BDBM50288942 CHEMBL154692::{(R)-1-[(1S,2R)-1-Benzyl-3-((3S,4aS,8aS)-3-tert-butylcarbamoyl-octahydro-isoquinolin-2-yl)-2-hydroxy-propylcarbamoyl]-2-methanesulfonyl-2-methyl-propyl}-carbamic acid benzyl ester

SMILES CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)S(C)(=O)=O

InChI Key InChIKey=ZGVUOBCKGRJVSM-UHFFFAOYSA-N

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50288942   

TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
TBA

Curated by ChEMBL
LigandPNGBDBM50288942({(R)-1-[(1S,2R)-1-Benzyl-3-((3S,4aS,8aS)-3-tert-bu...)
Affinity DataKi:  0.162nMAssay Description:Inhibitory activity against P2 site in HIV protease.More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/21/2010
Entry Details Article