Compile Data Set for Download or QSAR
Found 1 Enz. Inhib. hit(s) with Target = 'Genome polyprotein [1027-1206,R1052K]' and Ligand = 'BDBM92407'
TargetGenome polyprotein [1027-1206,R1052K](Hepatitis C virus)
Boehringer Ingelheim (Canada) Ltd

LigandPNGBDBM92407(BI201335)
Show SMILES COc1ccc2c(O[C@@H]3CC(N(C3)C(=O)[C@@H](NC(=O)OC3CCCC3)C(C)(C)C)C(=O)N[C@@]3(CC3C=C)C(O)=O)cc(nc2c1Br)-c1csc(NC(=O)C(C)C)n1
Show InChI InChI=1S/C40H49BrN6O9S/c1-8-21-17-40(21,36(51)52)46-34(49)27-15-23(18-47(27)35(50)32(39(4,5)6)44-38(53)56-22-11-9-10-12-22)55-29-16-25(26-19-57-37(43-26)45-33(48)20(2)3)42-31-24(29)13-14-28(54-7)30(31)41/h8,13-14,16,19-23,27,32H,1,9-12,15,17-18H2,2-7H3,(H,44,53)(H,46,49)(H,51,52)(H,43,45,48)/t21?,23-,27?,32-,40-/m1/s1
Affinity DataKi:  0.530nM Kon:  0.000440M-1s-1 Koff:  8.50E+5s-1pH: 8.0Assay Description:Kinetic analysis of NS3 inhibitor binding experiment were performed using the KinTek stopped flow instrument (SF-2005; excitation, 325 nm; and emissi...More data for this Ligand-Target Pair