Compile Data Set for Download or QSAR
Found 1 Enz. Inhib. hit(s) with Target = 'Protease' and Ligand = 'BDBM171382'
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Purdue Research Foundation

US Patent
LigandPNGBDBM171382(US9085571, Table 1, Compound 30)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)C(=O)N1CCC[C@@H]1c1nc(C)cs1
Show InChI InChI=1S/C37H44N4O6S2/c1-25(2)22-40(49(45,46)31-17-15-30(47-4)16-18-31)23-34(42)32(20-27-10-6-5-7-11-27)39-35(43)28-12-8-13-29(21-28)37(44)41-19-9-14-33(41)36-38-26(3)24-48-36/h5-8,10-13,15-18,21,24-25,32-34,42H,9,14,19-20,22-23H2,1-4H3,(H,39,43)/t32-,33+,34+/m0/s1
Affinity DataKi:  4.01nM IC50: 32nMAssay Description:Without being bound by theory, it is suggested that the compounds described herein may exert their utility by the inhibition of proteases encoded by ...More data for this Ligand-Target Pair