BDBM21715 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
SMILES: CC(C)c1onc(c1COc1ccc(C(=O)N(Cc2ccccc2)c2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl
InChI Key: InChIKey=IJXLNFOPUCHASQ-UHFFFAOYSA-N
Data: 2 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)) | BDBM21715 (3-[benzyl(2-chloro-4-{[3-(2,6-dichlorophenyl)-5-(p...) | 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 | 2.50E+3 | n/a | n/a | n/a | n/a |
The University of Tokyo Curated by ChEMBL | Assay Description Agonist activity at human recombinant FXR expressed in HEK293 cells coexpressing CMX-GAL4N by luciferase reporter gene assay | Bioorg Med Chem Lett 22: 3962-6 (2012) Article DOI: 10.1016/j.bmcl.2012.04.099 BindingDB Entry DOI: 10.7270/Q25X29X2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile acid receptor (Homo sapiens (Human)) | BDBM21715 (3-[benzyl(2-chloro-4-{[3-(2,6-dichlorophenyl)-5-(p...) | 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 | 2.50E+3 | 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 |