHEMBL4801", "target_pref_name": "Caspase-1", "standard_type": "Ki", "standard_value": null, "standard_units": null, "pchembl_value": null, "assay_description": "DRUGMATRIX: Protease, Caspase 1 enzyme inhibition (substrate: Ac-YVAD-AMC)", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Boletus==Boletus" ] }, { "inchikey": "DSSYKIVIOFKYAU-XCBNKYQSSA-N", "compound_name": "(+)-Camphor", "molecular_formula": "C10H16O", "fungal_species": [ "Ganoderma lucidum" ], "source_dbs": [ "KNApSAcK" ], "chembl_molecule_id": "CHEMBL15768", "chembl_molecule_pref_name": "CAMPHOR", "target_chembl_id": "CHEMBL4801", "target_pref_name": "Caspase-1", "standard_type": "IC50", "standard_value": null, "standard_units": null, "pchembl_value": null, "assay_description": "DRUGMATRIX: Protease, Caspase 1 enzyme inhibition (substrate: Ac-YVAD-AMC)", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, { "inchikey": "DSSYKIVIOFKYAU-XCBNKYQSSA-N", "compound_name": "(+)-Camphor", "molecular_formula": "C10H16O", "fungal_species": [ "Ganoderma lucidum" ], "source_dbs": [ "KNApSAcK" ], "chembl_molecule_id": "CHEMBL15768", "chembl_molecule_pref_name": "CAMPHOR", "target_chembl_id": "CHEMBL4801", "target_pref_name": "Caspase-1", "standard_type": "Ki", "standard_value": null, "standard_units": null, "pchembl_value": null, "assay_description": "DRUGMATRIX: Protease, Caspase 1 enzyme inhibition (substrate: Ac-YVAD-AMC)", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, { "inchikey": "AUZONCFQVSMFAP-UHFFFAOYSA-N", "compound_name": "disulfiram", "molecular_formula": "C10H20N2S4", "fungal_species": [ "[query-hint] Coprinopsis" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL964", "chembl_molecule_pref_name": "DISULFIRAM", "target_chembl_id": "CHEMBL4801", "target_pref_name": "Caspase-1", "standard_type": "IC50", "standard_value": null, "standard_units": null, "pchembl_value": null, "assay_description": "DRUGMATRIX: Protease, Caspase 1 enzyme inhibition (substrate: Ac-YVAD-AMC)", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Coprinopsis==Coprinopsis" ] }, { "inchikey": "AUZONCFQVSMFAP-UHFFFAOYSA-N", "compound_name": "disulfiram", "molecular_formula": "C10H20N2S4", "fungal_species": [ "[query-hint] Coprinopsis" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL964", "chembl_molecule_pref_name": "DISULFIRAM", "target_chembl_id": "CHEMBL4801", "target_pref_name": "Caspase-1", "standard_type": "Ki", "standard_value": null, "standard_units": null, "pchembl_value": null, "assay_description": "DRUGMATRIX: Protease, Caspase 1 enzyme inhibition (substrate: Ac-YVAD-AMC)", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Coprinopsis==Coprinopsis" ] }, { "inchikey": "KRKNYBCHXYNGOX-UHFFFAOYSA-N", "compound_name": "citric acid", "molecular_formula": "C6H8O7", "fungal_species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL1261", "chembl_molecule_pref_name": "CITRIC ACID", "target_chembl_id": "CHEMBL4801", "target_pref_name": "Caspase-1", "standard_type": "IC50", "standard_value": null, "standard_units": null, "pchembl_value": null, "assay_description": "DRUGMATRIX: Protease, Caspase 1 enzyme inhibition (substrate: Ac-YVAD-AMC)", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, { "inchikey": "KRKNYBCHXYNGOX-UHFFFAOYSA-N", "compound_name": "citric acid", "molecular_formula": "C6H8O7", "fungal_species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL1261", "chembl_molecule_pref_name": "CITRIC ACID", "target_chembl_id": "CHEMBL4801", "target_pref_name": "Caspase-1", "standard_type": "Ki", "standard_value": null, "standard_units": null, "pchembl_value": null, "assay_description": "DRUGMATRIX: Protease, Caspase 1 enzyme inhibition (substrate: Ac-YVAD-AMC)", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, { "inchikey": "AAOVKJBEBIDNHE-UHFFFAOYSA-N", "compound_name": "diazepam", "molecular_formula": "C16H13ClN2O", "fungal_species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL12", "chembl_molecule_pref_name": "DIAZEPAM", "target_chembl_id": "CHEMBL4801", "target_pref_name": "Caspase-1", "standard_type": "IC50", "standard_value": null, "standard_units": null, "pchembl_value": null, "assay_description": "DRUGMATRIX: Protease, Caspase 1 enzyme inhibition (substrate: Ac-YVAD-AMC)", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, { "inchikey": "AAOVKJBEBIDNHE-UHFFFAOYSA-N", "compound_name": "diazepam", "molecular_formula": "C16H13ClN2O", "fungal_species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL12", "chembl_molecule_pref_name": "DIAZEPAM", "target_chembl_id": "CHEMBL4801", "target_pref_name": "Caspase-1", "standard_type": "Ki", "standard_value": null, "standard_units": null, "pchembl_value": null, "assay_description": "DRUGMATRIX: Protease, Caspase 1 enzyme inhibition (substrate: Ac-YVAD-AMC)", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, { "inchikey": "JGSARLDLIJGVTE-UHFFFAOYSA-N", "compound_name": "6-[(1-hydroxy-2-phenylethylidene)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid", "molecular_formula": "C16H18N2O4S", "fungal_species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL29", "chembl_molecule_pref_name": "PENICILLIN G", "target_chembl_id": "CHEMBL4801", "target_pref_name": "Caspase-1", "standard_type": "IC50", "standard_value": null, "standard_units": null, "pchembl_value": null, "assay_description": "DRUGMATRIX: Protease, Caspase 1 enzyme inhibition (substrate: Ac-YVAD-AMC)", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, { "inchikey": "JGSARLDLIJGVTE-MBNYWOFBSA-N", "compound_name": "(2s,5r,6r)-6-[(1-hydroxy-2-phenylethylidene)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic aci", "molecular_formula": "C16H18N2O4S", "fungal_species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL29", "chembl_molecule_pref_name": "PENICILLIN G", "target_chembl_id": "CHEMBL4801", "target_pref_name": "Caspase-1", "standard_type": "IC50", "standard_value": null, "standard_units": null, "pchembl_value": null, "assay_description": "DRUGMATRIX: Protease, Caspase 1 enzyme inhibition (substrate: Ac-YVAD-AMC)", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, { "inchikey": "JGSARLDLIJGVTE-UHFFFAOYSA-N", "compound_name": "6-[(1-hydroxy-2-phenylethylidene)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid", "molecular_formula": "C16H18N2O4S", "fungal_species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL29", "chembl_molecule_pref_name": "PENICILLIN G", "target_chembl_id": "CHEMBL4801", "target_pref_name": "Caspase-1", "standard_type": "Ki", "standard_value": null, "standard_units": null, "pchembl_value": null, "assay_description": "DRUGMATRIX: Protease, Caspase 1 enzyme inhibition (substrate: Ac-YVAD-AMC)", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, { "inchikey": "JGSARLDLIJGVTE-MBNYWOFBSA-N", "compound_name": "(2s,5r,6r)-6-[(1-hydroxy-2-phenylethylidene)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic aci", "molecular_formula": "C16H18N2O4S", "fungal_species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL29", "chembl_molecule_pref_name": "PENICILLIN G", "target_chembl_id": "CHEMBL4801", "target_pref_name": "Caspase-1", "standard_type": "Ki", "standard_value": null, "standard_units": null, "pchembl_value": null, "assay_description": "DRUGMATRIX: Protease, Caspase 1 enzyme inhibition (substrate: Ac-YVAD-AMC)", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, { "inchikey": "PVNIIMVLHYAWGP-UHFFFAOYSA-N", "compound_name": "niacin", "molecular_formula": "C6H5NO2", "fungal_species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps", "[query-hint] Pleurotus" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL573", "chembl_molecule_pref_name": "NIACIN", "target_chembl_id": "CHEMBL4801", "target_pref_name": "Caspase-1", "standard_type": "IC50", "standard_value": null, "standard_units": null, "pchembl_value": null, "assay_description": "DRUGMATRIX: Protease, Caspase 1 enzyme inhibition (substrate: Ac-YVAD-AMC)", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps", "INCLUDE:Pleurotus==Pleurotus" ] }, { "inchikey": "PVNIIMVLHYAWGP-UHFFFAOYSA-N", "compound_name": "niacin", "molecular_formula": "C6H5NO2", "fungal_species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps", "[query-hint] Pleurotus" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL573", "chembl_molecule_pref_name": "NIACIN", "target_chembl_id": "CHEMBL4801", "target_pref_name": "Caspase-1", "standard_type": "Ki", "standard_value": null, "standard_units": null, "pchembl_value": null, "assay_description": "DRUGMATRIX: Protease, Caspase 1 enzyme inhibition (substrate: Ac-YVAD-AMC)", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps", "INCLUDE:Pleurotus==Pleurotus" ] }, { "inchikey": "ISWSIDIOOBJBQZ-UHFFFAOYSA-N", "compound_name": "phenol", "molecular_formula": "C6H6O", "fungal_species": [ "[query-hint] Agaricus", "[query-hint] Phallus" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL14060", "chembl_molecule_pref_name": "PHENOL", "target_chembl_id": "CHEMBL4801", "target_pref_name": "Caspase-1", "standard_type": "IC50", "standard_value": null, "standard_units": null, "pchembl_value": null, "assay_description": "DRUGMATRIX: Protease, Caspase 1 enzyme inhibition (substrate: Ac-YVAD-AMC)", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus", "INCLUDE:Phallus==Phallus" ] }, { "inchikey": "ISWSIDIOOBJBQZ-UHFFFAOYSA-N", "compound_name": "phenol", "molecular_formula": "C6H6O", "fungal_species": [ "[query-hint] Agaricus", "[query-hint] Phallus" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL14060", "chembl_molecule_pref_name": "PHENOL", "target_chembl_id": "CHEMBL4801", "target_pref_name": "Caspase-1", "standard_type": "Ki", "standard_value": null, "standard_units": null, "pchembl_value": null, "assay_description": "DRUGMATRIX: Protease, Caspase 1 enzyme inhibition (substrate: Ac-YVAD-AMC)", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus", "INCLUDE:Phallus==Phallus" ] }, { "inchikey": "DFPAKSUCGFBDDF-UHFFFAOYSA-N", "compound_name": "vitamin b>3<", "molecular_formula": "C6H6N2O", "fungal_species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Lactarius", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL1140", "chembl_molecule_pref_name": "NIACINAMIDE", "target_chembl_id": "CHEMBL4801", "target_pref_name": "Caspase-1", "standard_type": "IC50", "standard_value": null, "standard_units": null, "pchembl_value": null, "assay_description": "DRUGMATRIX: Protease, Caspase 1 enzyme inhibition (substrate: Ac-YVAD-AMC)", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Lactarius==Lactarius", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, { "inchikey": "DFPAKSUCGFBDDF-UHFFFAOYSA-N", "compound_name": "vitamin b>3<", "molecular_formula": "C6H6N2O", "fungal_species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Lactarius", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL1140", "chembl_molecule_pref_name": "NIACINAMIDE", "target_chembl_id": "CHEMBL4801", "target_pref_name": "Caspase-1", "standard_type": "Ki", "standard_value": null, "standard_units": null, "pchembl_value": null, "assay_description": "DRUGMATRIX: Protease, Caspase 1 enzyme inhibition (substrate: Ac-YVAD-AMC)", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Lactarius==Lactarius", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, { "inchikey": "WQGWDDDVZFFDIG-UHFFFAOYSA-N", "compound_name": "Pyrogallol", "molecular_formula": "C6H6O3", "fungal_species": [ "[npatlas-query] Penicillium" ], "source_dbs": [ "NPAtlas" ], "chembl_molecule_id": "CHEMBL307145", "chembl_molecule_pref_name": "PYROGALLOL", "target_chembl_id": "CHEMBL4801", "target_pref_name": "Caspase-1", "standard_type": "IC50", "standard_value": null, "standard_units": null, "pchembl_value": null, "assay_description": "DRUGMATRIX: Protease, Caspase 1 enzyme inhibition (substrate: Ac-YVAD-AMC)", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium" ] }, { "inchikey": "WQGWDDDVZFFDIG-UHFFFAOYSA-N", "compound_name": "Pyrogallol", "molecular_formula": "C6H6O3", "fungal_species": [ "[npatlas-query] Penicillium" ], "source_dbs": [ "NPAtlas" ], "chembl_molecule_id": "CHEMBL307145", "chembl_molecule_pref_name": "PYROGALLOL", "target_chembl_id": "CHEMBL4801", "target_pref_name": "Caspase-1", "standard_type": "Ki", "standard_value": null, "standard_units": null, "pchembl_value": null, "assay_description": "DRUGMATRIX: Protease, Caspase 1 enzyme inhibition (substrate: Ac-YVAD-AMC)", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium" ] }, { "inchikey": "FBPFZTCFMRRESA-JGWLITMVSA-N", "compound_name": "d-sorbitol", "molecular_formula": "C6H14O6", "fungal_species": [ "[query-hint] Inonotus", "[query-hint] Inonotus obliquus", "[query-hint] Phellinus", "[query-hint] Pleurotus", "[query-hint] Pleurotus ostreatus" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL689", "chembl_molecule_pref_name": "MANNITOL", "target_chembl_id": "CHEMBL4801", "target_pref_name": "Caspase-1", "standard_type": "IC50", "standard_value": null, "standard_units": null, "pchembl_value": null, "assay_description": "DRUGMATRIX: Protease, Caspase 1 enzyme inhibition (substrate: Ac-YVAD-AMC)", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Inonotus==Inonotus", "INCLUDE:Inonotus obliquus==Inonotus obliquus", "INCLUDE:Phellinus==Phellinus", "INCLUDE:Pleurotus==Pleurotus", "INCLUDE:Pleurotus ostreatus==Pleurotus" ] }, { "inchikey": "FBPFZTCFMRRESA-FBXFSONDSA-N", "compound_name": "d-allitol", "molecular_formula": "C6H14O6", "fungal_species": [ "[query-hint] Russula" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL689", "chembl_molecule_pref_name": "MANNITOL", "target_chembl_id": "CHEMBL4801", "target_pref_name": "Caspase-1", "standard_type": "IC50", "standard_value": null, "standard_units": null, "pchembl_value": null, "assay_description": "DRUGMATRIX: Protease, Caspase 1 enzyme inhibition (substrate: Ac-YVAD-AMC)", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Russula==Russula" ] }, { "inchikey": "FBPFZTCFMRRESA-KVTDHHQDSA-N", "compound_name": "mannitol", "molecular_formula": "C6H14O6", "fungal_species": [ "[query-hint] Agaricus", "[query-hint] Aspergillus niger", "[query-hint] Cordyceps", "[query-hint] Cordyceps cicadae", "[query-hint] Cordyceps sinensis", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum", "[query-hint] Inonotus" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL689", "chembl_molecule_pref_name": "MANNITOL", "target_chembl_id": "CHEMBL4801", "target_pref_name": "Caspase-1", "standard_type": "IC50", "standard_value": null, "standard_units": null, "pchembl_value": null, "assay_description": "DRUGMATRIX: Protease, Caspase 1 enzyme inhibition (substrate: Ac-YVAD-AMC)", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus", "INCLUDE:Aspergillus niger==Aspergillus niger", "INCLUDE:Cordyceps==Cordyceps", "INCLUDE:Cordyceps cicadae==Cordyceps", "INCLUDE:Cordyceps sinensis==Cordyceps sinensis" ] }, { "inchikey": "FBPFZTCFMRRESA-JGWLITMVSA-N", "compound_name": "d-sorbitol", "molecular_formula": "C6H14O6", "fungal_species": [ "[query-hint] Inonotus", "[query-hint] Inonotus obliquus", "[query-hint] Phellinus", "[query-hint] Pleurotus", "[query-hint] Pleurotus ostreatus" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL689", "chembl_molecule_pref_name": "MANNITOL", "target_chembl_id": "CHEMBL4801", "target_pref_name": "Caspase-1", "standard_type": "Ki", "standard_value": null, "standard_units": null, "pchembl_value": null, "assay_description": "DRUGMATRIX: Protease, Caspase 1 enzyme inhibition (substrate: Ac-YVAD-AMC)", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Inonotus==Inonotus", "INCLUDE:Inonotus obliquus==Inonotus obliquus", "INCLUDE:Phellinus==Phellinus", "INCLUDE:Pleurotus==Pleurotus", "INCLUDE:Pleurotus ostreatus==Pleurotus" ] }, { "inchikey": "FBPFZTCFMRRESA-FBXFSONDSA-N", "compound_name": "d-allitol", "molecular_formula": "C6H14O6", "fungal_species": [ "[query-hint] Russula" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL689", "chembl_molecule_pref_name": "MANNITOL", "target_chembl_id": "CHEMBL4801", "target_pref_name": "Caspase-1", "standard_type": "Ki", "standard_value": null, "standard_units": null, "pchembl_value": null, "assay_description": "DRUGMATRIX: Protease, Caspase 1 enzyme inhibition (substrate: Ac-YVAD-AMC)", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Russula==Russula" ] }, { "inchikey": "FBPFZTCFMRRESA-KVTDHHQDSA-N", "compound_name": "mannitol", "molecular_formula": "C6H14O6", "fungal_species": [ "[query-hint] Agaricus", "[query-hint] Aspergillus niger", "[query-hint] Cordyceps", "[query-hint] Cordyceps cicadae", "[query-hint] Cordyceps sinensis", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum", "[query-hint] Inonotus" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL689", "chembl_molecule_pref_name": "MANNITOL", "target_chembl_id": "CHEMBL4801", "target_pref_name": "Caspase-1", "standard_type": "Ki", "standard_value": null, "standard_units": null, "pchembl_value": null, "assay_description": "DRUGMATRIX: Protease, Caspase 1 enzyme inhibition (substrate: Ac-YVAD-AMC)", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus", "INCLUDE:Aspergillus niger==Aspergillus niger", "INCLUDE:Cordyceps==Cordyceps", "INCLUDE:Cordyceps cicadae==Cordyceps", "INCLUDE:Cordyceps sinensis==Cordyceps sinensis" ] } ], "IL1B": [ { "inchikey": "NNHHTFDBMMPBSL-JFPRQHOTSA-N", "compound_name": "Berkeleyone A", "molecular_formula": "C26H38O6", "fungal_species": [ "[npatlas-query] Penicillium" ], "source_dbs": [ "NPAtlas" ], "chembl_molecule_id": "CHEMBL1911627", "chembl_molecule_pref_name": "BERKELEYONE A", "target_chembl_id": "CHEMBL1909490", "target_pref_name": "Interleukin-1 beta", "standard_type": "IC50", "standard_value": "2700.0", "standard_units": "nM", "pchembl_value": "5.57", "assay_description": "Induction of IL-1 beta production in LPS-induced human THP-1 cells by ELISA", "document_year": 2011, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium" ] }, { "inchikey": "IWYHWTWGKBGNTO-GSISZECUSA-N", "compound_name": "Berkeleyone B", "molecular_formula": "C26H34O7", "fungal_species": [ "[npatlas-query] Penicillium" ], "source_dbs": [ "NPAtlas" ], "chembl_molecule_id": "CHEMBL1911628", "chembl_molecule_pref_name": "BERKELEYONE B", "target_chembl_id": "CHEMBL1909490", "target_pref_name": "Interleukin-1 beta", "standard_type": "IC50", "standard_value": "3700.0", "standard_units": "nM", "pchembl_value": "5.43", "assay_description": "Induction of IL-1 beta production in LPS-induced human THP-1 cells by ELISA", "document_year": 2011, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium" ] }, { "inchikey": "HBZLILHFZMWEGE-QFRJCEMRSA-N", "compound_name": "Berkeleyone C", "molecular_formula": "C26H34O7", "fungal_species": [ "[npatlas-query] Penicillium" ], "source_dbs": [ "NPAtlas" ], "chembl_molecule_id": "CHEMBL1911630", "chembl_molecule_pref_name": "BERKELEYONE C", "target_chembl_id": "CHEMBL1909490", "target_pref_name": "Interleukin-1 beta", "standard_type": "IC50", "standard_value": "37800.0", "standard_units": "nM", "pchembl_value": "4.42", "assay_description": "Induction of IL-1 beta production in LPS-induced human THP-1 cells by ELISA", "document_year": 2011, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium" ] } ], "TNFA": [ { "inchikey": "YCXUCEXEMJPDRZ-AQMUIXANSA-N", "compound_name": "Ganoderic acid H", "molecular_formula": "C32H44O9", "fungal_species": [ "[npatlas-query] Ganoderma" ], "source_dbs": [ "NPAtlas" ], "chembl_molecule_id": "CHEMBL1922178", "chembl_molecule_pref_name": "GANODERIC ACID H", "target_chembl_id": "CHEMBL1825", "target_pref_name": "Tumor necrosis factor", "standard_type": "Kd", "standard_value": "2.45", "standard_units": "nM", "pchembl_value": "8.61", "assay_description": "Binding affinity to TNF-alpha (unknown origin)", "document_year": 2014, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, { "inchikey": "YCXUCEXEMJPDRZ-NMLPFVMGSA-N", "compound_name": "(2r,6r)-6-[(1r,3as,5as,7s,9as,11s,11ar)-11-(acetyloxy)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-1h,2h,5h,5ah,7h", "molecular_formula": "C32H44O9", "fungal_species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL1922178", "chembl_molecule_pref_name": "GANODERIC ACID H", "target_chembl_id": "CHEMBL1825", "target_pref_name": "Tumor necrosis factor", "standard_type": "Kd", "standard_value": "2.45", "standard_units": "nM", "pchembl_value": "8.61", "assay_description": "Binding affinity to TNF-alpha (unknown origin)", "document_year": 2014, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, { "inchikey": "YCXUCEXEMJPDRZ-LPQIQZSBSA-N", "compound_name": "6-[(3ar,9as,11ar)-11-(acetyloxy)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-1h,2h,5h,5ah,7h,8h,9h,11h-cyclopenta[", "molecular_formula": "C32H44O9", "fungal_species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL1922178", "chembl_molecule_pref_name": "GANODERIC ACID H", "target_chembl_id": "CHEMBL1825", "target_pref_name": "Tumor necrosis factor", "standard_type": "Kd", "standard_value": "2.45", "standard_units": "nM", "pchembl_value": "8.61", "assay_description": "Binding affinity to TNF-alpha (unknown origin)", "document_year": 2014, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, { "inchikey": "YCXUCEXEMJPDRZ-UHFFFAOYSA-N", "compound_name": "6-[11-(acetyloxy)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-1h,2h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1", "molecular_formula": "C32H44O9", "fungal_species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL1922178", "chembl_molecule_pref_name": "GANODERIC ACID H", "target_chembl_id": "CHEMBL1825", "target_pref_name": "Tumor necrosis factor", "standard_type": "Kd", "standard_value": "2.45", "standard_units": "nM", "pchembl_value": "8.61", "assay_description": "Binding affinity to TNF-alpha (unknown origin)", "document_year": 2014, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, { "inchikey": "YCXUCEXEMJPDRZ-QWPKPZHNSA-N", "compound_name": "(2r,6s)-6-[(1r,3ar,5ar,7s,9as,11s,11ar)-11-(acetyloxy)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-1h,2h,5h,5ah,7h", "molecular_formula": "C32H44O9", "fungal_species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL1922178", "chembl_molecule_pref_name": "GANODERIC ACID H", "target_chembl_id": "CHEMBL1825", "target_pref_name": "Tumor necrosis factor", "standard_type": "Kd", "standard_value": "2.45", "standard_units": "nM", "pchembl_value": "8.61", "assay_description": "Binding affinity to TNF-alpha (unknown origin)", "document_year": 