Compile Data Set for Download or QSAR
Found 1 Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein [489-587]' and Ligand = 'BDBM50089102'
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Kyoto Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50089102(CHEMBL283116 | KNI-935)
Show SMILES Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](OC(=O)CCC(=O)OCC1OC(CC1N=[N+]=[N-])n1cc(C)c(=O)[nH]c1=O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NC(C)(C)C
Show InChI InChI=1S/C44H56N8O11S/c1-25-13-12-14-26(2)36(25)61-23-32(53)46-30(19-28-15-10-9-11-16-28)37(41(58)52-24-64-44(7,8)38(52)40(57)48-43(4,5)6)63-35(55)18-17-34(54)60-22-31-29(49-50-45)20-33(62-31)51-21-27(3)39(56)47-42(51)59/h9-16,21,29-31,33,37-38H,17-20,22-24H2,1-8H3,(H,46,53)(H,48,57)(H,47,56,59)/t29?,30-,31?,33?,37-,38+/m0/s1
Affinity DataEC50:  189nMAssay Description:Inhibitory activity of the compound against HIV-1 IIIB/CEM-SS proteaseMore data for this Ligand-Target Pair