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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Liver carboxylesterase' and Ligand = 'BDBM50358313'   
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)		BDBM50358313
PNG
(CHEMBL1922542)
Show SMILES CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccc(OC)cc1OC)C(C)(C)C(=O)N[C@@H](C)Cn1cc(COP(C)(=O)OC(C(F)(F)F)C(F)(F)F)nn1 |r|
Show InChI InChI=1S/C34H51F6N6O9P/c1-12-20(2)26(42-30(49)54-31(4,5)6)27(47)46(17-22-13-14-24(51-9)15-25(22)52-10)32(7,8)29(48)41-21(3)16-45-18-23(43-44-45)19-53-56(11,50)55-28(33(35,36)37)34(38,39)40/h13-15,18,20-21,26,28H,12,16-17,19H2,1-11H3,(H,41,48)(H,42,49)/t20-,21-,26-,56?/m0/s1
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Similars
Article
PubMed
n/an/a 8.25E+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