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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Bile acid receptor | ||
| Ligand | BDBM50535372 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1930301 (CHEMBL4433552) | ||
| EC50 | 1150±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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| BDBM50535372 | |||
| n/a | |||
| Name | BDBM50535372 | ||
| Synonyms: | CHEMBL4532035 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C28H25Cl2NO5 | ||
| Mol. Mass. | 526.408 | ||
| SMILES | COC(=O)c1cccc(OCc2ccc(OCc3c(onc3-c3c(Cl)cccc3Cl)C(C)C)cc2)c1 |(71.09,-4.84,;69.95,-5.88,;68.48,-5.42,;68.15,-3.92,;67.35,-6.46,;67.69,-7.97,;66.55,-9.01,;65.08,-8.55,;64.76,-7.05,;63.29,-6.58,;62.15,-7.62,;60.69,-7.15,;59.55,-8.19,;58.08,-7.72,;57.76,-6.22,;56.29,-5.75,;55.15,-6.79,;53.68,-6.32,;53.2,-4.86,;51.66,-4.86,;51.19,-6.33,;52.45,-7.23,;52.46,-8.77,;53.79,-9.54,;55.12,-8.76,;53.8,-11.09,;52.46,-11.86,;51.13,-11.09,;51.13,-9.54,;49.79,-8.77,;54.11,-3.61,;55.64,-3.77,;53.47,-2.21,;58.89,-5.18,;60.35,-5.64,;65.88,-6,)| | ||
| Structure | 
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