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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Bile acid receptor | ||
| Ligand | BDBM50609034 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_2276112 | ||
| EC50 | <50±n/a nM | ||
| Citation |  Fang, Y; Hegazy, L; Finck, BN; Elgendy, B Recent Advances in the Medicinal Chemistry of Farnesoid X Receptor. J Med Chem64:17545-17571 (2021) [PubMed] | ||
| 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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| BDBM50609034 | |||
| n/a | |||
| Name | BDBM50609034 | ||
| Synonyms: | CHEMBL5282568 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C27H26Cl2FN3O6S | ||
| Mol. Mass. | 610.481 | ||
| SMILES | [H][C@]12CC[C@]([H])(C[C@@H](C1)OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1)N2S(=O)(=O)Nc1ccc(cc1F)C(O)=O |r,wD:7.9,1.0,4.4,(-1.28,3.7,;-1.28,2.16,;-1.95,1.03,;-1.28,-.15,;.05,-.15,;.05,-1.69,;-1.28,-.92,;-2.62,-.15,;-2.62,1.39,;-3.95,-.92,;-5.28,-.15,;-6.62,-.92,;-8,-.31,;-9.03,-1.44,;-8.26,-2.77,;-6.77,-2.46,;-5.64,-3.49,;-4.16,-3.03,;-3.76,-1.54,;-3.03,-4.05,;-3.33,-5.54,;-4.82,-6,;-5.95,-4.98,;-7.39,-5.44,;-8.31,1.23,;-9.39,2.36,;-7.85,2.67,;.05,1.39,;1.39,2.16,;.62,3.49,;2.16,3.49,;2.72,1.38,;4.05,2.16,;4.05,3.7,;5.39,4.46,;6.72,3.69,;6.72,2.16,;5.39,1.38,;5.39,-.16,;8.05,4.46,;9.39,3.69,;8.05,6,)| | ||
| Structure | 
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