chenodeoxycholic acid [Ligand Id: 608] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL240597 (Chenodeoxycholate, NSC-657949, Combidol, Xenbilox, Chenofalk, Chenodeoxycholic Acid, Chenix, Lithofalk, Chenodiol, Chendol 125, Chendol 250, Chenic Acid, Chenocedon)
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  • Farnesoid X receptor/Bile acid receptor FXR in Human [ChEMBL: CHEMBL2047] [GtoPdb: 603] [UniProtKB: Q96RI1]
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  • Retinoid X receptor-α/Bile acid receptor/Retinoic acid receptor RXR-alpha in Mouse [ChEMBL: CHEMBL3885529] [GtoPdb: 610] [UniProtKB: P28700Q60641]
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  • GPBA receptor/G-protein coupled bile acid receptor 1 in Human [ChEMBL: CHEMBL5409] [GtoPdb: 37] [UniProtKB: Q8TDU6]
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  • Sodium/bile acid and sulphated solute cotransporter 2/Ileal bile acid transporter in Human [ChEMBL: CHEMBL2778] [GtoPdb: 960] [UniProtKB: Q12908]
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  • FPR1 in Human [GtoPdb: 222] [UniProtKB: P21462]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
Bile acid receptor in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5343] [UniProtKB: Q60641]
ChEMBL Agonist activity at mouse FXR expressed in HEK293 cells co-expressing mouse RXRalpha and ECRE-luc by luciferase reporter gene assay F 4.77 pEC50 16800 nM EC50 Bioorg. Med. Chem. (2011) 19: 7168-7180 [PMID:22018919]
Farnesoid X receptor/Bile acid receptor FXR in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2047] [GtoPdb: 603] [UniProtKB: Q96RI1]
ChEMBL Activation of human farnesoid X receptor; range is 10-30 B 4.52 pEC50 30000 nM EC50 J. Med. Chem. (2005) 48: 5383-5403 [PMID:16107136]
ChEMBL Agonist activity at human recombinant FXR expressed in HEK293 cells coexpressing CMX-GAL4N by luciferase reporter gene assay F 4.57 pEC50 27000 nM EC50 Bioorg. Med. Chem. Lett. (2012) 22: 3962-3966 [PMID:22583617]
ChEMBL Agonistic activity at FXR in HEK293 cells by GAL4 transactivation activity F 4.57 pEC50 27000 nM EC50 Bioorg. Med. Chem. (2007) 15: 2587-2600 [PMID:17292610]
ChEMBL Agonist activity at human GST-fused FXR LBD assessed as coactivator interaction with receptor ligand binding domain by Alphascreen assay B 4.68 pEC50 21000 nM EC50 Bioorg. Med. Chem. (2011) 19: 2650-2658 [PMID:21459580]
ChEMBL Agonist activity at human FXR expressed in human HeLa cells assessed as receptor activation by BSEP promoter-driven firefly luciferase reporter gene assay B 4.74 pEC50 18000 nM EC50 J. Med. Chem. (2014) 57: 8035-8055 [PMID:25255039]
ChEMBL Agonist activity at human full length FXR expressed in HeLa cells cotransfected with pSG5-human RXR after 24 hrs by Dual-Glo luciferase reporter gene assay B 4.74 pEC50 18000 nM EC50 Bioorg. Med. Chem. (2015) 23: 3490-3498 [PMID:25934227]
ChEMBL Agonist activity at farnesoid x receptor(unknown origin) B 4.74 pEC50 18000 nM EC50 Bioorg. Med. Chem. (2016) 24: 3232-3245 [PMID:27240466]
ChEMBL Agonist activity at GST-tagged FXR-LBD (unknown origin) assessed as biotin-labeled SRC-1 recruitment after 30 mins by Alpha Screen assay B 4.82 pEC50 15000 nM EC50 Eur J Med Chem (2018) 144: 349-358 [PMID:29275233]
ChEMBL Agonist activity at human FXR expressed in COS1 cells after 5 hrs by CRE-driven luciferase reporter gene assay F 4.89 pEC50 13000 nM EC50 J. Med. Chem. (2007) 50: 4265-4268 [PMID:17685603]
ChEMBL Agonist activity at GST-tagged FXR-LBD using biotinylated-SRC-1 peptide as substrate preincubated with compound for 30 mins measured after 4 hrs F 4.89 pEC50 13000 nM EC50 ACS Med. Chem. Lett. (2012) 3: 273-277 [PMID:24900463]
ChEMBL Agonist activity at human FXR expressed in COS1 cells by luciferase assay F 4.89 pEC50 13000 nM EC50 J. Med. Chem. (2008) 51: 1831-1841 [PMID:18307294]
ChEMBL Agonist activity at FXR (unknown origin) B 4.89 pEC50 13000 nM EC50 Bioorg. Med. Chem. (2016) 24: 3986-3993 [PMID:27372840]
ChEMBL Agonist activity at FXR expressed in COS1 cells by cell-based bioluminescence assay F 4.89 pEC50 13000 nM EC50 J. Med. Chem. (2009) 52: 7958-7961 [PMID:20014870]
ChEMBL Agonist activity at human recombinant FXR by transactivation of TK-MH100x4-LUC reporter gene in HEK293 cells F 4.93 pEC50 11700 nM EC50 Bioorg. Med. Chem. Lett. (2006) 16: 3213-3218 [PMID:16617018]
ChEMBL Agonist activity at FXR F 5 pEC50 10000 nM EC50 Bioorg. Med. Chem. (2011) 19: 6779-6791 [PMID:22014750]
ChEMBL Agonist activity at FXR (unknown origin) assessed as recruitment of SRC1 peptide to FXR by FRET assay B 5.05 pEC50 9000 nM EC50 J Med Chem (2017) 60: 5235-5266 [PMID:28252961]
ChEMBL Binding affinity for Farnesoid X Receptor (FXR) B 5.06 pEC50 8660 nM EC50 Bioorg. Med. Chem. Lett. (2003) 13: 1865-1868 [PMID:12749886]
ChEMBL Effective concentration against Farnesoid X receptor (FXR) B 5.06 pEC50 8660 nM EC50 J. Med. Chem. (2002) 45: 3569-3572 [PMID:12166927]
ChEMBL Binding affinity for human Farnesoid X receptor in FRET assay B 5.06 pEC50 8660 nM EC50 J. Med. Chem. (2004) 47: 4559-4569 [PMID:15317466]
ChEMBL Binding affinity to FXR assessed as ligand-dependent SRC1 recruitment by FRET based co-activator assay F 5.06 pEC50 8660 nM EC50 J. Med. Chem. (2006) 49: 4208-4215 [PMID:16821780]
ChEMBL Agonist activity at human FXR assessed as recruitment of SRC1 peptide by TR-FRET assay B 5.06 pEC50 8660 nM EC50 ACS Med Chem Lett (2017) 8: 1246-1251 [PMID:29259742]
ChEMBL Transactivation of full-length FXR (unknown origin) expressed in HEK293 cells after 18 hrs by dual-glo luciferase reporter gene assay B 5.15 pEC50 7010 nM EC50 MedChemComm (2018) 9: 1630-1638
ChEMBL Agonist activity at FXR assessed as activation by cell based luciferase transactivation assay F 5.2 pEC50 6310 nM EC50 Bioorg. Med. Chem. Lett. (2008) 18: 5497-5502 [PMID:18815030]
GtoPdb - - 5.3 pEC50 - - - Science (1999) 284: 1365-8 [PMID:10334993];
Mol. Cell (1999) 3: 543-53 [PMID:10360171]
ChEMBL Effective concentration for recruitment of SRC-1 LxxLL-containing peptide to human Farnesoid X receptor B 5.46 pEC50 3500 nM EC50 J. Med. Chem. (2005) 48: 5383-5403 [PMID:16107136]
ChEMBL Ligand dependent recruitment of SRC1(676-700) peptide to human Farnesoid X-activated receptor by fluorescence resonance energy transfer assay B 5.47 pEC50 3400 nM EC50 J. Med. Chem. (2000) 43: 2971-2974 [PMID:10956205]
Retinoid X receptor-α/Bile acid receptor/Retinoic acid receptor RXR-alpha in Mouse (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL3885529] [GtoPdb: 610] [UniProtKB: P28700Q60641]