2014, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, { "inchikey": "YCXUCEXEMJPDRZ-YIRLAGBYSA-N", "compound_name": "(6r)-6-[(1r,3ar,5ar,7s,9as,11s,11ar)-11-(acetyloxy)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-1h,2h,5h,5ah,7h,8h", "molecular_formula": "C32H44O9", "fungal_species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL1922178", "chembl_molecule_pref_name": "GANODERIC ACID H", "target_chembl_id": "CHEMBL1825", "target_pref_name": "Tumor necrosis factor", "standard_type": "Kd", "standard_value": "2.45", "standard_units": "nM", "pchembl_value": "8.61", "assay_description": "Binding affinity to TNF-alpha (unknown origin)", "document_year": 2014, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, { "inchikey": "YCXUCEXEMJPDRZ-PDPJTJRCSA-N", "compound_name": "(2r,6r)-6-[(1r,3ar,5ar,7s,9as,11s,11ar)-11-(acetyloxy)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-1h,2h,5h,5ah,7h", "molecular_formula": "C32H44O9", "fungal_species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL1922178", "chembl_molecule_pref_name": "GANODERIC ACID H", "target_chembl_id": "CHEMBL1825", "target_pref_name": "Tumor necrosis factor", "standard_type": "Kd", "standard_value": "2.45", "standard_units": "nM", "pchembl_value": "8.61", "assay_description": "Binding affinity to TNF-alpha (unknown origin)", "document_year": 2014, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, { "inchikey": "BWCNWXLKMWWVBT-BIPJMLQYSA-N", "compound_name": "(2r,6r)-6-[(1r,3ar,5ar,9as,11s,11ar)-11-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-c", "molecular_formula": "C32H42O9", "fungal_species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL453981", "chembl_molecule_pref_name": "GANODERIC ACID F", "target_chembl_id": "CHEMBL1825", "target_pref_name": "Tumor necrosis factor", "standard_type": "Kd", "standard_value": "2.69", "standard_units": "nM", "pchembl_value": "8.57", "assay_description": "Binding affinity to TNF-alpha (unknown origin)", "document_year": 2014, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, { "inchikey": "BWCNWXLKMWWVBT-UHFFFAOYSA-N", "compound_name": "6-[11-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-me", "molecular_formula": "C32H42O9", "fungal_species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL453981", "chembl_molecule_pref_name": "GANODERIC ACID F", "target_chembl_id": "CHEMBL1825", "target_pref_name": "Tumor necrosis factor", "standard_type": "Kd", "standard_value": "2.69", "standard_units": "nM", "pchembl_value": "8.57", "assay_description": "Binding affinity to TNF-alpha (unknown origin)", "document_year": 2014, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, { "inchikey": "BWCNWXLKMWWVBT-STBKPDFISA-N", "compound_name": "(2r,6s)-6-[(1r,3ar,5ar,9as,11s,11ar)-11-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-c", "molecular_formula": "C32H42O9", "fungal_species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL453981", "chembl_molecule_pref_name": "GANODERIC ACID F", "target_chembl_id": "CHEMBL1825", "target_pref_name": "Tumor necrosis factor", "standard_type": "Kd", "standard_value": "2.69", "standard_units": "nM", "pchembl_value": "8.57", "assay_description": "Binding affinity to TNF-alpha (unknown origin)", "document_year": 2014, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, { "inchikey": "BWCNWXLKMWWVBT-BUQPIMCASA-N", "compound_name": "(2s,6r)-6-[(1r,3ar,5ar,9as,11s,11ar)-11-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-c", "molecular_formula": "C32H42O9", "fungal_species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL453981", "chembl_molecule_pref_name": "GANODERIC ACID F", "target_chembl_id": "CHEMBL1825", "target_pref_name": "Tumor necrosis factor", "standard_type": "Kd", "standard_value": "2.69", "standard_units": "nM", "pchembl_value": "8.57", "assay_description": "Binding affinity to TNF-alpha (unknown origin)", "document_year": 2014, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, { "inchikey": "BWCNWXLKMWWVBT-AIMUVTGPSA-N", "compound_name": "(6r)-6-[(1r,3ar,5ar,9as,11s,11ar)-11-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cycl", "molecular_formula": "C32H42O9", "fungal_species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "chembl_molecule_id": "CHEMBL453981", "chembl_molecule_pref_name": "GANODERIC ACID F", "target_chembl_id": "CHEMBL1825", "target_pref_name": "Tumor necrosis factor", "standard_type": "Kd", "standard_value": "2.69", "standard_units": "nM", "pchembl_value": "8.57", "assay_description": "Binding affinity to TNF-alpha (unknown origin)", "document_year": 2014, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, { "inchikey": "RERVSJVGWKIGTJ-ZJUTUNQVSA-N", "compound_name": "Ganoderic acid D", "molecular_formula": "C30H46O7", "fungal_species": [ "[npatlas-query] Ganoderma" ], "source_dbs": [ "NPAtlas" ], "chembl_molecule_id": "CHEMBL1922174", "chembl_molecule_pref_name": "GANODERIC ACID C2", "target_chembl_id": "CHEMBL1825", "target_pref_name": "Tumor necrosis factor", "standard_type": "Kd", "standard_value": "8.39", "standard_units": "nM", "pchembl_value": "8.08", "assay_description": "Binding affinity to TNF-alpha (unknown origin)", "document_year": 2014, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, { "inchikey": "RERVSJVGWKIGTJ-RQLZKMEDSA-N", "compound_name": "(2r,6r)-6-[(1r,3s,3ar,4s,5ar,7s,9as,11ar)-3,4,7-trihydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,", "molecular_formula": "C30H46O7", "fungal_species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "chembl_molecule_id": "CHEMBL1922174", "chembl_molecule_pref_name": "GANODERIC ACID C2", "target_chembl_id": "CHEMBL1825", "target_pref_name": "Tumor necrosis factor", "standard_type": "Kd", "standard_value": "8.39", "standard_units": "nM", "pchembl_value": "8.08", "assay_description": "Binding affinity to TNF-alpha (unknown origin)", "document_year": 2014, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, { "inchikey": "RERVSJVGWKIGTJ-ZGQIITRISA-N", "compound_name": "(2r,6r)-6-[(1r,3s,3ar,4s,5as,7s,9as,11ar)-3,4,7-trihydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,", "molecular_formula": "C30H46O7", "fungal_species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL1922174", "chembl_molecule_pref_name": "GANODERIC ACID C2", "target_chembl_id": "CHEMBL1825", "target_pref_name": "Tumor necrosis factor", "standard_type": "Kd", "standard_value": "8.39", "standard_units": "nM", "pchembl_value": "8.08", "assay_description": "Binding affinity to TNF-alpha (unknown origin)", "document_year": 2014, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, { "inchikey": "RERVSJVGWKIGTJ-XZDPZYTHSA-N", "compound_name": "(2r,6s)-6-[(1r,3s,3ar,4s,5ar,7s,9as,11ar)-3,4,7-trihydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,", "molecular_formula": "C30H46O7", "fungal_species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL1922174", "chembl_molecule_pref_name": "GANODERIC ACID C2", "target_chembl_id": "CHEMBL1825", "target_pref_name": "Tumor necrosis factor", "standard_type": "Kd", "standard_value": "8.39", "standard_units": "nM", "pchembl_value": "8.08", "assay_description": "Binding affinity to TNF-alpha (unknown origin)", "document_year": 2014, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, { "inchikey": "RERVSJVGWKIGTJ-UHFFFAOYSA-N", "compound_name": "2-methyl-4-oxo-6-{3,4,7-trihydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenant", "molecular_formula": "C30H46O7", "fungal_species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL1922174", "chembl_molecule_pref_name": "GANODERIC ACID C2", "target_chembl_id": "CHEMBL1825", "target_pref_name": "Tumor necrosis factor", "standard_type": "Kd", "standard_value": "8.39", "standard_units": "nM", "pchembl_value": "8.08", "assay_description": "Binding affinity to TNF-alpha (unknown origin)", "document_year": 2014, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, { "inchikey": "DYOKDAQBNHPJFD-HMOSSSIVSA-N", "compound_name": "(6r)-6-[(1r,3s,3ar,4r,5ar,9as,11ar)-3,4-dihydroxy-3a,6,6,9a,11a-pentamethyl-7,10-dioxo-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cycl", "molecular_formula": "C30H44O7", "fungal_species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "chembl_molecule_id": "CHEMBL602899", "chembl_molecule_pref_name": "GANODERIC ACID A", "target_chembl_id": "CHEMBL1825", "target_pref_name": "Tumor necrosis factor", "standard_type": "Kd", "standard_value": "8.53", "standard_units": "nM", "pchembl_value": "8.07", "assay_description": "Binding affinity to TNF-alpha (unknown origin)", "document_year": 2014, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, { "inchikey": "DYOKDAQBNHPJFD-PMVVSAHYSA-N", "compound_name": "(2r,6r)-6-[(1r,3s,3ar,4s,9as,11ar)-3,4-dihydroxy-3a,6,6,9a,11a-pentamethyl-7,10-dioxo-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclo", "molecular_formula": "C30H44O7", "fungal_species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "chembl_molecule_id": "CHEMBL602899", "chembl_molecule_pref_name": "GANODERIC ACID A", "target_chembl_id": "CHEMBL1825", "target_pref_name": "Tumor necrosis factor", "standard_type": "Kd", "standard_value": "8.53", "standard_units": "nM", "pchembl_value": "8.07", "assay_description": "Binding affinity to TNF-alpha (unknown origin)", "document_year": 2014, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, { "inchikey": "DYOKDAQBNHPJFD-UHFFFAOYSA-N", "compound_name": "6-{3,4-dihydroxy-3a,6,6,9a,11a-pentamethyl-7,10-dioxo-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-meth", "molecular_formula": "C30H44O7", "fungal_species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum", "[query-hint] Ganoderma sinense", "[query-hint] Wolfiporia" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL602899", "chembl_molecule_pref_name": "GANODERIC ACID A", "target_chembl_id": "CHEMBL1825", "target_pref_name": "Tumor necrosis factor", "standard_type": "Kd", "standard_value": "8.53", "standard_units": "nM", "pchembl_value": "8.07", "assay_description": "Binding affinity to TNF-alpha (unknown origin)", "document_year": 2014, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma", "INCLUDE:Wolfiporia==Wolfiporia" ] }, { "inchikey": "DYOKDAQBNHPJFD-QAKLKQDZSA-N", "compound_name": "(2r,6r)-6-[(1r,3s,3ar,4s,5as,9as,11ar)-3,4-dihydroxy-3a,6,6,9a,11a-pentamethyl-7,10-dioxo-1h,2h,3h,4h,5h,5ah,8h,9h,11h-c", "molecular_formula": "C30H44O7", "fungal_species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL602899", "chembl_molecule_pref_name": "GANODERIC ACID A", "target_chembl_id": "CHEMBL1825", "target_pref_name": "Tumor necrosis factor", "standard_type": "Kd", "standard_value": "8.53", "standard_units": "nM", "pchembl_value": "8.07", "assay_description": "Binding affinity to TNF-alpha (unknown origin)", "document_year": 2014, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, { "inchikey": "DYOKDAQBNHPJFD-DZYPIXIESA-N", "compound_name": "(2r,6s)-6-[(1r,3s,3ar,4s,5ar,9as,11ar)-3,4-dihydroxy-3a,6,6,9a,11a-pentamethyl-7,10-dioxo-1h,2h,3h,4h,5h,5ah,8h,9h,11h-c", "molecular_formula": "C30H44O7", "fungal_species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL602899", "chembl_molecule_pref_name": "GANODERIC ACID A", "target_chembl_id": "CHEMBL1825", "target_pref_name": "Tumor necrosis factor", "standard_type": "Kd", "standard_value": "8.53", "standard_units": "nM", "pchembl_value": "8.07", "assay_description": "Binding affinity to TNF-alpha (unknown origin)", "document_year": 2014, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, { "inchikey": "DYOKDAQBNHPJFD-JNTBEZBXSA-N", "compound_name": "ganoderic acid", "molecular_formula": "C30H44O7", "fungal_species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL602899", "chembl_molecule_pref_name": "GANODERIC ACID A", "target_chembl_id": "CHEMBL1825", "target_pref_name": "Tumor necrosis factor", "standard_type": "Kd", "standard_value": "8.53", "standard_units": "nM", "pchembl_value": "8.07", "assay_description": "Binding affinity to TNF-alpha (unknown origin)", "document_year": 2014, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, { "inchikey": "DYOKDAQBNHPJFD-WWWJQWLJSA-N", "compound_name": "6-[(3ar,5ar,9as,11ar)-3,4-dihydroxy-3a,6,6,9a,11a-pentamethyl-7,10-dioxo-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phena", "molecular_formula": "C30H44O7", "fungal_species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL602899", "chembl_molecule_pref_name": "GANODERIC ACID A", "target_chembl_id": "CHEMBL1825", "target_pref_name": "Tumor necrosis factor", "standard_type": "Kd", "standard_value": "8.53", "standard_units": "nM", "pchembl_value": "8.07", "assay_description": "Binding affinity to TNF-alpha (unknown origin)", "document_year": 2014, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, { "inchikey": "LWPLEHFGBRFRKI-NBCWKOIPSA-N", "compound_name": "ganoderic acid b", "molecular_formula": "C30H44O7", "fungal_species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL1087180", "chembl_molecule_pref_name": "GANODERIC ACID B", "target_chembl_id": "CHEMBL1825", "target_pref_name": "Tumor necrosis factor", "standard_type": "Kd", "standard_value": "8.81", "standard_units": "nM", "pchembl_value": "8.05", "assay_description": "Binding affinity to TNF-alpha (unknown origin)", "document_year": 2014, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, { "inchikey": "LWPLEHFGBRFRKI-TWZAYKDTSA-N", "compound_name": "(2r,6s)-6-[(1r,3ar,4s,5ar,7s,9as,11ar)-4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-c", "molecular_formula": "C30H44O7", "fungal_species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL1087180", "chembl_molecule_pref_name": "GANODERIC ACID B", "target_chembl_id": "CHEMBL1825", "target_pref_name": "Tumor necrosis factor", "standard_type": "Kd", "standard_value": "8.81", "standard_units": "nM", "pchembl_value": "8.05", "assay_description": "Binding affinity to TNF-alpha (unknown origin)", "document_year": 2014, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, { "inchikey": "LWPLEHFGBRFRKI-BBFKVXDGSA-N", "compound_name": "(6r)-6-[(1r,3ar,4s,5ar,7s,9as,11ar)-4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cycl", "molecular_formula": "C30H44O7", "fungal_species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL1087180", "chembl_molecule_pref_name": "GANODERIC ACID B", "target_chembl_id": "CHEMBL1825", "target_pref_name": "Tumor necrosis factor", "standard_type": "Kd", "standard_value": "8.81", "standard_units": "nM", "pchembl_value": "8.05", "assay_description": "Binding affinity to TNF-alpha (unknown origin)", "document_year": 2014, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, { "inchikey": "LWPLEHFGBRFRKI-UHFFFAOYSA-N", "compound_name": "6-{4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-meth", "molecular_formula": "C30H44O7", "fungal_species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL1087180", "chembl_molecule_pref_name": "GANODERIC ACID B", "target_chembl_id": "CHEMBL1825", "target_pref_name": "Tumor necrosis factor", "standard_type": "Kd", "standard_value": "8.81", "standard_units": "nM", "pchembl_value": "8.05", "assay_description": "Binding affinity to TNF-alpha (unknown origin)", "document_year": 2014, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, { "inchikey": "LWPLEHFGBRFRKI-ILOYKKKNSA-N", "compound_name": "6-[(3ar,5ar,9as,11ar)-4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phena", "molecular_formula": "C30H44O7", "fungal_species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL1087180", "chembl_molecule_pref_name": "GANODERIC ACID B", "target_chembl_id": "CHEMBL1825", "target_pref_name": "Tumor necrosis factor", "standard_type": "Kd", "standard_value": "8.81", "standard_units": "nM", "pchembl_value": "8.05", "assay_description": "Binding affinity to TNF-alpha (unknown origin)", "document_year": 2014, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, { "inchikey": "LWPLEHFGBRFRKI-ALSWUMDJSA-N", "compound_name": "(2r,6r)-6-[(1r,3ar,4s,5as,7s,9as,11ar)-4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-c", "molecular_formula": "C30H44O7", "fungal_species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL1087180", "chembl_molecule_pref_name": "GANODERIC ACID B", "target_chembl_id": "CHEMBL1825", "target_pref_name": "Tumor necrosis factor", "standard_type": "Kd", "standard_value": "8.81", "standard_units": "nM", "pchembl_value": "8.05", "assay_description": "Binding affinity to TNF-alpha (unknown origin)", "document_year": 2014, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, { "inchikey": "LWPLEHFGBRFRKI-DUEUHSNMSA-N", "compound_name": "6-[(1r,3ar,4s,5ar,7s,9as,11ar)-4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopent", "molecular_formula": "C30H44O7", "fungal_species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "chembl_molecule_id": "CHEMBL1087180", "chembl_molecule_pref_name": "GANODERIC ACID B", "target_chembl_id": "CHEMBL1825", "target_pref_name": "Tumor necrosis factor", "standard_type": "Kd", "standard_value": "8.81", "standard_units": "nM", "pchembl_value": "8.05", "assay_description": "Binding affinity to TNF-alpha (unknown origin)", "document_year": 2014, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, { "inchikey": "JVGJXXNUVVQEIG-MLHITDCTSA-N", "compound_name": "(3ar,5ar,9as,11ar)-1-[7-hydroxy-6-(hydroxymethyl)hept-5-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,8h,9h,11h-cyc", "molecular_formula": "C30H46O3", "fungal_species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL1915761", "chembl_molecule_pref_name": "GANODERIOL F", "target_chembl_id": "CHEMBL1825", "target_pref_name": "Tumor necrosis factor", "standard_type": "Kd", "standard_value": "16.8", "standard_units": "nM", "pchembl_value": "7.78", "assay_description": "Binding affinity to TNF-alpha (unknown origin)", "document_year": 2014, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, { "inchikey": "JVGJXXNUVVQEIG-UHFFFAOYSA-N", "compound_name": "1-[7-hydroxy-6-(hydroxymethyl)hept-5-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthr", "molecular_formula": "C30H46O3", "fungal_species": [ "[query-hint] Agaricus", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum", "[query-hint] Ganoderma sinense", "[query-hint] Polyporus" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL1915761", "chembl_molecule_pref_name": "GANODERIOL F", "target_chembl_id": "CHEMBL1825", "target_pref_name": "Tumor necrosis factor", "standard_type": "Kd", "standard_value": "16.8", "standard_units": "nM", "pchembl_value": "7.78", "assay_description": "Binding affinity to TNF-alpha (unknown origin)", "document_year": 2014, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma", "INCLUDE:Polyporus==Polyporus" ] }, { "inchikey": "JVGJXXNUVVQEIG-XXGFWTOTSA-N", "compound_name": "(1r,3ar,5ar,9as,11ar)-1-[(2s)-7-hydroxy-6-(hydroxymethyl)hept-5-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,8h,9h", "molecular_formula": "C30H46O3", "fungal_species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL1915761", "chembl_molecule_pref_name": "GANODERIOL F", "target_chembl_id": "CHEMBL1825", "target_pref_name": "Tumor necrosis factor", "standard_type": "Kd", "standard_value": "16.8", "standard_units": "nM", "pchembl_value": "7.78", "assay_description": "Binding affinity to TNF-alpha (unknown origin)", "document_year": 2014, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, { "inchikey": "JVGJXXNUVVQEIG-YPVVWARQSA-N", "compound_name": "(1r,3ar,9as,11ar)-1-[(2r)-7-hydroxy-6-(hydroxymethyl)hept-5-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,8h,9h,11h", "molecular_formula": "C30H46O3", "fungal_species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "chembl_molecule_id": "CHEMBL1915761", "chembl_molecule_pref_name": "GANODERIOL F", "target_chembl_id": "CHEMBL1825", "target_pref_name": "Tumor necrosis factor", "standard_type": "Kd", "standard_value": "16.8", "standard_units": "nM", "pchembl_value": "7.78", "assay_description": "Binding affinity to TNF-alpha (unknown origin)", "document_year": 2014, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, { "inchikey": "JVGJXXNUVVQEIG-MCKXIFHVSA-N", "compound_name": "(1r,3ar,5ar,9as,11ar)-1-[(2r)-7-hydroxy-6-(hydroxymethyl)hept-5-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,8h,9h", "molecular_formula": "C30H46O3", "fungal_species": [ "[query-hint] Agaricus", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum", "[query-hint] Ganoderma sinense", "[query-hint] Polyporus" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL1915761", "chembl_molecule_pref_name": "GANODERIOL F", "target_chembl_id": "CHEMBL1825", "target_pref_name": "Tumor necrosis factor", "standard_type": "Kd", "standard_value": "16.8", "standard_units": "nM", "pchembl_value": "7.78", "assay_description": "Binding affinity to TNF-alpha (unknown origin)", "document_year": 2014, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma", "INCLUDE:Polyporus==Polyporus" ] }, { "inchikey": "JVGJXXNUVVQEIG-MWNPDYKXSA-N", "compound_name": "(1r,3ar,5as,9as,11ar)-1-[(2r)-7-hydroxy-6-(hydroxymethyl)hept-5-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,8h,9h", "molecular_formula": "C30H46O3", "fungal_species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum", "[query-hint] Polyporus" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL1915761", "chembl_molecule_pref_name": "GANODERIOL F", "target_chembl_id": "CHEMBL1825", "target_pref_name": "Tumor necrosis factor", "standard_type": "Kd", "standard_value": "16.8", "standard_units": "nM", "pchembl_value": "7.78", "assay_description": "Binding affinity to TNF-alpha (unknown origin)", "document_year": 2014, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Polyporus==Polyporus" ] }, { "inchikey": "YTVGSCZIHGRVAV-IYAQLQCNSA-N", "compound_name": "(6r)-6-[(1r,3ar,4s,5ar,9as,11ar)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[", "molecular_formula": "C30H42O7", "fungal_species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "chembl_molecule_id": "CHEMBL2205002", "chembl_molecule_pref_name": "GANODERIC ACID D", "target_chembl_id": "CHEMBL1825", "target_pref_name": "Tumor necrosis factor", "standard_type": "Kd", "standard_value": "18.6", "standard_units": "nM", "pchembl_value": "7.73", "assay_description": "Binding affinity to TNF-alpha (unknown origin)", "document_year": 2014, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, { "inchikey": "YTVGSCZIHGRVAV-PJDLXUGISA-N", "compound_name": "(2r,6s)-6-[(1r,3ar,4s,5ar,9as,11ar)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopen", "molecular_formula": "C30H42O7", "fungal_species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL2205002", "chembl_molecule_pref_name": "GANODERIC