Compile Data Set for Download or QSAR
Found 1 Enz. Inhib. hit(s) with all data for assayid = 5 entry = 50005251
TargetHIV-1 protease(Human immunodeficiency virus)
Georgia State University

Curated by ChEMBL
LigandPNGBDBM50489369(CHEMBL1232930 | GRL-0519)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2O[C@@H]3OCC[C@@H]3[C@@H]12
Show InChI InChI=1S/C30H40N2O9S/c1-19(2)16-32(42(35,36)22-11-9-21(37-3)10-12-22)17-25(33)24(15-20-7-5-4-6-8-20)31-30(34)40-26-18-39-29-27(26)23-13-14-38-28(23)41-29/h4-12,19,23-29,33H,13-18H2,1-3H3,(H,31,34)/t23-,24+,25-,26+,27+,28+,29+/m1/s1
Affinity DataKi:  3.20nMAssay Description:Inhibition of HIV-1 protease V82A mutant using Abz-Thr-Ile-Nle-p-nitro-Phe-Gln-Arg-NH2 as substrate incubated for 5 mins prior to substrate addition ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB