Compile Data Set for Download or QSAR
Found 1 Enz. Inhib. hit(s) with Target = 'Protease' and Ligand = 'BDBM50498809'
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50498809(CHEMBL3627852)
Show SMILES CCCN(C)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C33H43N3O6S/c1-6-19-35(4)33(39)27-14-10-13-26(21-27)32(38)34-30(20-25-11-8-7-9-12-25)31(37)23-36(22-24(2)3)43(40,41)29-17-15-28(42-5)16-18-29/h7-18,21,24,30-31,37H,6,19-20,22-23H2,1-5H3,(H,34,38)/t30-,31+/m0/s1
Affinity DataKi:  5.10nMAssay Description:Inhibition of HIV-1 protease by fluorometric assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid