deoxycholic acid [Ligand Id: 610] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL406393 (ATX-101, ATX-101 (DEOXYCHOLIC ACID), Deoxycholate, Deoxycholic acid, Desoxycholic acid, DWJ211, DWJ-211, Kybella, NSC-8797)
  • Farnesoid X receptor/Bile acid receptor FXR in Human [ChEMBL: CHEMBL2047] [GtoPdb: 603] [UniProtKB: Q96RI1]
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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
Farnesoid X receptor/Bile acid receptor FXR in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2047] [GtoPdb: 603] [UniProtKB: Q96RI1]
ChEMBL Agonist activity at human recombinant FXR expressed in HEK293 cells coexpressing CMX-GAL4N by luciferase reporter gene assay F 4.3 pEC50 50000 nM EC50 Bioorg. Med. Chem. Lett. (2012) 22: 3962-3966 [PMID:22583617]
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 4.35 pEC50 45000 nM EC50 Eur J Med Chem (2018) 144: 349-358 [PMID:29275233]
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 expressed in CHO cells by luciferase assay F 5.9 pEC50 1250 nM EC50 J. Med. Chem. (2008) 51: 1831-1841 [PMID:18307294]
GtoPdb - - 6.2 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 5.2 pKi 6300 nM Ki Am. J. Physiol. (1998) 274: G157-G169 [PMID:9458785]
ChEMBL TP_TRANSPORTER: inhibition of Taurocholate uptake in ASBT-expressing COS cells F 5.2 pKi 6300 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 4.03 pIC50 93600 nM IC50 Eur. J. Med. Chem. (2015) 100: 10-17 [PMID:26063305]
Steroid Delta-isomerase in Pseudomonas putida (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2321641] [UniProtKB: P07445]
ChEMBL Binding affinity to Pseudomonas putida KSI by surface plasmon resonance analysis B 4.8 pKd 16000 nM Kd J. Med. Chem. (2013) 56: 2155-2159 [PMID:23419007]
ChEMBL Binding affinity to Pseudomonas putida KSI by isothermal titration calorimetry B 4.8 pKd 16000 nM Kd J. Med. Chem. (2013) 56: 2155-2159 [PMID:23419007]
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 - - - Biochem Pharmacol (2002) 63: 533-41 [PMID:11853704]

ChEMBL data shown on this page come from version 31:

Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkinson F, Bellis LJ, Cibrián-Uhalte E, Davies M, Dedman N, Karlsson A, Magariños 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]