coumestrol [Ligand Id: 12437] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL30707 (Coumestrol)
  • Androgen receptor/Androgen Receptor in Rat [ChEMBL: CHEMBL3072] [GtoPdb: 628] [UniProtKB: P15207]
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  • casein kinase 2, alpha 1 polypeptide subunit/Casein kinase II alpha in Human [ChEMBL: CHEMBL3629] [GtoPdb: 1549] [UniProtKB: P68400]
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  • Estrogen receptor-α/Estrogen receptor alpha in Human [ChEMBL: CHEMBL206] [GtoPdb: 620] [UniProtKB: P03372]
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  • Estrogen receptor-β/Estrogen receptor beta in Human [ChEMBL: CHEMBL242] [GtoPdb: 621] [UniProtKB: Q92731]
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  • TAS2R14 in Human [GtoPdb: 668] [UniProtKB: Q9NYV8]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
Androgen receptor/Androgen Receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3072] [GtoPdb: 628] [UniProtKB: P15207]
ChEMBL Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881) B 4.37 pIC50 >42657.95 nM IC50 J Med Chem (2005) 48: 5666-5674 [PMID:16134935]
casein kinase 2, alpha 1 polypeptide subunit/Casein kinase II alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3629] [GtoPdb: 1549] [UniProtKB: P68400]
ChEMBL Inhibition of CK2alpha (unknown origin) B 5.12 pKi 7670 nM Ki Eur J Med Chem (2019) 181: 111581-111581 [PMID:31400711]
Estrogen receptor-α/Estrogen receptor alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL206] [GtoPdb: 620] [UniProtKB: P03372]
ChEMBL Binding affinity for human Estrogen receptor Alpha B 7.12 pIC50 75.7 nM IC50 J Med Chem (2005) 48: 3463-3466 [PMID:15887952]
ChEMBL Binding affinity for human Estrogen receptor Alpha B 7.12 pIC50 75.7 nM IC50 J Med Chem (2005) 48: 3463-3466 [PMID:15887952]
ChEMBL Binding Assay: The binding affinity and selectivity of candidate molecules yielded from database screening were determined by a fluorescent polarization competitive binding assay using purified baculovirus-expressed human ER beta or ER alpha and a fluorescent estrogen ligand EL Red (PanVera Corp.). B 7.12 pIC50 75.7 nM IC50 US-8552057-B2. Phytoestrogenic formulations for alleviation or prevention of neurodegenerative diseases (2013)
ChEMBL Binding affinity against human estrogen receptor alpha in competitive binding assay B 7.96 pIC50 11 nM IC50 Bioorg Med Chem Lett (2004) 14: 1417-1421 [PMID:15006374]
Estrogen receptor-β/Estrogen receptor beta in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL242] [GtoPdb: 621] [UniProtKB: Q92731]
ChEMBL Binding affinity for human Estrogen receptor beta B 7.73 pIC50 18.6 nM IC50 J Med Chem (2005) 48: 3463-3466 [PMID:15887952]
ChEMBL Binding affinity for human Estrogen receptor beta B 7.73 pIC50 18.6 nM IC50 J Med Chem (2005) 48: 3463-3466 [PMID:15887952]
ChEMBL Binding Assay: The binding affinity and selectivity of candidate molecules yielded from database screening were determined by a fluorescent polarization competitive binding assay using purified baculovirus-expressed human ER beta or ER alpha and a fluorescent estrogen ligand EL Red (PanVera Corp.). B 7.73 pIC50 18.6 nM IC50 US-8552057-B2. Phytoestrogenic formulations for alleviation or prevention of neurodegenerative diseases (2013)
ChEMBL Binding affinity against human estrogen receptor beta (ER beta) in competitive binding assay B 8.7 pIC50 2 nM IC50 Bioorg Med Chem Lett (2004) 14: 1417-1421 [PMID:15006374]
Pregnane X receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3401] [GtoPdb: 606] [UniProtKB: O75469]
ChEMBL Antagonist activity at human PXR transfected in African green monkey CV1 cells assessed as inhibition of SR12813-induced transactivation after 24 hrs by luciferase reporter gene assay B 4.92 pIC50 12000 nM IC50 J Med Chem (2014) 57: 4819-4833 [PMID:24828006]
TAS2R14 in Human [GtoPdb: 668] [UniProtKB: Q9NYV8]
GtoPdb - - 3.45 pEC50 358000 nM EC50 J Agric Food Chem (2011) 59: 11764-71 [PMID:21942422]

ChEMBL data shown on this page come from version 32:

Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]