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BDBM21718 3-[(E)-2-(2-chloro-4-{[3-(2,6-dichlorophenyl)-5-phenyl-1,2-oxazol-4-yl]methoxy}phenyl)ethenyl]benzoic acid::Isoxazole derivative, 10e

SMILES: OC(=O)c1cccc(\C=C\c2ccc(OCc3c(noc3-c3ccccc3)-c3c(Cl)cccc3Cl)cc2Cl)c1

InChI Key: InChIKey=CNZACFCLDVRZJS-OUKQBFOZSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 21718   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Bile acid receptor


(Homo sapiens (Human))		BDBM21718
PNG
(3-[(E)-2-(2-chloro-4-{[3-(2,6-dichlorophenyl)-5-ph...)
Show SMILES OC(=O)c1cccc(\C=C\c2ccc(OCc3c(noc3-c3ccccc3)-c3c(Cl)cccc3Cl)cc2Cl)c1 |(12.61,-2.96,;11.28,-2.19,;11.28,-.65,;9.95,-2.96,;9.95,-4.5,;8.61,-5.27,;7.28,-4.5,;7.28,-2.96,;5.95,-2.19,;4.61,-2.96,;3.28,-2.19,;3.28,-.65,;1.95,.12,;.61,-.65,;-.29,.6,;-1.82,.44,;-2.73,1.68,;-4.27,1.68,;-4.75,3.15,;-3.5,4.05,;-2.25,3.15,;-.79,3.62,;-.79,5.16,;.54,5.93,;1.88,5.16,;1.88,3.62,;.54,2.85,;-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,;.61,-2.19,;1.95,-2.96,;1.95,-4.5,;8.61,-2.19,)|
Show InChI InChI=1S/C31H20Cl3NO4/c32-25-10-5-11-26(33)28(25)29-24(30(39-35-29)21-7-2-1-3-8-21)18-38-23-15-14-20(27(34)17-23)13-12-19-6-4-9-22(16-19)31(36)37/h1-17H,18H2,(H,36,37)/b13-12+
PDB
MMDB

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Similars
Article
PubMed
n/an/an/an/a 1.58E+4n/an/a7.237



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