BDBM9613 (R)-N-(1S,2R)-[3-[2-[[(1,1-Dimethylethyl)-amino]carbonyl]phenyl]-2-hydroxy-1-(phenylmethyl)-propyl]-2-[(methylsulfonyl)amino]-4-oxo-4-(benzyloxy)-butanamide::Carboxamide analog 8::benzyl (3R)-3-{[(2S,3R)-4-[2-(tert-butylcarbamoyl)phenyl]-3-hydroxy-1-phenylbutan-2-yl]carbamoyl}-3-methanesulfonamidopropanoate

SMILES CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)OCc1ccccc1)NS(C)(=O)=O

InChI Key InChIKey=QIYCAHAECWJXLG-UHFFFAOYSA-N

Data  2 IC50

  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 2 hits for monomerid = 9613   

TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Eli Lilly

LigandPNGBDBM9613(benzyl (3R)-3-{[(2S,3R)-4-[2-(tert-butylcarbamoyl)...)
Affinity DataIC50: 5.40nMpH: 5.5 T: 2°CAssay Description:The assay involves the use of a HIV-1 protease peptide substrate which has been modified to contain a biotin moiety on one side and a fluorescent rep...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/5/2006
Entry Details Article
PubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
TBA

Curated by ChEMBL
LigandPNGBDBM9613(benzyl (3R)-3-{[(2S,3R)-4-[2-(tert-butylcarbamoyl)...)
Affinity DataIC50: 1.00E+3nMAssay Description:Concentration required for in vitro inhibitory activity against HIV-1 proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2010
Entry Details Article