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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Bile acid receptor | ||
| Ligand | BDBM50544022 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1991214 (CHEMBL4624949) | ||
| EC50 | 105±n/a nM | ||
| Citation |  Masuda, A; Gohda, K; Iguchi, Y; Fujimori, K; Yamashita, Y; Oda, K; Une, M; Teno, N N Bioorg Med Chem28:0 (2020) [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: |
| ||
| BDBM50544022 | |||
| n/a | |||
| Name | BDBM50544022 | ||
| Synonyms: | CHEMBL4644859 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C34H26Cl2FN3O4 | ||
| Mol. Mass. | 630.492 | ||
| SMILES | CC(C)c1onc(c1COc1ccc(cc1)-c1nc2ccc(cc2n1Cc1ccc(F)cc1)C(O)=O)-c1c(Cl)cccc1Cl |(37.39,-34.35,;38.01,-32.94,;39.55,-32.78,;37.11,-31.7,;35.57,-31.7,;35.09,-30.23,;36.34,-29.32,;37.58,-30.23,;39.05,-29.75,;40.2,-30.78,;41.67,-30.31,;42.81,-31.34,;44.27,-30.87,;44.6,-29.36,;43.44,-28.32,;41.98,-28.81,;46.06,-28.88,;47.3,-29.78,;48.55,-28.87,;50.05,-29.18,;51.08,-28.04,;50.59,-26.57,;49.09,-26.27,;48.07,-27.41,;46.53,-27.41,;45.62,-26.16,;46.24,-24.76,;47.77,-24.61,;48.39,-23.2,;47.49,-21.96,;48.1,-20.56,;45.95,-22.13,;45.34,-23.53,;51.61,-25.42,;53.12,-25.74,;51.13,-23.96,;36.33,-27.78,;37.67,-27,;39,-27.77,;37.66,-25.45,;36.32,-24.69,;34.99,-25.46,;34.99,-27,;33.66,-27.78,)| | ||
| Structure | 
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