compound 23 [PMID: 17125252] [Ligand Id: 8756] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL215134 |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| CYP2A6/Cytochrome P450 2A6 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5282] [GtoPdb: 1321] [UniProtKB: P11509] | ||||||||
| GtoPdb | - | - | 6.22 | pKi | 600 | nM | Ki | J Med Chem (2006) 49: 6987-7001 [PMID:17125252] |
| ChEMBL | Inhibition of human CYP2A6 expressed in insect cell microsomes assessed as reduction in enzyme-mediated coumarin 7-hydroxylation | B | 5.94 | pIC50 | 1160 | nM | IC50 | US-8609708-B2. Synthetic compounds and derivatives as modulators of smoking or nicotine ingestion and lung cancer (null) |
| CYP2E1 in Human [GtoPdb: 1330] [UniProtKB: P05181] | ||||||||
| GtoPdb | - | - | 7.4 | pKi | 40 | nM | Ki | J Med Chem (2006) 49: 6987-7001 [PMID:17125252] |
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]
