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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Bile acid receptor | ||
| Ligand | BDBM50323517 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_644903 (CHEMBL1211233) | ||
| EC50 | 208±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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| BDBM50323517 | |||
| n/a | |||
| Name | BDBM50323517 | ||
| Synonyms: | 4-((6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazol-4-yl)methoxy)-2-(trifluoromethyl)pyridin-3-yl)(methyl)carbamoyl)benzoic acid | CHEMBL1208794 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C28H22Cl2F3N3O5 | ||
| Mol. Mass. | 608.393 | ||
| SMILES | CC(C)c1onc(c1COc1ccc(N(C)C(=O)c2ccc(cc2)C(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl |(28.16,6.8,;27.54,5.39,;26.01,5.23,;28.45,4.15,;30,4.15,;30.48,2.69,;29.23,1.77,;27.98,2.68,;26.65,1.9,;25.31,2.66,;23.98,1.88,;22.63,2.65,;21.31,1.87,;21.32,.34,;19.99,-.43,;20,-1.97,;18.65,.33,;18.65,1.87,;17.32,-.44,;15.99,.32,;14.66,-.45,;14.66,-2,;15.99,-2.77,;17.33,-1.99,;13.32,-2.76,;11.99,-1.99,;13.32,-4.3,;22.65,-.43,;23.98,.34,;22.66,-1.97,;21.32,-2.74,;23.99,-2.74,;22.64,-3.51,;29.24,.24,;30.57,-.52,;31.9,.26,;30.58,-2.06,;29.25,-2.84,;27.91,-2.07,;27.9,-.54,;26.57,.23,)| | ||
| Structure | 
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