Compile Data Set for Download or QSAR
Found 1 Enz. Inhib. hit(s) with Target = 'Protease' and Ligand = 'BDBM50498808'
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50498808(CHEMBL3627874)
Show SMILES COC[C@H]1C[C@H](O)CN1C(=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/C35H45N3O8S/c1-24(2)20-37(47(43,44)31-15-13-30(46-4)14-16-31)22-33(40)32(17-25-9-6-5-7-10-25)36-34(41)26-11-8-12-27(18-26)35(42)38-21-29(39)19-28(38)23-45-3/h5-16,18,24,28-29,32-33,39-40H,17,19-23H2,1-4H3,(H,36,41)/t28-,29+,32+,33-/m1/s1
Affinity DataKi:  0.270nMAssay Description:Inhibition of HIV-1 protease by fluorometric assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid