Reaction Details | |||
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Target | Bile acid receptor | ||
Ligand | BDBM50336399 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_716784 (CHEMBL1670706) | ||
IC50 | 830±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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BDBM50336399 | |||
n/a | |||
Name | BDBM50336399 | ||
Synonyms: | CHEMBL1668252 | trans-2-(4-((S)-2-(2-(4-chlorophenyl)-5,6-difluoro-1H-benzo[d]imidazol-1-yl)-2-cyclohexylacetamido)cyclohexyloxy)acetic acid | ||
Type | Small organic molecule | ||
Emp. Form. | C28H31ClF2N4O4 | ||
Mol. Mass. | 561.02 | ||
SMILES | OC(=O)CO[C@H]1CC[C@@H](CC1)NC(=O)[C@H](C1CCCCC1)n1c(nc2cc(F)c(F)cc12)-c1ccc(Cl)nc1 |r,wU:14.22,5.4,wD:8.11,(22.55,-43.58,;23.89,-44.35,;23.89,-45.89,;25.22,-43.58,;26.55,-44.35,;27.89,-43.58,;27.89,-42.04,;29.22,-41.27,;30.55,-42.03,;30.56,-43.57,;29.22,-44.35,;31.89,-41.27,;33.22,-42.05,;33.21,-43.59,;34.56,-41.29,;35.88,-42.07,;35.86,-43.61,;37.18,-44.39,;38.53,-43.64,;38.54,-42.1,;37.21,-41.31,;34.57,-39.75,;35.47,-38.49,;34.55,-37.24,;33.08,-37.73,;31.75,-36.97,;30.42,-37.74,;29.08,-36.97,;30.41,-39.28,;29.08,-40.05,;31.75,-40.05,;33.09,-39.28,;37.01,-38.48,;37.77,-37.14,;39.3,-37.13,;40.09,-38.46,;41.63,-38.45,;39.32,-39.8,;37.79,-39.81,)| | ||
Structure |