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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Liver carboxylesterase' and Ligand = 'BDBM50358319'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Liver carboxylesterase


(Sus scrofa)		BDBM50358319
PNG
(CHEMBL1922548)
Show SMILES COC(=O)C(OP(C)(=O)OCc1cn(C[C@@H](NC(=O)CN(Cc2ccccc2)C(=O)C(F)(F)F)C(C)C)nn1)C(F)(F)F |r|
Show InChI InChI=1S/C24H30F6N5O7P/c1-15(2)18(31-19(36)13-34(22(38)24(28,29)30)10-16-8-6-5-7-9-16)12-35-11-17(32-33-35)14-41-43(4,39)42-20(21(37)40-3)23(25,26)27/h5-9,11,15,18,20H,10,12-14H2,1-4H3,(H,31,36)/t18-,20?,43?/m1/s1
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Similars
Article
PubMed
n/an/a 1.58E+5n/an/an/an/an/an/a



Moscow State University

Curated by ChEMBL


Assay Description
Inhibition of pig liver carboxylesterase using p-nitrophenyl acetate as substrate by spectrophotometric analysis

Bioorg Med Chem Lett 21: 7216-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.030
BindingDB Entry DOI: 10.7270/Q2W66M65
More data for this
Ligand-Target Pair