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BDBM21710 3-[(E)-2-(2-chloro-4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)ethenyl]-N-propylbenzamide::Isoxazole derivative, 11a

SMILES: CCCNC(=O)c1cccc(\C=C\c2ccc(OCc3c(noc3C(C)C)-c3c(Cl)cccc3Cl)cc2Cl)c1

InChI Key: InChIKey=OOWVKBAYJHDSEH-VAWYXSNFSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 21710   
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))		BDBM21710
PNG
(3-[(E)-2-(2-chloro-4-{[3-(2,6-dichlorophenyl)-5-(p...)
Show SMILES CCCNC(=O)c1cccc(\C=C\c2ccc(OCc3c(noc3C(C)C)-c3c(Cl)cccc3Cl)cc2Cl)c1 |(16.62,-2.19,;15.28,-2.96,;13.95,-2.19,;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,;-.47,5.13,;.35,2.59,;-5.18,.44,;-6.7,.62,;-7.31,2.03,;-7.63,-.62,;-7.02,-2.03,;-5.49,-2.21,;-4.57,-.98,;-3.04,-1.16,;.61,-2.19,;1.95,-2.96,;1.95,-4.5,;8.61,-2.19,)|
Show InChI InChI=1S/C31H29Cl3N2O3/c1-4-15-35-31(37)22-8-5-7-20(16-22)11-12-21-13-14-23(17-27(21)34)38-18-24-29(36-39-30(24)19(2)3)28-25(32)9-6-10-26(28)33/h5-14,16-17,19H,4,15,18H2,1-3H3,(H,35,37)/b12-11+
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Similars
Article
PubMed
n/an/an/an/a 9.00E+3n/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