Compile Data Set for Download or QSAR
Found 1 Enz. Inhib. hit(s) with Target = 'Protease' and Ligand = 'BDBM50498806'
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50498806(CHEMBL3627879)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)C(=O)N(C)Cc1nc(C)oc1C
Show InChI InChI=1S/C36H44N4O7S/c1-24(2)21-40(48(44,45)31-17-15-30(46-6)16-18-31)23-34(41)32(19-27-11-8-7-9-12-27)38-35(42)28-13-10-14-29(20-28)36(43)39(5)22-33-25(3)47-26(4)37-33/h7-18,20,24,32,34,41H,19,21-23H2,1-6H3,(H,38,42)/t32-,34+/m0/s1
Affinity DataKi:  0.170nMAssay Description:Inhibition of HIV-1 protease by fluorometric assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid