(2S,4S)-ketoconazole [Ligand Id: 8871] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL319160
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  • CYP21A2/Cytochrome P450 21 in Human [ChEMBL: CHEMBL2759] [GtoPdb: 1364] [UniProtKB: P08686]
  • CYP21A2 in Rat [GtoPdb: 1364]
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  • CYP11B1 in Human [GtoPdb: 1359] [UniProtKB: P15538]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
CYP11A1 in Human [GtoPdb: 1358] [UniProtKB: P05108]
GtoPdb - - 5.9 pIC50 - - - J Med Chem (1992) 35: 2818-25 [PMID:1495014]
CYP11A1/Cytochrome P450 11A1 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5246] [GtoPdb: 1358] [UniProtKB: P14137]
ChEMBL Inhibition of cholesterol side chain cleavage cytochrome P450 B 5.53 pIC50 2950 nM IC50 J Med Chem (1992) 35: 2818-2825 [PMID:1495014]
Cytochrome P450 11B1 in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2927] [UniProtKB: P15150]
ChEMBL Inhibition of Corticoid 11-beta-hydroxylase cytochrome P450 B 6.61 pIC50 247 nM IC50 J Med Chem (1992) 35: 2818-2825 [PMID:1495014]
CYP19A1/Cytochrome P450 19A1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1978] [GtoPdb: 1362] [UniProtKB: P11511]
GtoPdb - - 5.4 pIC50 - - - J Med Chem (1992) 35: 2818-25 [PMID:1495014]
ChEMBL Inhibition of cytochrome P450 19A1 involved in steroid biosynthesis B 5.4 pIC50 3980 nM IC50 J Med Chem (1992) 35: 2818-2825 [PMID:1495014]
CYP21A2/Cytochrome P450 21 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2759] [GtoPdb: 1364] [UniProtKB: P08686]
ChEMBL Inhibition of Progesterone 21-hydroxylase cytochrome P450 21 B 5.35 pIC50 4460 nM IC50 J Med Chem (1992) 35: 2818-2825 [PMID:1495014]
CYP21A2 in Rat [GtoPdb: 1364]
GtoPdb - - 5.4 pIC50 4460 nM IC50 J Med Chem (1992) 35: 2818-25 [PMID:1495014]
CYP51A1/Cytochrome P450 51 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4981] [GtoPdb: 1374] [UniProtKB: Q64654]
ChEMBL Inhibition of lanosterol 14 alpha-demethylase cytochrome P450 51A B 5.8 pIC50 1600 nM IC50 J Med Chem (1992) 35: 2818-2825 [PMID:1495014]
CYP7A1 in Human [GtoPdb: 1354] [UniProtKB: P22680]
GtoPdb - - 9.7 pIC50 - - - J Med Chem (1992) 35: 2818-25 [PMID:1495014]
CYP7A1/Cytochrome P450 7A1 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2339] [GtoPdb: 1354] [UniProtKB: P18125]
ChEMBL Inhibition of cytochrome P450 Cholesterol 7-alpha-hydroxylase B 6.26 pIC50 546 nM IC50 J Med Chem (1992) 35: 2818-2825 [PMID:1495014]
CYP11B1 in Human [GtoPdb: 1359] [UniProtKB: P15538]
GtoPdb - - 6.9 pIC50 - - - J Med Chem (1992) 35: 2818-25 [PMID:1495014]

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]