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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Bile acid receptor | ||
| Ligand | BDBM50609029 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_2276110 | ||
| EC50 | 13±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: |
| ||
| BDBM50609029 | |||
| n/a | |||
| Name | BDBM50609029 | ||
| Synonyms: | CHEMBL5276532 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C30H29Cl2N3O5 | ||
| Mol. Mass. | 582.474 | ||
| SMILES | [H][C@]12CC[C@]([H])(C[C@@H](C1)OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1)N2C(=O)N1Cc2cccc(C(O)=O)c2C1 |r,wD:7.9,1.0,4.4,(-1.09,4.85,;-1.09,3.31,;-1.76,2.18,;-1.09,1,;.24,1,;.24,-.54,;-1.09,.23,;-2.42,1,;-2.42,2.54,;-3.76,.23,;-5.09,1,;-6.43,.23,;-7.81,.85,;-8.84,-.28,;-8.07,-1.62,;-6.58,-1.31,;-5.45,-2.34,;-5.76,-3.82,;-7.2,-4.29,;-4.63,-4.85,;-3.14,-4.39,;-2.83,-2.9,;-3.96,-1.87,;-3.56,-.39,;-8.12,2.39,;-7.66,3.82,;-9.2,3.51,;.24,2.54,;1.58,3.31,;1.58,4.85,;2.91,2.54,;3.07,1.01,;4.58,.69,;5.35,-.65,;6.89,-.65,;7.66,.69,;6.89,2.02,;7.66,3.35,;9.2,3.35,;6.89,4.69,;5.35,2.02,;4.32,3.16,)| | ||
| Structure | 
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