ACID D", "target_chembl_id": "CHEMBL1825", "target_pref_name": "Tumor necrosis factor", "standard_type": "Kd", "standard_value": "18.6", "standard_units": "nM", "pchembl_value": "7.73", "assay_description": "Binding affinity to TNF-alpha (unknown origin)", "document_year": 2014, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, { "inchikey": "YTVGSCZIHGRVAV-NJNFCIENSA-N", "compound_name": "(2r,6r)-6-[(1r,3ar,4s,5ar,9as,11ar)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopen", "molecular_formula": "C30H42O7", "fungal_species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL2205002", "chembl_molecule_pref_name": "GANODERIC ACID D", "target_chembl_id": "CHEMBL1825", "target_pref_name": "Tumor necrosis factor", "standard_type": "Kd", "standard_value": "18.6", "standard_units": "nM", "pchembl_value": "7.73", "assay_description": "Binding affinity to TNF-alpha (unknown origin)", "document_year": 2014, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, { "inchikey": "YTVGSCZIHGRVAV-UHFFFAOYSA-N", "compound_name": "6-{4-hydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-4", "molecular_formula": "C30H42O7", "fungal_species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL2205002", "chembl_molecule_pref_name": "GANODERIC ACID D", "target_chembl_id": "CHEMBL1825", "target_pref_name": "Tumor necrosis factor", "standard_type": "Kd", "standard_value": "18.6", "standard_units": "nM", "pchembl_value": "7.73", "assay_description": "Binding affinity to TNF-alpha (unknown origin)", "document_year": 2014, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, { "inchikey": "YTVGSCZIHGRVAV-JNNIMRBHSA-N", "compound_name": "6-[(3ar,5ar,9as,11ar)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthr", "molecular_formula": "C30H42O7", "fungal_species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL2205002", "chembl_molecule_pref_name": "GANODERIC ACID D", "target_chembl_id": "CHEMBL1825", "target_pref_name": "Tumor necrosis factor", "standard_type": "Kd", "standard_value": "18.6", "standard_units": "nM", "pchembl_value": "7.73", "assay_description": "Binding affinity to TNF-alpha (unknown origin)", "document_year": 2014, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, { "inchikey": "YTVGSCZIHGRVAV-RNHMAOHMSA-N", "compound_name": "(2r,6r)-6-[(1r,3ar,4s,5as,9as,11ar)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopen", "molecular_formula": "C30H42O7", "fungal_species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL2205002", "chembl_molecule_pref_name": "GANODERIC ACID D", "target_chembl_id": "CHEMBL1825", "target_pref_name": "Tumor necrosis factor", "standard_type": "Kd", "standard_value": "18.6", "standard_units": "nM", "pchembl_value": "7.73", "assay_description": "Binding affinity to TNF-alpha (unknown origin)", "document_year": 2014, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] } ], "C5aR1": [], "Lp_PLA2": [], "HDAC6": [ { "inchikey": "PCZOHLXUXFIOCF-YPQFMRJXSA-N", "compound_name": "Monacolin K", "molecular_formula": "C24H36O5", "fungal_species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "chembl_molecule_id": "CHEMBL503", "chembl_molecule_pref_name": "LOVASTATIN", "target_chembl_id": "CHEMBL1865", "target_pref_name": "Histone deacetylase 6", "standard_type": "IC50", "standard_value": "16283.0", "standard_units": "nM", "pchembl_value": "4.79", "assay_description": "Fluorescent Activity Assay: The HDAC activity was performed using the HDAC fluorescent activity assay kit (BIOMOL, Plymouth Meeting, Pa., USA) according to the manufacturer's instructions. Briefly, recombinant proteins of HDAC1 or HDAC6 were incubate", "document_year": 2016, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, { "inchikey": "PCZOHLXUXFIOCF-UHFFFAOYSA-N", "compound_name": "8-[2-(4-hydroxy-6-oxooxan-2-yl)ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2-methylbutanoate", "molecular_formula": "C24H36O5", "fungal_species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL503", "chembl_molecule_pref_name": "LOVASTATIN", "target_chembl_id": "CHEMBL1865", "target_pref_name": "Histone deacetylase 6", "standard_type": "IC50", "standard_value": "16283.0", "standard_units": "nM", "pchembl_value": "4.79", "assay_description": "Fluorescent Activity Assay: The HDAC activity was performed using the HDAC fluorescent activity assay kit (BIOMOL, Plymouth Meeting, Pa., USA) according to the manufacturer's instructions. Briefly, recombinant proteins of HDAC1 or HDAC6 were incubate", "document_year": 2016, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, { "inchikey": "PCZOHLXUXFIOCF-BXMDZJJMSA-N", "compound_name": "lovastatin", "molecular_formula": "C24H36O5", "fungal_species": [ "[query-hint] Aspergillus terreus", "[query-hint] Pleurotus", "[query-hint] Pleurotus ostreatus" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL503", "chembl_molecule_pref_name": "LOVASTATIN", "target_chembl_id": "CHEMBL1865", "target_pref_name": "Histone deacetylase 6", "standard_type": "IC50", "standard_value": "16283.0", "standard_units": "nM", "pchembl_value": "4.79", "assay_description": "Fluorescent Activity Assay: The HDAC activity was performed using the HDAC fluorescent activity assay kit (BIOMOL, Plymouth Meeting, Pa., USA) according to the manufacturer's instructions. Briefly, recombinant proteins of HDAC1 or HDAC6 were incubate", "document_year": 2016, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus", "INCLUDE:Pleurotus==Pleurotus", "INCLUDE:Pleurotus ostreatus==Pleurotus" ] }, { "inchikey": "PCZOHLXUXFIOCF-YPQFMRJXSA-N", "compound_name": "Monacolin K", "molecular_formula": "C24H36O5", "fungal_species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "chembl_molecule_id": "CHEMBL503", "chembl_molecule_pref_name": "LOVASTATIN", "target_chembl_id": "CHEMBL1865", "target_pref_name": "Histone deacetylase 6", "standard_type": "IC50", "standard_value": "16285.0", "standard_units": "nM", "pchembl_value": "4.79", "assay_description": "Inhibition of recombinant HDAC6 (unknown origin) after 10 mins by fluorimetric analysis", "document_year": 2013, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, { "inchikey": "PCZOHLXUXFIOCF-UHFFFAOYSA-N", "compound_name": "8-[2-(4-hydroxy-6-oxooxan-2-yl)ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2-methylbutanoate", "molecular_formula": "C24H36O5", "fungal_species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL503", "chembl_molecule_pref_name": "LOVASTATIN", "target_chembl_id": "CHEMBL1865", "target_pref_name": "Histone deacetylase 6", "standard_type": "IC50", "standard_value": "16285.0", "standard_units": "nM", "pchembl_value": "4.79", "assay_description": "Inhibition of recombinant HDAC6 (unknown origin) after 10 mins by fluorimetric analysis", "document_year": 2013, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, { "inchikey": "PCZOHLXUXFIOCF-BXMDZJJMSA-N", "compound_name": "lovastatin", "molecular_formula": "C24H36O5", "fungal_species": [ "[query-hint] Aspergillus terreus", "[query-hint] Pleurotus", "[query-hint] Pleurotus ostreatus" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL503", "chembl_molecule_pref_name": "LOVASTATIN", "target_chembl_id": "CHEMBL1865", "target_pref_name": "Histone deacetylase 6", "standard_type": "IC50", "standard_value": "16285.0", "standard_units": "nM", "pchembl_value": "4.79", "assay_description": "Inhibition of recombinant HDAC6 (unknown origin) after 10 mins by fluorimetric analysis", "document_year": 2013, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus", "INCLUDE:Pleurotus==Pleurotus", "INCLUDE:Pleurotus ostreatus==Pleurotus" ] }, { "inchikey": "PCZOHLXUXFIOCF-YPQFMRJXSA-N", "compound_name": "Monacolin K", "molecular_formula": "C24H36O5", "fungal_species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "chembl_molecule_id": "CHEMBL503", "chembl_molecule_pref_name": "LOVASTATIN", "target_chembl_id": "CHEMBL1865", "target_pref_name": "Histone deacetylase 6", "standard_type": "IC50", "standard_value": "16285.0", "standard_units": "nM", "pchembl_value": "4.79", "assay_description": "Fluorescent Activity Assay: The HDAC activity was performed using the HDAC fluorescent activity assay kit (BIOMOL, Plymouth Meeting, Pa., USA) according to the manufacturer's instructions. Briefly, recombinant proteins of HDAC1 or HDAC6 were incubate", "document_year": 2015, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, { "inchikey": "PCZOHLXUXFIOCF-UHFFFAOYSA-N", "compound_name": "8-[2-(4-hydroxy-6-oxooxan-2-yl)ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2-methylbutanoate", "molecular_formula": "C24H36O5", "fungal_species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL503", "chembl_molecule_pref_name": "LOVASTATIN", "target_chembl_id": "CHEMBL1865", "target_pref_name": "Histone deacetylase 6", "standard_type": "IC50", "standard_value": "16285.0", "standard_units": "nM", "pchembl_value": "4.79", "assay_description": "Fluorescent Activity Assay: The HDAC activity was performed using the HDAC fluorescent activity assay kit (BIOMOL, Plymouth Meeting, Pa., USA) according to the manufacturer's instructions. Briefly, recombinant proteins of HDAC1 or HDAC6 were incubate", "document_year": 2015, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, { "inchikey": "PCZOHLXUXFIOCF-BXMDZJJMSA-N", "compound_name": "lovastatin", "molecular_formula": "C24H36O5", "fungal_species": [ "[query-hint] Aspergillus terreus", "[query-hint] Pleurotus", "[query-hint] Pleurotus ostreatus" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL503", "chembl_molecule_pref_name": "LOVASTATIN", "target_chembl_id": "CHEMBL1865", "target_pref_name": "Histone deacetylase 6", "standard_type": "IC50", "standard_value": "16285.0", "standard_units": "nM", "pchembl_value": "4.79", "assay_description": "Fluorescent Activity Assay: The HDAC activity was performed using the HDAC fluorescent activity assay kit (BIOMOL, Plymouth Meeting, Pa., USA) according to the manufacturer's instructions. Briefly, recombinant proteins of HDAC1 or HDAC6 were incubate", "document_year": 2015, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus", "INCLUDE:Pleurotus==Pleurotus", "INCLUDE:Pleurotus ostreatus==Pleurotus" ] }, { "inchikey": "WCGUUGGRBIKTOS-GPOJBZKASA-N", "compound_name": "ursolic acid", "molecular_formula": "C30H48O3", "fungal_species": [ "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL169", "chembl_molecule_pref_name": "URSOLIC ACID", "target_chembl_id": "CHEMBL1865", "target_pref_name": "Histone deacetylase 6", "standard_type": "Inhibition", "standard_value": null, "standard_units": "%", "pchembl_value": null, "assay_description": "Inhibition of HDAC6 in human HL60 cells at 5 to 20 ug/ml after 24 hrs by Western blotting analysis", "document_year": 2009, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus" ] }, { "inchikey": "WCGUUGGRBIKTOS-JJRJTKKCSA-N", "compound_name": "(1s,2r,4as,6as,6br,8as,10s,12ar,12br,14br)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,7,8,8a,10,11,12,12b,13,14b", "molecular_formula": "C30H48O3", "fungal_species": [ "[query-hint] Auricularia" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL169", "chembl_molecule_pref_name": "URSOLIC ACID", "target_chembl_id": "CHEMBL1865", "target_pref_name": "Histone deacetylase 