Reaction Details | |||
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Target | Bile acid receptor | ||
Ligand | BDBM50323532 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_644903 (CHEMBL1211233) | ||
EC50 | 216±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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BDBM50323532 | |||
n/a | |||
Name | BDBM50323532 | ||
Synonyms: | 2-(3-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazol-4-yl)methoxy)-2-(trifluoromethyl)pyridin-3-yl)(methyl)amino)methyl)benzamido)ethyl dihydrogen phosphate | CHEMBL1209172 | ||
Type | Small organic molecule | ||
Emp. Form. | C30H30Cl2F3N4O7P | ||
Mol. Mass. | 717.457 | ||
SMILES | CC(C)c1onc(c1COc1ccc(N(C)Cc2cccc(c2)C(=O)NCCOP(O)(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl |(29.58,-28.23,;28.96,-29.64,;27.43,-29.81,;29.87,-30.88,;31.42,-30.88,;31.91,-32.35,;30.66,-33.26,;29.4,-32.36,;28.08,-33.12,;26.74,-32.36,;25.4,-33.13,;24.06,-32.37,;22.73,-33.14,;22.74,-34.67,;21.41,-35.45,;21.42,-36.99,;20.08,-34.68,;18.75,-35.46,;17.41,-34.7,;16.08,-35.47,;16.08,-37.01,;17.41,-37.78,;18.75,-37.01,;17.41,-39.32,;18.75,-40.09,;16.08,-40.09,;14.75,-39.32,;13.41,-40.09,;12.08,-39.32,;10.74,-40.09,;9.96,-41.42,;11.5,-41.42,;9.41,-39.32,;24.08,-35.45,;25.41,-34.67,;24.08,-36.99,;22.75,-37.76,;25.41,-37.75,;24.06,-38.52,;30.66,-34.79,;32,-35.55,;33.32,-34.77,;32.01,-37.09,;30.67,-37.87,;29.34,-37.11,;29.33,-35.57,;27.99,-34.8,)| | ||
Structure |