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] |
| maltase-glucoamylase/Maltase-glucoamylase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2074] [GtoPdb: 2627] [UniProtKB: O43451] | ||||||||
| ChEMBL | Inhibition of Alpha-glucosidase (unknown origin) | B | 5.22 | pIC50 | 6000 | nM | IC50 | Eur J Med Chem (2017) 128: 219-236 [PMID:28189086] |
| Neuraminidase in Influenza A virus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6135] [UniProtKB: B4URF0] | ||||||||
| ChEMBL | Inhibition of Influenza A virus H5N1 neuraminidase | B | 4.42 | pIC50 | 37800 | nM | IC50 | Eur J Med Chem (2017) 128: 219-236 [PMID:28189086] |
| 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 34:
Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. (2024). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res., 52(D1). DOI: 10.1093/nar/gkad1004. [EPMCID:10767899] [PMID:37933841]
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]
