BDBM50156909 CHEMBL376817::methyl (2S)-3-carbamoyl-2-[(2S)-2-[(2S,3R)-3-hydroxy-2-(4-{[7-(3-{[(1S)-1-{[(1S)-1-{[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]carbamoyl}-3-methylbutyl]carbamoyl}-2-methylpropyl]carbamoyl}propoxy)quinolin-2-yl]oxy}butanamido)butanamido]-4-methylpentanamido]propanoate

SMILES COC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC)cc2n1)[C@@H](C)O

InChI Key InChIKey=XEQFAHCGHLORKJ-UHFFFAOYSA-N

Data  1 KI  1 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 = 50156909   

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

Curated by ChEMBL
LigandPNGBDBM50156909(methyl (2S)-3-carbamoyl-2-[(2S)-2-[(2S,3R)-3-hydro...)
Affinity DataIC50: 5.10E+3nMAssay Description:Inhibition of HIV1 proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Paris-Sud University

Curated by ChEMBL
LigandPNGBDBM50156909(methyl (2S)-3-carbamoyl-2-[(2S)-2-[(2S,3R)-3-hydro...)
Affinity DataKi:  80nMAssay Description:Inhibition of dimerization of HIV1 proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed