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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Bile acid receptor | ||
| Ligand | BDBM50323535 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_644903 (CHEMBL1211233) | ||
| EC50 | 113±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: |
| ||
| BDBM50323535 | |||
| n/a | |||
| Name | BDBM50323535 | ||
| Synonyms: | 4-(((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxazol-4-yl)methoxy)-2-(trifluoromethyl)pyridin-3-yl)(ethyl)amino)methyl)benzoic acid | CHEMBL1209175 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C29H24Cl2F3N3O4 | ||
| Mol. Mass. | 606.42 | ||
| SMILES | CCN(Cc1ccc(cc1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F |(-3.51,-2.57,;-2.18,-1.8,;-2.18,-.26,;-3.52,.51,;-4.85,-.27,;-4.85,-1.82,;-6.18,-2.59,;-7.52,-1.82,;-7.52,-.27,;-6.19,.5,;-8.85,-2.59,;-10.19,-1.81,;-8.85,-4.13,;-.85,.52,;-.87,2.05,;.46,2.83,;1.8,2.06,;3.14,2.84,;4.48,2.07,;5.8,2.84,;6.27,4.31,;7.83,4.31,;8.31,2.85,;7.06,1.93,;7.07,.4,;8.4,-.36,;9.73,.42,;8.41,-1.89,;7.08,-2.68,;5.74,-1.91,;5.73,-.37,;4.4,.39,;5.36,5.55,;5.19,7.08,;3.95,6.17,;1.81,.52,;.48,-.25,;.48,-1.79,;-.85,-2.56,;1.82,-2.56,;.47,-3.33,)| | ||
| Structure | 
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