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, DWJ-211, DWJ211, Kybella, NSC-8797) |
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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 (target type: ORGANISM) [ChEMBL: CHEMBL364] | ||||||||
| 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 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]
