5β-pregnane-3,20-dione [Ligand Id: 2759] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL486954
  • aldo-keto reductase family 1 member B/Aldo-keto reductase family 1 member B1 in Human [ChEMBL: CHEMBL1900] [GtoPdb: 2768] [UniProtKB: P15121]
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  • Aldo-keto reductase family 1 member B10 in Human [ChEMBL: CHEMBL5983] [UniProtKB: O60218]
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  • Pregnane X receptor in Human [GtoPdb: 606] [UniProtKB: O75469]
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  • Constitutive androstane receptor in Human [GtoPdb: 607] [UniProtKB: Q14994]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
aldo-keto reductase family 1 member B/Aldo-keto reductase family 1 member B1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1900] [GtoPdb: 2768] [UniProtKB: P15121]
ChEMBL Inhibition of AKR1B1 (unknown origin) B 5.05 pIC50 9000 nM IC50 J Med Chem (2025) 68: 860-885 [PMID:39757466]
Aldo-keto reductase family 1 member B10 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5983] [UniProtKB: O60218]
ChEMBL Inhibition of AKR1B10 (unknown origin) B 6.11 pIC50 780 nM IC50 J Med Chem (2025) 68: 860-885 [PMID:39757466]
Pregnane X receptor in Human [GtoPdb: 606] [UniProtKB: O75469]
GtoPdb - - 6.4 pIC50 400 nM IC50 Mol Endocrinol (2000) 14: 27-39 [PMID:10628745]
Constitutive androstane receptor in Human [GtoPdb: 607] [UniProtKB: Q14994]
GtoPdb - - 6.17 pEC50 - - - J Biol Chem (2000) 275: 15122-7 [PMID:10748001]

ChEMBL data shown on this page come from version 37:

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]