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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Bile acid receptor | ||
| Ligand | BDBM50609030 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_2276110 | ||
| EC50 | 10.0±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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| BDBM50609030 | |||
| n/a | |||
| Name | BDBM50609030 | ||
| Synonyms: | CHEMBL5281263 | ||
| 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)N1Cc2ccc(cc2C1)C(O)=O |r,wD:7.9,4.4,1.0,(-1.47,4.85,;-1.47,3.31,;-2.14,2.18,;-1.47,1,;-.14,1,;-.14,-.54,;-1.47,.23,;-2.81,1,;-2.81,2.54,;-4.14,.23,;-5.48,1,;-6.81,.23,;-8.2,.85,;-9.22,-.28,;-8.45,-1.62,;-6.96,-1.31,;-5.84,-2.34,;-6.14,-3.82,;-7.58,-4.28,;-5.01,-4.85,;-3.53,-4.39,;-3.22,-2.9,;-4.35,-1.87,;-3.95,-.39,;-8.5,2.39,;-8.04,3.82,;-9.58,3.51,;-.14,2.54,;1.19,3.31,;1.19,4.85,;2.53,2.54,;2.69,1.01,;4.19,.69,;4.97,-.65,;6.51,-.65,;7.27,.69,;6.5,2.02,;4.96,2.02,;3.93,3.16,;8.81,.69,;9.58,-.65,;9.58,2.02,)| | ||
| Structure | 
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