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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Bile acid receptor | ||
| Ligand | BDBM50323543 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_644901 (CHEMBL1211231) | ||
| EC50 | 107±n/a nM | ||
| Citation |  Abel, U; Schlüter, T; Schulz, A; Hambruch, E; Steeneck, C; Hornberger, M; Hoffmann, T; Perovic-Ottstadt, S; Kinzel, O; Burnet, M; Deuschle, U; Kremoser, C Synthesis and pharmacological validation of a novel series of non-steroidal FXR agonists. Bioorg Med Chem Lett20:4911-7 (2010) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Bile acid receptor | |||
| Name: | Bile acid receptor | ||
| Synonyms: | BAR | Bile acid receptor FXR | FXR | Farnesol receptor HRR-1 | HRR1 | NR1H4 | NR1H4_HUMAN | Nuclear receptor subfamily 1 group H member 4 | RIP14 | RXR-interacting protein 14 | Retinoid X receptor-interacting protein 14 | farnesoid x receptor | ||
| Type: | Nuclear Receptor | ||
| Mol. Mass.: | 55916.24 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | Q96RI1 | ||
| Residue: | 486 | ||
| Sequence: |
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| BDBM50323543 | |||
| n/a | |||
| Name | BDBM50323543 | ||
| Synonyms: | 3-(1-(6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxazol-4-yl)methoxy)-2-(trifluoromethyl)pyridin-3-yl)ethoxy)benzoic acid | CHEMBL1209364 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C28H21Cl2F3N2O5 | ||
| Mol. Mass. | 593.378 | ||
| SMILES | CC(Oc1cccc(c1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F |(-2.38,-48.45,;-2.39,-46.91,;-3.72,-46.14,;-5.05,-46.92,;-5.05,-48.47,;-6.39,-49.24,;-7.72,-48.47,;-7.72,-46.92,;-6.39,-46.15,;-9.05,-46.15,;-10.39,-46.92,;-9.05,-44.61,;-1.06,-46.13,;-1.07,-44.6,;.26,-43.82,;1.6,-44.59,;2.94,-43.81,;4.28,-44.58,;5.6,-43.81,;6.07,-42.34,;7.62,-42.34,;8.11,-43.8,;6.86,-44.72,;6.86,-46.25,;8.2,-47.01,;9.52,-46.23,;8.21,-48.55,;6.87,-49.33,;5.54,-48.56,;5.53,-47.02,;4.19,-46.26,;5.16,-41.1,;4.99,-39.57,;3.75,-40.48,;1.61,-46.13,;.28,-46.9,;.28,-48.44,;-1.05,-49.21,;1.61,-49.21,;.26,-49.98,)| | ||
| Structure | 
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