CITCO [Ligand Id: 2758] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL458603
  • Constitutive androstane receptor/Nuclear receptor subfamily 1 group I member 3 in Human [ChEMBL: CHEMBL5503] [GtoPdb: 607] [UniProtKB: Q14994]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
Constitutive androstane receptor/Nuclear receptor subfamily 1 group I member 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5503] [GtoPdb: 607] [UniProtKB: Q14994]
ChEMBL Agonist activity at human CAR transfected in human HepG2 cells cotransfected with CYP2B6 incubated for 23 hrs by luciferase reported gene assay B 6.21 pEC50 620 nM EC50 ACS Med Chem Lett (2019) 10: 1039-1044 [PMID:31312405]
ChEMBL Agonist activity at human constitutive androstane receptor expressed in HepG2 cells co-expressing CYP2B6 incubated for 23 hrs by One-Glo luciferase reporter gene assay B 6.24 pEC50 570 nM EC50 Eur J Med Chem (2019) 179: 84-99 [PMID:31247375]
ChEMBL Agonist activity at human CAR3 expressed in African green monkey COS-1 cells cotransfected with RXRalpha after 24 hrs by CYP2B6-luciferase reporter gene assay B 6.29 pEC50 510 nM EC50 J Med Chem (2016) 59: 4601-4610 [PMID:27145071]
ChEMBL Agonist activity at human CAR expressed in HEK293 cells by luciferase reporter gene assay B 7.12 pEC50 75 nM EC50 Bioorg Med Chem Lett (2014) 24: 5265-5267 [PMID:25305688]
GtoPdb - - 7.3 pEC50 - - - J Biol Chem (2003) 278: 17277-83 [PMID:12611900]
ChEMBL Agonist activity at Polyhistidine-tagged human CAR LBD expressed in Escherichia coli by FRET-based assay B 7.31 pEC50 49 nM EC50 J Med Chem (2019) 62: 2112-2126 [PMID:30702885]
ChEMBL Agonist activity at CAR LBD (108 to 348 residues) expressed in human HepG2 cells assessed as receptor binding to PGC1alpha by lanthascreenTR-FRET coactivator assay B 7.7 pEC50 20 nM EC50 J Med Chem (2016) 59: 4601-4610 [PMID:27145071]
ChEMBL Agonist activity at human CAR B 8.3 pEC50 5 nM EC50 J Med Chem (2016) 59: 9201-9214 [PMID:27652492]
Pregnane X receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3401] [GtoPdb: 606] [UniProtKB: O75469]
ChEMBL Agonist activity at human PXR transfected in human HepG2 cells cotransfected with CYP3A4 incubated for 23 hrs by luciferase reporter gene assay B 6 pEC50 990 nM EC50 ACS Med Chem Lett (2019) 10: 1039-1044 [PMID:31312405]

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]