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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Bile acid receptor | ||
| Ligand | BDBM50609041 | ||
| 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: |
| ||
| BDBM50609041 | |||
| n/a | |||
| Name | BDBM50609041 | ||
| Synonyms: | CHEMBL5268282 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C29H26Cl2N4O5 | ||
| Mol. Mass. | 581.447 | ||
| SMILES | [H][C@]12CC[C@]([H])(C[C@@H](C1)OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1)N2c1noc(n1)-c1cccc(c1)C(O)=O |r,wD:7.9,4.4,1.0,(.35,1.36,;.35,-.18,;-.32,-1.31,;.35,-2.49,;1.68,-2.49,;1.68,-4.03,;.35,-3.26,;-.99,-2.49,;-.99,-.95,;-2.32,-3.26,;-3.66,-2.49,;-4.99,-3.26,;-6.38,-2.64,;-7.4,-3.77,;-6.63,-5.11,;-5.14,-4.8,;-4.02,-5.82,;-4.32,-7.31,;-5.76,-7.77,;-3.19,-8.34,;-1.71,-7.88,;-1.4,-6.39,;-2.53,-5.36,;-2.13,-3.87,;-6.68,-1.1,;-6.22,.33,;-7.76,.03,;1.68,-.95,;3.01,-.18,;4.42,-.81,;5.45,.34,;4.68,1.67,;3.18,1.35,;5.45,3.01,;7,3.01,;7.76,4.34,;6.99,5.67,;5.45,5.67,;4.68,4.34,;4.68,7,;5.45,8.34,;3.14,7,)| | ||
| Structure | 
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