6", "standard_type": "Inhibition", "standard_value": null, "standard_units": "%", "pchembl_value": null, "assay_description": "Inhibition of HDAC6 in human HL60 cells at 5 to 20 ug/ml after 24 hrs by Western blotting analysis", "document_year": 2009, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Auricularia==Auricularia" ] }, { "inchikey": "WCGUUGGRBIKTOS-UHFFFAOYSA-N", "compound_name": "10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydro-1h-picene-4a-carboxylic aci", "molecular_formula": "C30H48O3", "fungal_species": [ "[query-hint] Auricularia" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL169", "chembl_molecule_pref_name": "URSOLIC ACID", "target_chembl_id": "CHEMBL1865", "target_pref_name": "Histone deacetylase 6", "standard_type": "Inhibition", "standard_value": null, "standard_units": "%", "pchembl_value": null, "assay_description": "Inhibition of HDAC6 in human HL60 cells at 5 to 20 ug/ml after 24 hrs by Western blotting analysis", "document_year": 2009, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Auricularia==Auricularia" ] } ], "PPARG": [ { "inchikey": "HPNSFSBZBAHARI-RUDMXATFSA-N", "compound_name": "Mycophenolic acid", "molecular_formula": "C17H20O6", "fungal_species": [ "[npatlas-query] Aspergillus", "[query-hint] Penicillium roqueforti" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "chembl_molecule_id": "CHEMBL866", "chembl_molecule_pref_name": "MYCOPHENOLIC ACID", "target_chembl_id": "CHEMBL235", "target_pref_name": "Peroxisome proliferator-activated receptor gamma", "standard_type": "Inhibition", "standard_value": "74.0", "standard_units": "%", "pchembl_value": null, "assay_description": "Inhibition of [1-14C]sodium acetate uptake at PPARgamma in mouse 3T3-L1 cells at 2 uM", "document_year": 2007, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Penicillium roqueforti==Penicillium roqueforti" ] }, { "inchikey": "YZXBAPSDXZZRGB-DOFZRALJSA-N", "compound_name": "arachidonic acid", "molecular_formula": "C20H32O2", "fungal_species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL7594", "chembl_molecule_pref_name": null, "target_chembl_id": "CHEMBL235", "target_pref_name": "Peroxisome proliferator-activated receptor gamma", "standard_type": "Ki", "standard_value": "1500.0", "standard_units": "nM", "pchembl_value": "5.82", "assay_description": "Binding affinity was determined by displacement of 20 nM [3H]- thiazolidinedione from 4 nM biotinylated human peroxisome proliferator-activated receptor (PPAR gamma) ligand binding domain", "document_year": 1997, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, { "inchikey": "RWQKHEORZBHNRI-BMIGLBTASA-N", "compound_name": "(2s)-2-({[(3r)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-2-benzopyran-7-yl](hydroxy)methylidene}amino)-3-phenylpropa", "molecular_formula": "C20H18ClNO6", "fungal_species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "chembl_molecule_id": "CHEMBL589366", "chembl_molecule_pref_name": "3R14S-OCHRATOXIN A", "target_chembl_id": "CHEMBL235", "target_pref_name": "Peroxisome proliferator-activated receptor gamma", "standard_type": "Potency", "standard_value": "1995.3", "standard_units": "nM", "pchembl_value": null, "assay_description": "PUBCHEM_BIOASSAY: qHTS assay for small molecule antagonists of peroxisome proliferator-activated receptor gamma signaling. (Class of assay: confirmatory) ", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, { "inchikey": "QELSKZZBTMNZEB-UHFFFAOYSA-N", "compound_name": "propylparaben", "molecular_formula": "C10H12O3", "fungal_species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL194014", "chembl_molecule_pref_name": "PROPYLPARABEN", "target_chembl_id": "CHEMBL235", "target_pref_name": "Peroxisome proliferator-activated receptor gamma", "standard_type": "Potency", "standard_value": "5623.4", "standard_units": "nM", "pchembl_value": null, "assay_description": "PUBCHEM_BIOASSAY: qHTS assay for small molecule antagonists of peroxisome proliferator-activated receptor gamma signaling. (Class of assay: confirmatory) ", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, { "inchikey": "TZBJGXHYKVUXJN-UHFFFAOYSA-N", "compound_name": "genistein", "molecular_formula": "C15H10O5", "fungal_species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL44", "chembl_molecule_pref_name": "GENISTEIN", "target_chembl_id": "CHEMBL235", "target_pref_name": "Peroxisome proliferator-activated receptor gamma", "standard_type": "Potency", "standard_value": "10000.0", "standard_units": "nM", "pchembl_value": null, "assay_description": "PUBCHEM_BIOASSAY: qHTS assay for small molecule antagonists of peroxisome proliferator-activated receptor gamma signaling. (Class of assay: confirmatory) ", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, { "inchikey": "ZRWPUFFVAOMMNM-UHFFFAOYSA-N", "compound_name": "Patulin", "molecular_formula": "C7H6O4", "fungal_species": [ "[npatlas-query] Penicillium", "[query-hint] Aspergillus oryzae", "[query-hint] Penicillium chrysogenum", "[query-hint] Penicillium roqueforti" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "chembl_molecule_id": "CHEMBL294018", "chembl_molecule_pref_name": "PATULIN", "target_chembl_id": "CHEMBL235", "target_pref_name": "Peroxisome proliferator-activated receptor gamma", "standard_type": "Potency", "standard_value": "19952.6", "standard_units": "nM", "pchembl_value": null, "assay_description": "PUBCHEM_BIOASSAY: qHTS assay for small molecule antagonists of peroxisome proliferator-activated receptor gamma signaling. (Class of assay: confirmatory) ", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Aspergillus oryzae==Aspergillus oryzae", "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum", "INCLUDE:Penicillium roqueforti==Penicillium roqueforti" ] }, { "inchikey": "ZRWPUFFVAOMMNM-ZETCQYMHSA-N", "compound_name": "(4s)-4-hydroxy-4h,6h-furo[3,2-c]pyran-2-one", "molecular_formula": "C7H6O4", "fungal_species": [ "[query-hint] Aspergillus terreus", "[query-hint] Penicillium roqueforti" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL294018", "chembl_molecule_pref_name": "PATULIN", "target_chembl_id": "CHEMBL235", "target_pref_name": "Peroxisome proliferator-activated receptor gamma", "standard_type": "Potency", "standard_value": "19952.6", "standard_units": "nM", "pchembl_value": null, "assay_description": "PUBCHEM_BIOASSAY: qHTS assay for small molecule antagonists of peroxisome proliferator-activated receptor gamma signaling. (Class of assay: confirmatory) ", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus", "INCLUDE:Penicillium roqueforti==Penicillium roqueforti" ] }, { "inchikey": "POULHZVOKOAJMA-UHFFFAOYSA-N", "compound_name": "Lauric acid", "molecular_formula": "C12H24O2", "fungal_species": [ "Ganoderma lucidum", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "KNApSAcK", "LOTUS" ], "chembl_molecule_id": "CHEMBL108766", "chembl_molecule_pref_name": "DODECANOATE", "target_chembl_id": "CHEMBL235", "target_pref_name": "Peroxisome proliferator-activated receptor gamma", "standard_type": "Potency", "standard_value": "31622.8", "standard_units": "nM", "pchembl_value": null, "assay_description": "PUBCHEM_BIOASSAY: qHTS assay for small molecule antagonists of peroxisome proliferator-activated receptor gamma signaling. (Class of assay: confirmatory) ", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, { "inchikey": "QELSKZZBTMNZEB-UHFFFAOYSA-N", "compound_name": "propylparaben", "molecular_formula": "C10H12O3", "fungal_species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL194014", "chembl_molecule_pref_name": "PROPYLPARABEN", "target_chembl_id": "CHEMBL235", "target_pref_name": "Peroxisome proliferator-activated receptor gamma", "standard_type": "Potency", "standard_value": "35481.3", "standard_units": "nM", "pchembl_value": null, "assay_description": "PUBCHEM_BIOASSAY: qHTS assay for small molecule antagonists of peroxisome proliferator-activated receptor gamma signaling. (Class of assay: confirmatory) ", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, { "inchikey": "ZQPPMHVWECSIRJ-KTKRTIGZSA-N", "compound_name": "oleic acid", "molecular_formula": "C18H34O2", "fungal_species": [ "[query-hint] Agaricus", "[query-hint] Cordyceps", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum", "[query-hint] Ganoderma lucidum", "[query-hint] Lactarius", "[query-hint] Phellinus", "[query-hint] Pleurotus" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL8659", "chembl_molecule_pref_name": "OLEIC ACID", "target_chembl_id": "CHEMBL235", "target_pref_name": "Peroxisome proliferator-activated receptor gamma", "standard_type": "Potency", "standard_value": "35481.3", "standard_units": "nM", "pchembl_value": null, "assay_description": "PUBCHEM_BIOASSAY: qHTS assay for small molecule antagonists of peroxisome proliferator-activated receptor gamma signaling. (Class of assay: confirmatory) ", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus", "INCLUDE:Cordyceps==Cordyceps", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, { "inchikey": "ZQPPMHVWECSIRJ-UHFFFAOYSA-N", "compound_name": "9 octadecenoic acid", "molecular_formula": "C18H34O2", "fungal_species": [ "[query-hint] Yarrowia lipolytica" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL8659", "chembl_molecule_pref_name": "OLEIC ACID", "target_chembl_id": "CHEMBL235", "target_pref_name": "Peroxisome proliferator-activated receptor gamma", "standard_type": "Potency", "standard_value": "35481.3", "standard_units": "nM", "pchembl_value": null, "assay_description": "PUBCHEM_BIOASSAY: qHTS assay for small molecule antagonists of peroxisome proliferator-activated receptor gamma signaling. (Class of assay: confirmatory) ", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Yarrowia lipolytica==Yarrowia lipolytica" ] }, { "inchikey": "RHMXXJGYXNZAPX-UHFFFAOYSA-N", "compound_name": "Emodin", "molecular_formula": "C15H10O5", "fungal_species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "chembl_molecule_id": "CHEMBL289277", "chembl_molecule_pref_name": "EMODIN", "target_chembl_id": "CHEMBL235", "target_pref_name": "Peroxisome proliferator-activated receptor gamma", "standard_type": "Potency", "standard_value": "44668.4", "standard_units": "nM", "pchembl_value": null, "assay_description": "PUBCHEM_BIOASSAY: qHTS assay for small molecule antagonists of peroxisome proliferator-activated receptor gamma signaling. (Class of assay: confirmatory) ", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, { "inchikey": "YIWUKEYIRIRTPP-UHFFFAOYSA-N", "compound_name": "2-ethylhexanol", "molecular_formula": "C8H18O", "fungal_species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL31637", "chembl_molecule_pref_name": null, "target_chembl_id": "CHEMBL235", "target_pref_name": "Peroxisome proliferator-activated receptor gamma", "standard_type": "Potency", "standard_value": "44668.4", "standard_units": "nM", "pchembl_value": null, "assay_description": "PUBCHEM_BIOASSAY: qHTS assay for small molecule antagonists of peroxisome proliferator-activated receptor gamma signaling. (Class of assay: confirmatory) ", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, { "inchikey": "DDUHZTYCFQRHIY-OEWHWVHBSA-N", "compound_name": "Griseofulvin", "molecular_formula": "C17H17ClO6", "fungal_species": [ "[npatlas-query] Penicillium" ], "source_dbs": [ "NPAtlas" ], "chembl_molecule_id": "CHEMBL562", "chembl_molecule_pref_name": "GRISEOFULVIN", "target_chembl_id": "CHEMBL235", "target_pref_name": "Peroxisome proliferator-activated receptor gamma", "standard_type": "Potency", "standard_value": "44668.4", "standard_units": "nM", "pchembl_value": null, "assay_description": "PUBCHEM_BIOASSAY: qHTS assay for small molecule antagonists of peroxisome proliferator-activated receptor gamma signaling. (Class of assay: confirmatory) ", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium" ] }, { "inchikey": "KRKNYBCHXYNGOX-UHFFFAOYSA-N", "compound_name": "citric acid", "molecular_formula": "C6H8O7", "fungal_species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL1261", "chembl_molecule_pref_name": "CITRIC ACID", "target_chembl_id": "CHEMBL235", "target_pref_name": "Peroxisome proliferator-activated receptor gamma", "standard_type": "Potency", "standard_value": "50118.7", "standard_units": "nM", "pchembl_value": null, "assay_description": "PUBCHEM_BIOASSAY: qHTS assay for small molecule antagonists of peroxisome proliferator-activated receptor gamma signaling. (Class of assay: confirmatory) ", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, { "inchikey": "PCZOHLXUXFIOCF-YPQFMRJXSA-N", "compound_name": "Monacolin K", "molecular_formula": "C24H36O5", "fungal_species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "chembl_molecule_id": "CHEMBL503", "chembl_molecule_pref_name": "LOVASTATIN", "target_chembl_id": "CHEMBL235", "target_pref_name": "Peroxisome proliferator-activated receptor gamma", "standard_type": "Potency", "standard_value": "50118.7", "standard_units": "nM", "pchembl_value": null, "assay_description": "PUBCHEM_BIOASSAY: qHTS assay for small molecule antagonists of peroxisome proliferator-activated receptor gamma signaling. 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(Class of assay: confirmatory) ", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus" ] }, { "inchikey": "OYHQOLUKZRVURQ-HZJYTTRNSA-N", "compound_name": "Linoleic acid", "molecular_formula": "C18H32O2", "fungal_species": [ "Ganoderma lucidum", "[query-hint] Agaricus", "[query-hint] Cordyceps", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum", "[query-hint] Ganoderma lucidum", "[query-hint] Pleurotus", "[query-hint] Pleurotus ostreatus" ], "source_dbs": [ "KNApSAcK", "LOTUS" ], "chembl_molecule_id": "CHEMBL267476", "chembl_molecule_pref_name": "LINOLEIC ACID", "target_chembl_id": "CHEMBL235", "target_pref_name": "Peroxisome proliferator-activated receptor gamma", "standard_type": "Potency", "standard_value": "50118.7", "standard_units": "nM", "pchembl_value": null, "assay_description": "PUBCHEM_BIOASSAY: qHTS assay for small molecule antagonists of peroxisome proliferator-activated receptor gamma signaling. 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(Class of assay: confirmatory) ", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, { "inchikey": "LCPDWSOZIOUXRV-UHFFFAOYSA-N", "compound_name": "phenoxyacetic acid", "molecular_formula": "C8H8O3", "fungal_species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL173521", "chembl_molecule_pref_name": null, "target_chembl_id": "CHEMBL235", "target_pref_name": "Peroxisome proliferator-activated receptor gamma", "standard_type": "Potency", "standard_value": "70794.6", "standard_units": "nM", "pchembl_value": null, "assay_description": "PUBCHEM_BIOASSAY: qHTS assay for small molecule antagonists of peroxisome proliferator-activated receptor gamma signaling. (Class of assay: confirmatory) ", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, { "inchikey": "HPNSFSBZBAHARI-RUDMXATFSA-N", "compound_name": "Mycophenolic acid", "molecular_formula": "C17H20O6", "fungal_species": [ "[npatlas-query] Aspergillus", "[query-hint] Penicillium roqueforti" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "chembl_molecule_id": "CHEMBL866", "chembl_molecule_pref_name": "MYCOPHENOLIC ACID", "target_chembl_id": "CHEMBL235", "target_pref_name": "Peroxisome proliferator-activated receptor gamma", "standard_type": "Kd", "standard_value": "110000.0", "standard_units": "nM", "pchembl_value": null, "assay_description": "Binding affinity to PPARgamma", "document_year": 2007, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Penicillium roqueforti==Penicillium roqueforti" ] }, { "inchikey": "ISWSIDIOOBJBQZ-UHFFFAOYSA-N", "compound_name": "phenol", "molecular_formula": "C6H6O", "fungal_species": [ "[query-hint] Agaricus", "[query-hint] Phallus" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL14060", "chembl_molecule_pref_name": "PHENOL", "target_chembl_id": "CHEMBL235", "target_pref_name": "Peroxisome proliferator-activated receptor gamma", "standard_type": "Potency", "standard_value": "1122018.5", "standard_units": "nM", "pchembl_value": null, "assay_description": "PUBCHEM_BIOASSAY: qHTS assay for small molecule antagonists of peroxisome proliferator-activated receptor gamma signaling. (Class of assay: confirmatory) ", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus", "INCLUDE:Phallus==Phallus" ] } ], "KEAP1": [], "NRF2": [ { "inchikey": "UHDGCWIWMRVCDJ-CCXZUQQUSA-N", "compound_name": "β-ara c", "molecular_formula": "C9H13N3O5", "fungal_species": [ "[query-hint] Boletus" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL803", "chembl_molecule_pref_name": "CYTARABINE", "target_chembl_id": "CHEMBL1075094", "target_pref_name": "Nuclear factor erythroid 2-related factor 2", "standard_type": "Potency", "standard_value": "231.1", "standard_units": "nM", "pchembl_value": null, "assay_description": "PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors: Validation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493163, AID504444, AID504648]", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Boletus==Boletus" ] }, { "inchikey": "UHDGCWIWMRVCDJ-XVFCMESISA-N", "compound_name": "cytidine", "molecular_formula": "C9H13N3O5", "fungal_species": [ "[query-hint] Boletus" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL803", "chembl_molecule_pref_name": "CYTARABINE", "target_chembl_id": "CHEMBL1075094", "target_pref_name": "Nuclear factor erythroid 2-related factor 2", "standard_type": "Potency", "standard_value": "231.1", "standard_units": "nM", "pchembl_value": null, "assay_description": "PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors: Validation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493163, AID504444, AID504648]", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Boletus==Boletus" ] }, { "inchikey": "UHDGCWIWMRVCDJ-UHFFFAOYSA-N", "compound_name": "2-(2-hydroxy-4-iminopyrimidin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol", "molecular_formula": "C9H13N3O5", "fungal_species": [ "[query-hint] Boletus" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL803", "chembl_molecule_pref_name": "CYTARABINE", "target_chembl_id": "CHEMBL1075094", "target_pref_name": "Nuclear factor erythroid 2-related factor 2", "standard_type": "Potency", "standard_value": "231.1", "standard_units": "nM", "pchembl_value": null, "assay_description": "PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors: Validation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493163, AID504444, AID504648]", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Boletus==Boletus" ] }, { "inchikey": "SGJNQVTUYXCBKH-UHFFFAOYSA-N", "compound_name": "6-[2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxypyran-2-one", "molecular_formula": "C13H10O5", "fungal_species": [ "[query-hint] Inonotus", "[query-hint] Phellinus", "[query-hint] Polyporus" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL1224512", "chembl_molecule_pref_name": "HISPIDIN", "target_chembl_id": "CHEMBL1075094", "target_pref_name": "Nuclear factor erythroid 2-related factor 2", "standard_type": "Potency", "standard_value": "16360.1", "standard_units": "nM", "pchembl_value": null, "assay_description": "PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors: Validation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493163, AID504444, AID504648]", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Inonotus==Inonotus", "INCLUDE:Phellinus==Phellinus", "INCLUDE:Polyporus==Polyporus" ] }, { "inchikey": "SGJNQVTUYXCBKH-HNQUOIGGSA-N", "compound_name": "Hispidin", "molecular_formula": "C13H10O5", "fungal_species": [ "[npatlas-query] Polyporus", "[query-hint] Inonotus", "[query-hint] Phellinus", "[query-hint] Polyporus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "chembl_molecule_id": "CHEMBL1224512", "chembl_molecule_pref_name": "HISPIDIN", "target_chembl_id": "CHEMBL1075094", "target_pref_name": "Nuclear factor erythroid 2-related factor 2", "standard_type": "Potency", "standard_value": "16360.1", "standard_units": "nM", "pchembl_value": null, "assay_description": "PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors: Validation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493163, AID504444, AID504648]", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Polyporus==Polyporus", "INCLUDE:Inonotus==Inonotus", "INCLUDE:Phellinus==Phellinus", "INCLUDE:Polyporus==Polyporus" ] }, { "inchikey": "ZQSIJRDFPHDXIC-UHFFFAOYSA-N", "compound_name": "Daidzein", "molecular_formula": "C15H10O4", "fungal_species": [ "[npatlas-query] Hericium", "[query-hint] Cordyceps sinensis", "[query-hint] Hericium", "[query-hint] Hericium erinaceus", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "chembl_molecule_id": "CHEMBL8145", "chembl_molecule_pref_name": "DAIDZEIN", "target_chembl_id": "CHEMBL1075094", "target_pref_name": "Nuclear factor erythroid 2-related factor 2", "standard_type": "Potency", "standard_value": "18356.4", "standard_units": "nM", "pchembl_value": null, "assay_description": "PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors: Validation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493163, AID504444, AID504648]", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Hericium", "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "GREY:Hericium", "INCLUDE:Hericium erinaceus==Hericium erinaceus", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, { "inchikey": "AUZONCFQVSMFAP-UHFFFAOYSA-N", "compound_name": "disulfiram", "molecular_formula": "C10H20N2S4", "fungal_species": [ "[query-hint] Coprinopsis" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL964", "chembl_molecule_pref_name": "DISULFIRAM", "target_chembl_id": "CHEMBL1075094", "target_pref_name": "Nuclear factor erythroid 2-related factor 2", "standard_type": "Potency", "standard_value": "29092.9", "standard_units": "nM", "pchembl_value": null, "assay_description": "PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors: Validation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493163, AID504444, AID504648]", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Coprinopsis==Coprinopsis" ] }, { "inchikey": "PJAAESPGJOSQGZ-UHFFFAOYSA-N", "compound_name": "5,5,6b-trimethyl-1h,3ah,4h,6h,6ah-cyclopropa[e]indene-1a,2-dicarbaldehyde", "molecular_formula": "C15H20O2", "fungal_species": [ "[query-hint] Lactarius", "[query-hint] Russula" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL518292", "chembl_molecule_pref_name": "ISOVELLERAL", "target_chembl_id": "CHEMBL1075094", "target_pref_name": "Nuclear