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BDBM23415 5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one::Acacetin::CHEMBL243664
SMILES: COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
InChI Key: InChIKey=DANYIYRPLHHOCZ-UHFFFAOYSA-N
PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.
| Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Cytochrome P450 1B1 (Homo sapiens (Human)) | BDBM23415 (5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet  | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratory of Medicinal Chemistry, Endocrinology and Nephrology Unit, CHU de Québec - Research Center, Québec, Québec, Canada; Department of Molecular Medicine, Faculty of Medicine, Université Laval, Curated by ChEMBL | Assay Description Inhibition of CYP1B1 (unknown origin) | Eur J Med Chem 135: 296-306 (2017) Article DOI: 10.1016/j.ejmech.2017.04.042 BindingDB Entry DOI: 10.7270/Q26Q20QW | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Cytochrome P450 1B1 (Homo sapiens (Human)) | BDBM23415 (5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Crete Curated by ChEMBL | Assay Description Inhibition of CYP1B1 EROD activity assessed as inhibition of deethylation of 7-ethoxyresorufin to resorufin | Bioorg Med Chem 19: 2842-9 (2011) Article DOI: 10.1016/j.bmc.2011.03.042 BindingDB Entry DOI: 10.7270/Q2V69JXK | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Cytochrome P450 1A1 (Homo sapiens (Human)) | BDBM23415 (5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Crete Curated by ChEMBL | Assay Description Inhibition of CYP1A1 EROD activity assessed as inhibition of deethylation of 7-ethoxyresorufin to resorufin | Bioorg Med Chem 19: 2842-9 (2011) Article DOI: 10.1016/j.bmc.2011.03.042 BindingDB Entry DOI: 10.7270/Q2V69JXK | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Amine oxidase [flavin-containing] B (Homo sapiens (Human)) | BDBM23415 (5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 49 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University Curated by ChEMBL | Assay Description Inhibition of recombinant human MAO-B after 30 mins | J Nat Prod 79: 2538-2544 (2016) Article DOI: 10.1021/acs.jnatprod.6b00440 BindingDB Entry DOI: 10.7270/Q26W9DHJ | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Amine oxidase (flavin-containing) A (Homo sapiens (Human)) | BDBM23415 (5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 59 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University Curated by ChEMBL | Assay Description Competitive inhibition of recombinant human MAO-A assessed as reduction in 4-hydroxyquinoline formation using varying levels of kynuramine as substra... | J Nat Prod 79: 2538-2544 (2016) Article DOI: 10.1021/acs.jnatprod.6b00440 BindingDB Entry DOI: 10.7270/Q26W9DHJ | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Xanthine dehydrogenase (Bos taurus (Bovine)) | BDBM23415 (5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.41E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of cow milk xanthine oxidase | J Nat Prod 51: 345-348 (1988) Article DOI: 10.1021/np50056a030 BindingDB Entry DOI: 10.7270/Q2DJ5FNN | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Sialidase 2 (Homo sapiens (Human)) | BDBM23415 (5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Hokkaido University Curated by ChEMBL | Assay Description Inhibition of human Neu2 assessed as MuNANA substrate hydrolysis in presence of 0.1% Triton X-100 by discontinuous fluorimetric assay | Bioorg Med Chem 18: 1633-40 (2010) Article DOI: 10.1016/j.bmc.2009.12.062 BindingDB Entry DOI: 10.7270/Q26110F1 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Cytochrome P450 1A (Homo sapiens (Human)) | BDBM23415 (5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one...) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 251 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Shizuoka Curated by ChEMBL | Assay Description Inhibition of human CYP1A2 by EROD assay | Bioorg Med Chem 18: 6310-5 (2010) Article DOI: 10.1016/j.bmc.2010.07.020 BindingDB Entry DOI: 10.7270/Q2GB248D | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Cytochrome P450 1A1 (Homo sapiens (Human)) | BDBM23415 (5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 86 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Shizuoka Curated by ChEMBL | Assay Description Inhibition of human CYP1A1 by EROD assay | Bioorg Med Chem 18: 6310-5 (2010) Article DOI: 10.1016/j.bmc.2010.07.020 BindingDB Entry DOI: 10.7270/Q2GB248D | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Cytochrome P450 1B1 (Homo sapiens (Human)) | BDBM23415 (5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Shizuoka Curated by ChEMBL | Assay Description Inhibition of human CYP1B1 by EROD assay | Bioorg Med Chem 18: 6310-5 (2010) Article DOI: 10.1016/j.bmc.2010.07.020 BindingDB Entry DOI: 10.7270/Q2GB248D | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Cytochrome P450 1A1 (Homo sapiens (Human)) | BDBM23415 (5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland Curated by ChEMBL | Assay Description Inhibition of CYP1A1 | Bioorg Med Chem 15: 5047-60 (2007) Article DOI: 10.1016/j.bmc.2007.05.046 BindingDB Entry DOI: 10.7270/Q20R9Q7F | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Cytochrome P450 1B1 (Homo sapiens (Human)) | BDBM23415 (5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland Curated by ChEMBL | Assay Description Inhibition of CYP1B1 | Bioorg Med Chem 15: 5047-60 (2007) Article DOI: 10.1016/j.bmc.2007.05.046 BindingDB Entry DOI: 10.7270/Q20R9Q7F | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Cytochrome P450 1A (Homo sapiens (Human)) | BDBM23415 (5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one...) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland Curated by ChEMBL | Assay Description Inhibition of CYP1A2 | Bioorg Med Chem 15: 5047-60 (2007) Article DOI: 10.1016/j.bmc.2007.05.046 BindingDB Entry DOI: 10.7270/Q20R9Q7F | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Amine oxidase (flavin-containing) A (Homo sapiens (Human)) | BDBM23415 (5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunchon National University Curated by ChEMBL | Assay Description Inhibition of recombinant human MAO-A using kynuramine as substrate incubated for 20 mins by spectrophotometric method | Bioorg Med Chem Lett 28: 2403-2407 (2018) Article DOI: 10.1016/j.bmcl.2018.06.023 BindingDB Entry DOI: 10.7270/Q23R0WCT | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Amine oxidase (flavin-containing) A (Homo sapiens (Human)) | BDBM23415 (5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunchon National University Curated by ChEMBL | Assay Description Inhibition of human recombinant MAOA using kynuramine as substrate preincubated for 30 mins followed by substrate addition | Bioorg Med Chem Lett 28: 584-588 (2018) Article DOI: 10.1016/j.bmcl.2018.01.049 BindingDB Entry DOI: 10.7270/Q25T3P2R | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Amine oxidase (flavin-containing) A (Homo sapiens (Human)) | BDBM23415 (5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 121 | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University Curated by ChEMBL | Assay Description Inhibition of recombinant human MAO-A assessed as reduction in 4-hydroxyquinoline formation using kynuramine as substrate after 20 mins by fluorometr... | J Nat Prod 79: 2538-2544 (2016) Article DOI: 10.1021/acs.jnatprod.6b00440 BindingDB Entry DOI: 10.7270/Q26W9DHJ | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Amine oxidase [flavin-containing] B (Homo sapiens (Human)) | BDBM23415 (5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University Curated by ChEMBL | Assay Description Inhibition of recombinant human MAO-B assessed as reduction in 4-hydroxyquinoline formation using kynuramine as substrate after 20 mins by fluorometr... | J Nat Prod 79: 2538-2544 (2016) Article DOI: 10.1021/acs.jnatprod.6b00440 BindingDB Entry DOI: 10.7270/Q26W9DHJ | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Cytochrome P450 1B1 (Homo sapiens (Human)) | BDBM23415 (5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratory of Medicinal Chemistry, Endocrinology and Nephrology Unit, CHU de Québec - Research Center, Québec, Québec, Canada; Department of Molecular Medicine, Faculty of Medicine, Université Laval, Curated by ChEMBL | Assay Description Inhibition of human CYP1B1 expressed in Escherichia coli DH5alpha coexpressing human NADPH P450 reductase using 7-ethoxyresorufin as substrate in pre... | Eur J Med Chem 135: 296-306 (2017) Article DOI: 10.1016/j.ejmech.2017.04.042 BindingDB Entry DOI: 10.7270/Q26Q20QW | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Inositol hexakisphosphate kinase 2 (Homo sapiens) | BDBM23415 (5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one...) | UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 5.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Environmental Health Sciences Curated by ChEMBL | Assay Description Inhibition of human IP6K2 using insP6 as substrate preincubated for 15 mins followed by substrate and measured after 30 mins by TR-FRET assay | J Med Chem 62: 1443-1454 (2019) Article DOI: 10.1021/acs.jmedchem.8b01593 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Epidermal growth factor receptor (Homo sapiens (Human)) | BDBM23415 (5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of EGFR in human A431 cells | J Nat Prod 55: 1529-1560 (1992) Article DOI: 10.1021/np50089a001 BindingDB Entry DOI: 10.7270/Q2J966CC | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Arachidonate 5-lipoxygenase (Rattus norvegicus) | BDBM23415 (5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 1.23E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking Union Medical College and Chinese Academy of Medical Sciences Curated by ChEMBL | Assay Description Inhibition of 5-lipoxygenase in Wistar rat peritoneal leukocytes | J Nat Prod 62: 1241-5 (1999) BindingDB Entry DOI: 10.7270/Q27H1JCW | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Mitogen-activated protein kinase 10 (Homo sapiens (Human)) | BDBM23415 (5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 5.78E+3 | n/a | n/a | n/a | n/a | n/a | 37 |
Eberhard Karls University of Tuebingen | Assay Description The p38alpha reaction was carried out by using kinase (12ng per well), ATP (100uM) and incubated for 60 min at 37 C. For the JNK3 assay, kinase (10n... | Chembiochem 11: 2579-88 (2010) Article DOI: 10.1002/cbic.201000487 BindingDB Entry DOI: 10.7270/Q21C1VDT | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Inositol polyphosphate multikinase (Homo sapiens) | BDBM23415 (5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Environmental Health Sciences Curated by ChEMBL | Assay Description Inhibition of human IPMK using insP3 as substrate preincubated for 15 mins followed by substrate and measured after 30 mins by TR-FRET assay | J Med Chem 62: 1443-1454 (2019) Article DOI: 10.1021/acs.jmedchem.8b01593 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Alpha-amylase (Homo sapiens (Human)) | BDBM23415 (5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | n/a | n/a | n/a | 6.0 | 22 |
Nestle Research Center | Assay Description The assay was carried out at room temperature for 10 min with salivary alpha-amylase, starch, and test compounds. The reducing sugar was determined b... | J Med Chem 51: 3555-61 (2008) Article DOI: 10.1021/jm800115x BindingDB Entry DOI: 10.7270/Q237771Z | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Mitogen-activated protein kinase 14 (Homo sapiens (Human)) | BDBM23415 (5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 5.00E+4 | n/a | n/a | n/a | n/a | n/a | 37 |
Eberhard Karls University of Tuebingen | Assay Description The p38alpha reaction was carried out by using kinase (12ng per well), ATP (100uM) and incubated for 60 min at 37 C. For the JNK3 assay, kinase (10n... | Chembiochem 11: 2579-88 (2010) Article DOI: 10.1002/cbic.201000487 BindingDB Entry DOI: 10.7270/Q21C1VDT | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
