BDBM50014030 2-(2-Acetylamino-3-hydroxy-propionylamino)-pentanedioic acid 5-amide 1-{[1-(1-benzyl-2-{2-[1-(1-carbamoyl-2-methyl-propylcarbamoyl)-2-methyl-propylcarbamoyl]-pyrrolidin-1-yl}-2-oxo-ethylcarbamoyl)-2-carbamoyl-ethyl]-amide}::CHEMBL2371769

SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(C)=O)C(C)C)C(N)=O

InChI Key InChIKey=JTMPCQOLBYGTCI-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 = 50014030   

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

Curated by ChEMBL
LigandPNGBDBM50014030(2-(2-Acetylamino-3-hydroxy-propionylamino)-pentane...)
Affinity DataKi:  1.30E+4nMpH: 6.4Assay Description:Inhibitory activity against HIV Protease was measured at pH 6.4 and 37 degrees CMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed