Compile Data Set for Download or QSAR
Found 2 Enz. Inhib. hit(s) with Target = 'Acyl-protein thioesterase 2 [L78I,A85S,P86Q]'
TargetAcyl-protein thioesterase 2 [L78I,A85S,P86Q](Homo sapiens (Human))
University of Michigan

LigandPNGBDBM207991(ML348)
Show SMILES FC(F)(F)c1ccc(Cl)c(NC(=O)CN2CCN(CC2)C(=O)c2ccco2)c1
Show InChI InChI=1S/C18H17ClF3N3O3/c19-13-4-3-12(18(20,21)22)10-14(13)23-16(26)11-24-5-7-25(8-6-24)17(27)15-2-1-9-28-15/h1-4,9-10H,5-8,11H2,(H,23,26)
Affinity DataKi:  3.40E+3nMpH: 6.5Assay Description:Enzymes were diluted to 10 nM in PBS pH 6.5 (adjusted with sodium acetate) supplemented with 0.1 g/L pluronic F127 (Sigma). Varying concentrations of...More data for this Ligand-Target Pair
TargetAcyl-protein thioesterase 2 [L78I,A85S,P86Q](Homo sapiens (Human))
University of Michigan

LigandPNGBDBM207992(ML349)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2CS(=O)(=O)c3ccccc3-c2s1
Show InChI InChI=1S/C23H22N2O4S2/c1-29-18-8-6-17(7-9-18)24-10-12-25(13-11-24)23(26)20-14-16-15-31(27,28)21-5-3-2-4-19(21)22(16)30-20/h2-9,14H,10-13,15H2,1H3
Affinity DataKi: >1.00E+4nMpH: 6.5Assay Description:Enzymes were diluted to 10 nM in PBS pH 6.5 (adjusted with sodium acetate) supplemented with 0.1 g/L pluronic F127 (Sigma). Varying concentrations of...More data for this Ligand-Target Pair