ChEMBL Agonist activity at full length mouse FXR/RXRalpha expressed in human HEK293 cells assessed as induction of transcriptional activity after 18 hrs by dual luciferase reporter gene assay F 4.77 pEC50 16800 nM EC50 Bioorg. Med. Chem. (2011) 19: 6779-6791 [PMID:22014750]
GPBA receptor/G-protein coupled bile acid receptor 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5409] [GtoPdb: 37] [UniProtKB: Q8TDU6]
ChEMBL Agonist activity at human TGR5 receptor expressed in NCI-H716 cells assessed as intracellular cAMP level by TR-FRET assay F 4.52 pEC50 30000 nM EC50 Bioorg. Med. Chem. (2011) 19: 2650-2658 [PMID:21459580]
ChEMBL Agonist activity at wild type TGR5 (unknown origin) B 4.99 pEC50 10290 nM EC50 ACS Med. Chem. Lett. (2013) 4: 1158-1162 [PMID:24900622]
ChEMBL Agonist activity at human TGR5 expressed in CHO cells after 5 hrs by CRE-driven luciferase reporter gene assay F 5.17 pEC50 6710 nM EC50 J. Med. Chem. (2007) 50: 4265-4268 [PMID:17685603]
ChEMBL Agonist activity at human TGR5 expressed in CHO cells by luciferase assay F 5.17 pEC50 6710 nM EC50 J. Med. Chem. (2008) 51: 1831-1841 [PMID:18307294]
ChEMBL Agonist activity at TGR5 expressed in NCI-H716 cells assessed as cAMP level after 60 mins by FRET analysis F 5.17 pEC50 6700 nM EC50 ACS Med. Chem. Lett. (2012) 3: 273-277 [PMID:24900463]
ChEMBL Agonist activity at human GPBAR1 expressed in HEK293 cells assessed as increase in intracellular cAMP level after 30 mins by cAMP-Glo assay B 5.21 pEC50 6100 nM EC50 Bioorg. Med. Chem. (2015) 23: 1613-1628 [PMID:25735208]
GtoPdb - - 5.4 pEC50 - - - Biochem. Biophys. Res. Commun. (2002) 298: 714-9 [PMID:12419312]
Sodium/bile acid and sulphated solute cotransporter 2/Ileal bile acid transporter in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2778] [GtoPdb: 960] [UniProtKB: Q12908]
ChEMBL TP_TRANSPORTER: inhibition of Taurocholate uptake in ASBT-expressing COS cells F 5.48 pKi 3300 nM Ki Am. J. Physiol. (1998) 274: G157-G169 [PMID:9458785]
Plasmodium falciparum 3D7 (target type: ORGANISM) [ChEMBL: CHEMBL2366922]
ChEMBL Antiplasmodial activity against Plasmodium falciparum 3D7 assessed as reduction in parasite viability by parasite lactate dehydrogenase assay F 4.72 pIC50 18900 nM IC50 Eur. J. Med. Chem. (2015) 100: 10-17 [PMID:26063305]
Vitamin D receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1977] [GtoPdb: 605] [UniProtKB: P11473]
ChEMBL Antagonist activity against VP16 tagged-VDR-LBD (unknown origin) expressed in HEK293T cells assessed as inhibition of 1,25-dihydroxyvitamin D3-induced SRC1 coactivator peptide recruitment after 16 hrs by luciferase reporter gene based two hybrid assay B 4.3 pIC50 >50000 nM IC50 Eur. J. Med. Chem. (2016) 109: 238-246 [PMID:26774929]
FPR1 in Human [GtoPdb: 222] [UniProtKB: P21462]
GtoPdb - - 4 pKi - - - Inflamm. Res. (2000) 49: 744-55 [PMID:11211928]

ChEMBL data shown on this page come from version 27:

Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkinson F, Bellis LJ, CibriƔn-Uhalte E, Davies M, Dedman N, Karlsson A, MagariƱos MP, Overington JP, Papadatos G, Smit I, Leach AR. (2017) 'The ChEMBL database in 2017.' Nucleic Acids Res., 45(D1). DOI: 10.1093/nar/gkw1074. [PMCID:5210557]