Search and Browse
Download
Enter Data
| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Bile acid receptor | ||
| Ligand | BDBM50355015 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_772465 (CHEMBL1839256) | ||
| EC50 | 750±n/a nM | ||
| Citation |  Akwabi-Ameyaw, A; Caravella, JA; Chen, L; Creech, KL; Deaton, DN; Madauss, KP; Marr, HB; Miller, AB; Navas, F; Parks, DJ; Spearing, PK; Todd, D; Williams, SP; Wisely, GB Conformationally constrained farnesoid X receptor (FXR) agonists: alternative replacements of the stilbene. Bioorg Med Chem Lett21:6154-60 (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: |
| ||
| BDBM50355015 | |||
| n/a | |||
| Name | BDBM50355015 | ||
| Synonyms: | CHEMBL1834967 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C30H27Cl2NO4 | ||
| Mol. Mass. | 536.446 | ||
| SMILES | CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2C(CCCc2c1)C(O)=O)-c1c(Cl)cccc1Cl |(20.61,-4.33,;20.29,-5.83,;18.83,-6.32,;21.44,-6.86,;22.95,-6.53,;23.72,-7.86,;22.7,-9.01,;21.29,-8.39,;19.96,-9.17,;18.62,-8.4,;17.29,-9.18,;17.3,-10.73,;15.96,-11.5,;14.63,-10.73,;14.63,-9.19,;15.96,-8.41,;13.29,-11.5,;13.3,-13.03,;11.97,-13.81,;10.63,-13.03,;9.3,-13.8,;7.96,-13.03,;7.96,-11.49,;9.29,-10.72,;10.63,-11.49,;11.96,-10.73,;9.31,-15.35,;7.97,-16.12,;10.64,-16.11,;23.02,-10.52,;24.48,-10.98,;25.62,-9.94,;24.82,-12.48,;23.67,-13.52,;22.2,-13.05,;21.88,-11.55,;20.41,-11.07,)| | ||
| Structure | 
| ||