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 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 33:
Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
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]
