BDBM21711 Isoxazole derivative, 11b::N,N-dibenzyl-3-[(E)-2-(2-chloro-4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)ethenyl]benzamide
SMILES: CC(C)c1onc(c1COc1ccc(\C=C\c2cccc(c2)C(=O)N(Cc2ccccc2)Cc2ccccc2)c(Cl)c1)-c1c(Cl)cccc1Cl
InChI Key: InChIKey=WKVXRXCNQNNVCW-FMQUCBEESA-N
Data: 1 EC50
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Bile acid receptor (Homo sapiens (Human)) | BDBM21711 (Isoxazole derivative, 11b | N,N-dibenzyl-3-[(E)-2-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 3.51E+4 | n/a | n/a | 7.2 | 37 |
University of Tokyo | Assay Description Compounds were screened for agonist/antagonist activity on FXR-GAL4 chimeric receptors in transiently transfected HEK-293 cells. The EC50/IC50 values... | Bioorg Med Chem 15: 2587-600 (2007) Article DOI: 10.1016/j.bmc.2007.01.046 BindingDB Entry DOI: 10.7270/Q21R6NSZ | |||||||||||
More data for this Ligand-Target Pair |