Compile Data Set for Download or QSAR
Found 1 Enz. Inhib. hit(s) with Target = 'Protease' and Ligand = 'BDBM50498812'
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50498812(CHEMBL3627855)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)C(=O)N1CCOCC1
Show InChI InChI=1S/C33H41N3O7S/c1-24(2)22-36(44(40,41)29-14-12-28(42-3)13-15-29)23-31(37)30(20-25-8-5-4-6-9-25)34-32(38)26-10-7-11-27(21-26)33(39)35-16-18-43-19-17-35/h4-15,21,24,30-31,37H,16-20,22-23H2,1-3H3,(H,34,38)/t30-,31+/m0/s1
Affinity DataKi:  0.420nMAssay Description:Inhibition of HIV-1 protease by fluorometric assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid