BindingDB

null

SMILES Oc1ccc(cc1)-c1coc2cc(O)ccc2c1=O

InChI Key InChIKey=ZQSIJRDFPHDXIC-UHFFFAOYSA-N

PDB links: 1 PDB ID matches this monomer. 6 PDB IDs contain this monomer as substructures. 6 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 23420

Estrogen receptor beta(Homo sapiens (Human))
Kyoto Pharmaceutical University

Curated by ChEMBL

BDBM23420(7,4′-Dihydroxy-isoflavone (3a) | 7-hydroxy-3...)copy SMILEScopy InChI

Ki: 300nMAssay Description:Inhibition of binding of 17 beta-estradiol to human Estrogen receptor alphaMore data for this Ligand-Target Pair

PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar

Purchase CHEMBL MCE
KEGG PC cid PC sid PDB Patents Similars

Details
BindingDB Entry DOI: 10.7270/Q29P325HPubMed

Estrogen receptor(Homo sapiens (Human))
Kyoto Pharmaceutical University

Curated by ChEMBL

BDBM23420(7,4′-Dihydroxy-isoflavone (3a) | 7-hydroxy-3...)copy SMILEScopy InChI

Ki: 1.80E+3nMAssay Description:Inhibition of binding of 17 beta-estradiol to human Estrogen receptor alphaMore data for this Ligand-Target Pair

PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar

Purchase CHEMBL MCE
KEGG PC cid PC sid PDB Patents Similars

Details
BindingDB Entry DOI: 10.7270/Q29P325HPubMed

Estrogen receptor(Homo sapiens (Human))
Kyoto Pharmaceutical University

Curated by ChEMBL

BDBM23420(7,4′-Dihydroxy-isoflavone (3a) | 7-hydroxy-3...)copy SMILEScopy InChI

IC50: 6.30E+3nMAssay Description:Inhibition of binding of 17 beta-estradiol to human Estrogen receptor alphaMore data for this Ligand-Target Pair

PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar

Purchase CHEMBL MCE
KEGG PC cid PC sid PDB Patents Similars

Details
BindingDB Entry DOI: 10.7270/Q29P325HPubMed

Estrogen receptor beta(Homo sapiens (Human))
Kyoto Pharmaceutical University

Curated by ChEMBL

BDBM23420(7,4′-Dihydroxy-isoflavone (3a) | 7-hydroxy-3...)copy SMILEScopy InChI

IC50: 1.10E+3nMAssay Description:Inhibition of binding of 17 beta-estradiol to human Estrogen receptor betaMore data for this Ligand-Target Pair

PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar

Purchase CHEMBL MCE
KEGG PC cid PC sid PDB Patents Similars

Details
BindingDB Entry DOI: 10.7270/Q29P325HPubMed

Targets 28 ▿
- Estrogen receptor beta 9
- Estrogen receptor 6
- Neuraminidase 5
- Aldehyde dehydrogenase, mitochondrial 2
- UDP-glucuronosyltransferase 1A1 2
- Beta-glucuronidase 2
- Xanthine dehydrogenase/oxidase 2
- Carbonic anhydrase 12 1
- Aldo-keto reductase family 1 member B10 1
- Carbonic anhydrase 1 1
- Alpha-amylase 1A 1
- Replicase polyprotein 1ab 1
- Alpha-glucosidase MAL62 1
- Epidermal growth factor receptor 1
- Sulfotransferase 1A1 1
- Urease subunit beta 1
- Sulfotransferase 2A1 1
- Polyunsaturated fatty acid lipoxygenase ALOX12 1
- Polyunsaturated fatty acid lipoxygenase ALOX15 1
- Aromatase 1
- 3-hydroxyacyl-[acyl-carrier-protein] dehydratase 1
- Aldo-keto reductase family 1 member B1 1
- Carbonic anhydrase 7 1
- Proteasome subunit beta type-5 1
- Voltage-dependent L-type calcium channel subunit alpha-1C 1
- Carbonic anhydrase 2 1
- Tyrosinase 1
- Carbonic anhydrase 4 1
Publications 26 ▿
- Bioorg Med Chem 23: 7219-25 (2015) 5
- Bioorg Med Chem Lett 11: 1839-42 (2001) 4
- Bioorg Med Chem 16: 7141-7 (2008) 3
- Bioorg Med Chem Lett 14: 1417-21 (2004) 2
- Drug Metab Dispos 39: 322-9 (2011) 2
- Chem Biol Drug Des 82: 317-25 (2013) 2
- Eur J Med Chem 187: (2020) 2
- Eur J Med Chem 45: 1724-30 (2010) 2
- J Nat Prod 65: 1749-53 (2002) 2
- J Med Chem 48: 3463-6 (2005) 2
- Bioorg Med Chem Lett 18: 5006-9 (2008) 2
- J Nat Prod 78: 2666-74 (2015) 2
- Bioorg Med Chem 16: 8466-70 (2008) 1
- Eur J Med Chem 167: 291-311 (2019) 1
- J Med Chem 43: 4169-79 (2000) 1
- J Med Chem 53: 6153-63 (2010) 1
- Bioorg Med Chem 21: 3730-7 (2013) 1
- J Med Chem 47: 1018-30 (2004) 1
- Bioorg Med Chem Lett 20: 1162-4 (2010) 1
- J Med Chem 51: 3555-61 (2008) 1
- J Nat Prod 55: 1529-1560 (1992) 1
- Eur J Med Chem 63: 685-95 (2013) 1
- J Appl Toxicol 32: 858-66 (2012) 1
- J Med Chem 44: 3320-8 (2001) 1
- J Med Chem 49: 3345-53 (2006) 1
- US Patent US8552057 (2013) 1
Institutions 23 ▿
- [Aristotle University of Thessaloniki] 5
- [Kyoto Pharmaceutical University] 4
- [AmorePacific Corporation, University of Southern California, Peking Union Medical College] 3
- [AmorePacific Corporation, University of Southern California, Peking Union Medical College] 3
- [AmorePacific Corporation, University of Southern California, Peking Union Medical College] 3
- [Merck Research Laboratories, Université de Lausanne, University of Hradec Kralove, Universidad de Santiago de Chile, University of KwaZulu-Natal, Harvard Medical School, University of Minnesota, Universidad de Buenos Aires] 2
- [Merck Research Laboratories, Université de Lausanne, University of Hradec Kralove, Universidad de Santiago de Chile, University of KwaZulu-Natal, Harvard Medical School, University of Minnesota, Universidad de Buenos Aires] 2
- [Merck Research Laboratories, Université de Lausanne, University of Hradec Kralove, Universidad de Santiago de Chile, University of KwaZulu-Natal, Harvard Medical School, University of Minnesota, Universidad de Buenos Aires] 2
- [Merck Research Laboratories, Université de Lausanne, University of Hradec Kralove, Universidad de Santiago de Chile, University of KwaZulu-Natal, Harvard Medical School, University of Minnesota, Universidad de Buenos Aires] 2
- [Merck Research Laboratories, Université de Lausanne, University of Hradec Kralove, Universidad de Santiago de Chile, University of KwaZulu-Natal, Harvard Medical School, University of Minnesota, Universidad de Buenos Aires] 2
- [Merck Research Laboratories, Université de Lausanne, University of Hradec Kralove, Universidad de Santiago de Chile, University of KwaZulu-Natal, Harvard Medical School, University of Minnesota, Universidad de Buenos Aires] 2
- [Merck Research Laboratories, Université de Lausanne, University of Hradec Kralove, Universidad de Santiago de Chile, University of KwaZulu-Natal, Harvard Medical School, University of Minnesota, Universidad de Buenos Aires] 2
- [Merck Research Laboratories, Université de Lausanne, University of Hradec Kralove, Universidad de Santiago de Chile, University of KwaZulu-Natal, Harvard Medical School, University of Minnesota, Universidad de Buenos Aires] 2
- [TBA, Jagiellonian University, King's College London, Nestle Research Center, Institute of Agricultural and Food Biotechnology, Vrije Universiteit Amsterdam, Xavier University of Louisiana, University of Zurich, Jishou University, Korea Research Institute of Bioscience and Biotechnology] 1
- [TBA, Jagiellonian University, King's College London, Nestle Research Center, Institute of Agricultural and Food Biotechnology, Vrije Universiteit Amsterdam, Xavier University of Louisiana, University of Zurich, Jishou University, Korea Research Institute of Bioscience and Biotechnology] 1
- [TBA, Jagiellonian University, King's College London, Nestle Research Center, Institute of Agricultural and Food Biotechnology, Vrije Universiteit Amsterdam, Xavier University of Louisiana, University of Zurich, Jishou University, Korea Research Institute of Bioscience and Biotechnology] 1
- [TBA, Jagiellonian University, King's College London, Nestle Research Center, Institute of Agricultural and Food Biotechnology, Vrije Universiteit Amsterdam, Xavier University of Louisiana, University of Zurich, Jishou University, Korea Research Institute of Bioscience and Biotechnology] 1
- [TBA, Jagiellonian University, King's College London, Nestle Research Center, Institute of Agricultural and Food Biotechnology, Vrije Universiteit Amsterdam, Xavier University of Louisiana, University of Zurich, Jishou University, Korea Research Institute of Bioscience and Biotechnology] 1
- [TBA, Jagiellonian University, King's College London, Nestle Research Center, Institute of Agricultural and Food Biotechnology, Vrije Universiteit Amsterdam, Xavier University of Louisiana, University of Zurich, Jishou University, Korea Research Institute of Bioscience and Biotechnology] 1
- [TBA, Jagiellonian University, King's College London, Nestle Research Center, Institute of Agricultural and Food Biotechnology, Vrije Universiteit Amsterdam, Xavier University of Louisiana, University of Zurich, Jishou University, Korea Research Institute of Bioscience and Biotechnology] 1
- [TBA, Jagiellonian University, King's College London, Nestle Research Center, Institute of Agricultural and Food Biotechnology, Vrije Universiteit Amsterdam, Xavier University of Louisiana, University of Zurich, Jishou University, Korea Research Institute of Bioscience and Biotechnology] 1
- [TBA, Jagiellonian University, King's College London, Nestle Research Center, Institute of Agricultural and Food Biotechnology, Vrije Universiteit Amsterdam, Xavier University of Louisiana, University of Zurich, Jishou University, Korea Research Institute of Bioscience and Biotechnology] 1
- [TBA, Jagiellonian University, King's College London, Nestle Research Center, Institute of Agricultural and Food Biotechnology, Vrije Universiteit Amsterdam, Xavier University of Louisiana, University of Zurich, Jishou University, Korea Research Institute of Bioscience and Biotechnology] 1
Affinity: 4.2 to 1.4E+10 nM▿
- Ki 8
- IC50 39
- Kd 1
- Affinity ≤ nM
Xtal structures: 0
Docked structures: 0
Catalog Cmpds: 1