BDBM50155992 2-(2-{(2R,4S)-5-[2-(2-Benzyloxycarbonylamino-propionylamino)-propionylamino]-4-hydroxy-2-methyl-6-phenyl-hexanoylamino}-3-methyl-butyrylamino)-3-methyl-butyric acid methyl ester::CHEMBL3143748

SMILES COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(C)C)C(C)C

InChI Key InChIKey=IKULWCUDELLUHH-UHFFFAOYSA-N

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50155992   

TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
University of ZüRich

Curated by ChEMBL
LigandPNGBDBM50155992(2-(2-{(2R,4S)-5-[2-(2-Benzyloxycarbonylamino-propi...)
Affinity DataKi:  0.600nMAssay Description:Binding affinity towards human immunodeficiency virus type 1 protease determined using continuum electrostatics solvationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed