Reaction Details | |||
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Target | Bile acid receptor | ||
Ligand | BDBM21715 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_819781 (CHEMBL2034293) | ||
EC50 | 2500±n/a nM | ||
Citation | Misawa, T; Hayashi, H; Makishima, M; Sugiyama, Y; Hashimoto, Y E297G mutated bile salt export pump (BSEP) function enhancers derived from GW4064: structural development study and separation from farnesoid X receptor-agonistic activity. Bioorg Med Chem Lett22:3962-6 (2012) [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: |
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BDBM21715 | |||
n/a | |||
Name | BDBM21715 | ||
Synonyms: | 3-[benzyl(2-chloro-4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}benzene)amido]benzoic acid | Isoxazole derivative, 15d | ||
Type | Small organic molecule | ||
Emp. Form. | C34H27Cl3N2O5 | ||
Mol. Mass. | 649.948 | ||
SMILES | CC(C)c1onc(c1COc1ccc(C(=O)N(Cc2ccccc2)c2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl |(-.47,5.13,;-.79,3.62,;.35,2.59,;-2.25,3.15,;-3.5,4.05,;-4.75,3.15,;-4.27,1.68,;-2.73,1.68,;-1.82,.44,;-.29,.6,;.61,-.65,;1.95,.12,;3.28,-.65,;3.28,-2.19,;4.61,-2.96,;4.61,-4.5,;5.95,-2.19,;5.95,-.65,;7.28,.12,;7.28,1.66,;8.61,2.43,;9.95,1.66,;9.95,.12,;8.61,-.65,;7.28,-2.96,;7.28,-4.5,;8.61,-5.27,;9.95,-4.5,;9.95,-2.96,;8.61,-2.19,;11.28,-2.19,;12.61,-2.96,;11.28,-.65,;1.95,-2.96,;1.95,-4.5,;.61,-2.19,;-5.18,.44,;-6.65,.88,;-7,2.38,;-7.77,-.17,;-7.42,-1.67,;-5.95,-2.12,;-4.82,-1.06,;-3.35,-1.51,)| | ||
Structure |