coumestrol [Ligand Id: 12437] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL30707 (Coumestrol) |
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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 33:
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]
