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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Liver carboxylesterase' and Ligand = 'BDBM50358320'   
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)		BDBM50358320
PNG
(CHEMBL1922549)
Show SMILES COC(=O)C(OP(C)(=O)OCc1cn(C[C@@H](NC(=O)CN(Cc2ccccc2)C(=O)[C@H](C)NC(=O)OC(C)(C)C)C(C)C)nn1)C(F)(F)F |r|
Show InChI InChI=1S/C30H44F3N6O9P/c1-19(2)23(16-39-15-22(36-37-39)18-46-49(8,44)48-25(27(42)45-7)30(31,32)33)35-24(40)17-38(14-21-12-10-9-11-13-21)26(41)20(3)34-28(43)47-29(4,5)6/h9-13,15,19-20,23,25H,14,16-18H2,1-8H3,(H,34,43)(H,35,40)/t20-,23+,25?,49?/m0/s1
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PC cid
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Similars
Article
PubMed
n/an/a 7.93E+4n/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