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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Bile acid receptor | ||
| Ligand | BDBM50535371 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1930301 (CHEMBL4433552) | ||
| EC50 | 730±n/a nM | ||
| Citation |  Sepe, V; Marchianò, S; Finamore, C; Baronissi, G; Di Leva, FS; Carino, A; Biagioli, M; Fiorucci, C; Cassiano, C; Monti, MC; Del Gaudio, F; Novellino, E; Limongelli, V; Fiorucci, S; Zampella, A Novel Isoxazole Derivatives with Potent FXR Agonistic Activity Prevent Acetaminophen-Induced Liver Injury. ACS Med Chem Lett10:407-412 (2019) [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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| BDBM50535371 | |||
| n/a | |||
| Name | BDBM50535371 | ||
| Synonyms: | CHEMBL4455911 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C28H25Cl2NO5 | ||
| Mol. Mass. | 526.408 | ||
| SMILES | COC(=O)c1ccc(OCc2ccc(OCc3c(onc3-c3c(Cl)cccc3Cl)C(C)C)cc2)cc1 |(65.15,-52.07,;63.68,-51.61,;62.55,-52.65,;62.88,-54.15,;61.08,-52.18,;59.94,-53.22,;58.47,-52.76,;58.15,-51.26,;56.68,-50.79,;55.54,-51.83,;54.08,-51.36,;52.94,-52.4,;51.47,-51.93,;51.15,-50.43,;49.68,-49.96,;48.54,-51,;47.07,-50.53,;46.59,-49.07,;45.05,-49.07,;44.58,-50.54,;45.84,-51.44,;45.85,-52.98,;47.18,-53.75,;48.51,-52.97,;47.19,-55.3,;45.85,-56.07,;44.52,-55.3,;44.52,-53.75,;43.18,-52.98,;47.5,-47.82,;49.03,-47.98,;46.87,-46.42,;52.28,-49.39,;53.74,-49.85,;59.27,-50.21,;60.74,-50.67,)| | ||
| Structure | 
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