factor erythroid 2-related factor 2", "standard_type": "Potency", "standard_value": "29092.9", "standard_units": "nM", "pchembl_value": null, "assay_description": "PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Lactarius==Lactarius", "INCLUDE:Russula==Russula" ] }, { "inchikey": "PJAAESPGJOSQGZ-DZGBDDFRSA-N", "compound_name": "isovelleral", "molecular_formula": "C15H20O2", "fungal_species": [ "[query-hint] Lactarius", "[query-hint] Russula" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL518292", "chembl_molecule_pref_name": "ISOVELLERAL", "target_chembl_id": "CHEMBL1075094", "target_pref_name": "Nuclear factor erythroid 2-related factor 2", "standard_type": "Potency", "standard_value": "29092.9", "standard_units": "nM", "pchembl_value": null, "assay_description": "PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Lactarius==Lactarius", "INCLUDE:Russula==Russula" ] }, { "inchikey": "WBLZUCOIBUDNBV-UHFFFAOYSA-N", "compound_name": "β-nitropropionic acid", "molecular_formula": "C3H5NO4", "fungal_species": [ "[npatlas-query] Aspergillus" ], "source_dbs": [ "NPAtlas" ], "chembl_molecule_id": "CHEMBL451226", "chembl_molecule_pref_name": null, "target_chembl_id": "CHEMBL1075094", "target_pref_name": "Nuclear factor erythroid 2-related factor 2", "standard_type": "Potency", "standard_value": "32642.7", "standard_units": "nM", "pchembl_value": null, "assay_description": "PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors: Validation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493163, AID504444, AID504648]", "document_year": null, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus" ] } ], "OAT1": [ { "inchikey": "AFSDNFLWKVMVRB-UHFFFAOYSA-N", "compound_name": "Ellagic acid", "molecular_formula": "C14H6O8", "fungal_species": [ "[npatlas-query] Penicillium", "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "chembl_molecule_id": "CHEMBL6246", "chembl_molecule_pref_name": "ELLAGIC ACID", "target_chembl_id": "CHEMBL1641347", "target_pref_name": "Solute carrier family 22 member 6", "standard_type": "IC50", "standard_value": "270.0", "standard_units": "nM", "pchembl_value": "6.57", "assay_description": "TP_TRANSPORTER: inhibition of ochratoxin A uptake (ochratoxin A / 1uM) in Xenopus laevis oocytes", "document_year": 2005, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Phellinus==Phellinus" ] }, { "inchikey": "WWZKQHOCKIZLMA-UHFFFAOYSA-N", "compound_name": "Octanoic acid", "molecular_formula": "C8H16O2", "fungal_species": [ "Ganoderma lucidum", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "KNApSAcK", "LOTUS" ], "chembl_molecule_id": "CHEMBL324846", "chembl_molecule_pref_name": "OCTANOIC ACID", "target_chembl_id": "CHEMBL1641347", "target_pref_name": "Solute carrier family 22 member 6", "standard_type": "Ki", "standard_value": "5410.0", "standard_units": "nM", "pchembl_value": "5.27", "assay_description": "TP_TRANSPORTER: inhibition of Ochratoxin A uptake in OAT1-expressing S2 cells", "document_year": 2001, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, { "inchikey": "YGSDEFSMJLZEOE-UHFFFAOYSA-N", "compound_name": "salicyclic acid", "molecular_formula": "C7H6O3", "fungal_species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL424", "chembl_molecule_pref_name": "SALICYLIC ACID", "target_chembl_id": "CHEMBL1641347", "target_pref_name": "Solute carrier family 22 member 6", "standard_type": "IC50", "standard_value": "280000.0", "standard_units": "nM", "pchembl_value": null, "assay_description": "TP_TRANSPORTER: inhibition of 6-Carboxyfluorescein uptake in OAT1-expressing CHO cells", "document_year": 2000, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] } ], "OAT3": [ { "inchikey": "WWZKQHOCKIZLMA-UHFFFAOYSA-N", "compound_name": "Octanoic acid", "molecular_formula": "C8H16O2", "fungal_species": [ "Ganoderma lucidum", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "KNApSAcK", "LOTUS" ], "chembl_molecule_id": "CHEMBL324846", "chembl_molecule_pref_name": "OCTANOIC ACID", "target_chembl_id": "CHEMBL1641348", "target_pref_name": "Organic anion transporter 3", "standard_type": "Ki", "standard_value": "8600.0", "standard_units": "nM", "pchembl_value": "5.07", "assay_description": "TP_TRANSPORTER: inhibition of Ochratoxin A uptake in OAT3-expressing S2 cells", "document_year": 2001, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, { "inchikey": "JGSARLDLIJGVTE-UHFFFAOYSA-N", "compound_name": "6-[(1-hydroxy-2-phenylethylidene)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid", "molecular_formula": "C16H18N2O4S", "fungal_species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL29", "chembl_molecule_pref_name": "PENICILLIN G", "target_chembl_id": "CHEMBL1641348", "target_pref_name": "Organic anion transporter 3", "standard_type": "Ki", "standard_value": "97600.0", "standard_units": "nM", "pchembl_value": "4.01", "assay_description": "TP_TRANSPORTER: inhibition of MTX uptake in OAT3-expressing S2 cells", "document_year": 2002, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, { "inchikey": "JGSARLDLIJGVTE-MBNYWOFBSA-N", "compound_name": "(2s,5r,6r)-6-[(1-hydroxy-2-phenylethylidene)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic aci", "molecular_formula": "C16H18N2O4S", "fungal_species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL29", "chembl_molecule_pref_name": "PENICILLIN G", "target_chembl_id": "CHEMBL1641348", "target_pref_name": "Organic anion transporter 3", "standard_type": "Ki", "standard_value": "97600.0", "standard_units": "nM", "pchembl_value": "4.01", "assay_description": "TP_TRANSPORTER: inhibition of MTX uptake in OAT3-expressing S2 cells", "document_year": 2002, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, { "inchikey": "YGSDEFSMJLZEOE-UHFFFAOYSA-N", "compound_name": "salicyclic acid", "molecular_formula": "C7H6O3", "fungal_species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL424", "chembl_molecule_pref_name": "SALICYLIC ACID", "target_chembl_id": "CHEMBL1641348", "target_pref_name": "Organic anion transporter 3", "standard_type": "Ki", "standard_value": "1020000.0", "standard_units": "nM", "pchembl_value": null, "assay_description": "TP_TRANSPORTER: inhibition of MTX uptake in OAT3-expressing S2 cells", "document_year": 2002, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, { "inchikey": "NGHVIOIJCVXTGV-ALEPSDHESA-N", "compound_name": "6-aminopenicillanic acid", "molecular_formula": "C8H12N2O3S", "fungal_species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "chembl_molecule_id": "CHEMBL1236749", "chembl_molecule_pref_name": null, "target_chembl_id": "CHEMBL1641348", "target_pref_name": "Organic anion transporter 3", "standard_type": "Inhibition", "standard_value": null, "standard_units": "%", "pchembl_value": null, "assay_description": "Inhibition of human OAT3 expressed in CHO cells assessed as inhibition of fluorescein uptake at 500 uM over 20 mins relative to untreated-control", "document_year": 2013, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, { "inchikey": "JGSARLDLIJGVTE-UHFFFAOYSA-N", "compound_name": "6-[(1-hydroxy-2-phenylethylidene)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid", "molecular_formula": "C16H18N2O4S", "fungal_species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL29", "chembl_molecule_pref_name": "PENICILLIN G", "target_chembl_id": "CHEMBL1641348", "target_pref_name": "Organic anion transporter 3", "standard_type": "Inhibition", "standard_value": null, "standard_units": "%", "pchembl_value": null, "assay_description": "Inhibition of human OAT3 expressed in CHO cells assessed as inhibition of fluorescein uptake at 500 uM over 20 mins relative to untreated-control", "document_year": 2013, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, { "inchikey": "JGSARLDLIJGVTE-MBNYWOFBSA-N", "compound_name": "(2s,5r,6r)-6-[(1-hydroxy-2-phenylethylidene)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic aci", "molecular_formula": "C16H18N2O4S", "fungal_species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL29", "chembl_molecule_pref_name": "PENICILLIN G", "target_chembl_id": "CHEMBL1641348", "target_pref_name": "Organic anion transporter 3", "standard_type": "Inhibition", "standard_value": null, "standard_units": "%", "pchembl_value": null, "assay_description": "Inhibition of human OAT3 expressed in CHO cells assessed as inhibition of fluorescein uptake at 500 uM over 20 mins relative to untreated-control", "document_year": 2013, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] } ], "OAT4": [], "ADA": [ { "inchikey": "MRWXACSTFXYYMV-GHCJXIJMSA-N", "compound_name": "(2s,3r,4s,5s)-2-(hydroxymethyl)-5-(purin-9-yl)oxolane-3,4-diol", "molecular_formula": "C10H12N4O4", "fungal_species": [ "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL1399702", "chembl_molecule_pref_name": "NEBULARINE", "target_chembl_id": "CHEMBL1910", "target_pref_name": "Adenosine deaminase", "standard_type": "Ki", "standard_value": "7000.0", "standard_units": "nM", "pchembl_value": "5.16", "assay_description": "Inhibition of adenosine deaminase", "document_year": 2011, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus" ] }, { "inchikey": "MRWXACSTFXYYMV-FDDDBJFASA-N", "compound_name": "purine nucleoside", "molecular_formula": "C10H12N4O4", "fungal_species": [ "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL1399702", "chembl_molecule_pref_name": "NEBULARINE", "target_chembl_id": "CHEMBL1910", "target_pref_name": "Adenosine deaminase", "standard_type": "Ki", "standard_value": "7000.0", "standard_units": "nM", "pchembl_value": "5.16", "assay_description": "Inhibition of adenosine deaminase", "document_year": 2011, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus" ] }, { "inchikey": "OIRDTQYFTABQOQ-KQYNXXCUSA-N", "compound_name": "adenosine", "molecular_formula": "C10H13N5O4", "fungal_species": [ "[query-hint] Cordyceps", "[query-hint] Cordyceps sinensis", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum", "[query-hint] Lactarius", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL477", "chembl_molecule_pref_name": "ADENOSINE", "target_chembl_id": "CHEMBL1910", "target_pref_name": "Adenosine deaminase", "standard_type": "Ki", "standard_value": "2180000.0", "standard_units": "nM", "pchembl_value": null, "assay_description": "Tested for binding constant against adenosine deaminase (ADA2) in human plasma", "document_year": 1993, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps", "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Lactarius==Lactarius" ] }, { "inchikey": "OIRDTQYFTABQOQ-UHFFFAOYSA-N", "compound_name": "adenosine", "molecular_formula": "C10H13N5O4", "fungal_species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "chembl_molecule_id": "CHEMBL477", "chembl_molecule_pref_name": "ADENOSINE", "target_chembl_id": "CHEMBL1910", "target_pref_name": "Adenosine deaminase", "standard_type": "Ki", "standard_value": "2180000.0", "standard_units": "nM", "pchembl_value": null, "assay_description": "Tested for binding constant against adenosine deaminase (ADA2) in human plasma", "document_year": 1993, "evidence": "empirical", "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] } ], "PINK1": [], "PDI": [], "PDIA3": [], "TXN": [], "TXNIP": [] } }