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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Bile acid receptor | ||
| Ligand | BDBM50041477 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1443618 (CHEMBL3378990) | ||
| EC50 | 42±n/a nM | ||
| Citation |  Smalley, TL; Boggs, S; Caravella, JA; Chen, L; Creech, KL; Deaton, DN; Kaldor, I; Parks, DJ Novel heterocyclic scaffolds of GW4064 as farnesoid X receptor agonists. Bioorg Med Chem Lett25:280-4 (2014) [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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| BDBM50041477 | |||
| n/a | |||
| Name | BDBM50041477 | ||
| Synonyms: | CHEMBL3357422 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C28H23Cl3N2O3 | ||
| Mol. Mass. | 541.853 | ||
| SMILES | CC(C)c1cnn(c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl |(62.92,-25.95,;62.61,-27.46,;61.15,-27.95,;63.77,-28.48,;65.27,-28.15,;66.05,-29.48,;65.02,-30.63,;63.62,-30.01,;62.29,-30.78,;60.96,-30.02,;59.63,-30.8,;58.28,-30.03,;56.96,-30.81,;56.97,-32.34,;55.64,-33.12,;54.3,-32.35,;52.97,-33.13,;52.97,-34.68,;51.64,-35.45,;50.3,-34.68,;50.3,-33.13,;51.63,-32.36,;48.97,-32.37,;48.97,-30.83,;47.63,-33.14,;58.3,-33.11,;58.3,-34.65,;59.63,-32.34,;65,-32.17,;63.65,-32.91,;62.33,-32.12,;63.62,-34.45,;64.94,-35.24,;66.29,-34.49,;66.31,-32.95,;67.65,-32.2,)| | ||
| Structure | 
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