Reaction Details | |||
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Target | Bile acid receptor | ||
Ligand | BDBM50336396 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_716784 (CHEMBL1670706) | ||
IC50 | 290±n/a nM | ||
Citation | Richter, HG; Benson, GM; Bleicher, KH; Blum, D; Chaput, E; Clemann, N; Feng, S; Gardes, C; Grether, U; Hartman, P; Kuhn, B; Martin, RE; Plancher, JM; Rudolph, MG; Schuler, F; Taylor, S Optimization of a novel class of benzimidazole-based farnesoid X receptor (FXR) agonists to improve physicochemical and ADME properties. Bioorg Med Chem Lett21:1134-40 (2011) [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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BDBM50336396 | |||
n/a | |||
Name | BDBM50336396 | ||
Synonyms: | CHEMBL1668262 | trans-4-((2S)-2-(2-(4-chloro-2-methoxypyridin-3-yl)-5,6-difluoro-1H-benzo[d]imidazol-1-yl)-2-cyclohexylacetamido)cyclohexanecarboxylic acid | ||
Type | Small organic molecule | ||
Emp. Form. | C28H31ClF2N4O4 | ||
Mol. Mass. | 561.02 | ||
SMILES | COc1ccc(-c2nc3cc(F)c(F)cc3n2[C@@H](C2CCCCC2)C(=O)N[C@H]2CC[C@@H](CC2)C(O)=O)c(Cl)n1 |r,wU:17.18,27.29,wD:30.36,(29.58,-17.54,;28.81,-16.2,;27.27,-16.19,;26.5,-17.52,;24.95,-17.52,;24.2,-16.19,;22.19,-16.19,;21.71,-14.72,;20.17,-14.72,;19.11,-13.57,;17.63,-13.9,;16.59,-12.76,;17.16,-15.36,;15.65,-15.68,;18.19,-16.51,;19.69,-16.19,;20.95,-17.09,;20.95,-18.65,;22.28,-19.42,;22.28,-20.96,;23.61,-21.73,;24.95,-20.96,;24.95,-19.42,;23.62,-18.65,;19.61,-19.42,;19.61,-20.96,;18.28,-18.65,;16.94,-19.42,;16.94,-20.97,;15.62,-21.73,;14.31,-20.98,;14.31,-19.44,;15.61,-18.66,;12.95,-21.76,;11.63,-21,;12.95,-23.32,;24.96,-14.85,;24.18,-13.5,;26.51,-14.85,)| | ||
Structure |