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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Bile acid receptor | ||
| Ligand | BDBM50535387 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1930301 (CHEMBL4433552) | ||
| EC50 | 830±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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| BDBM50535387 | |||
| n/a | |||
| Name | BDBM50535387 | ||
| Synonyms: | CHEMBL4585144 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C26H23Cl2NO3 | ||
| Mol. Mass. | 468.372 | ||
| SMILES | CC(C)c1onc(c1COc1ccc(cc1)-c1cccc(CO)c1)-c1c(Cl)cccc1Cl |(9.38,-47,;7.84,-46.85,;7.21,-45.44,;6.94,-48.1,;5.4,-48.1,;4.93,-49.57,;6.19,-50.47,;7.42,-49.56,;8.89,-50.03,;10.03,-48.99,;11.5,-49.46,;11.82,-50.96,;13.28,-51.43,;14.42,-50.39,;14.09,-48.88,;12.62,-48.42,;15.89,-50.86,;16.22,-52.36,;17.68,-52.83,;18.82,-51.79,;18.48,-50.28,;19.62,-49.23,;21.09,-49.7,;17.02,-49.82,;6.2,-52.01,;7.53,-52.77,;8.86,-52,;7.54,-54.33,;6.2,-55.1,;4.86,-54.33,;4.87,-52.78,;3.53,-52.01,)| | ||
| Structure | 
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