BDBM50156007 2-(2-{(S)-5-[2-(2-Benzyloxycarbonylamino-propionylamino)-propionylamino]-4-hydroxy-6-phenyl-hexanoylamino}-3-methyl-butyrylamino)-3-methyl-butyric acid methyl ester::CHEMBL3143747

SMILES COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC[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=QMXGQRYFXBJNBM-UHFFFAOYSA-N

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50156007   

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

Curated by ChEMBL
LigandPNGBDBM50156007(2-(2-{(S)-5-[2-(2-Benzyloxycarbonylamino-propionyl...)
Affinity DataKi:  44nMAssay 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