BDBM50156912 CHEMBL376602::methyl (2S)-2-[(2S,3R)-2-[(2S,3R)-3-hydroxy-2-(4-{[2-(3-{[(1S,2R)-2-hydroxy-1-{[(1S,2R)-1-{[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]carbamoyl}-2-methylbutyl]carbamoyl}propyl]carbamoyl}propoxy)quinolin-7-yl]oxy}butanamido)butanamido]-3-methylpentanamido]-3-methylbutanoate

SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@H](C)CC)C(=O)N[C@@H](C(C)C)C(=O)OC)nc2c1)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)OC

InChI Key InChIKey=OBZJWZXFZIOJJM-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 = 50156912   

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

Curated by ChEMBL
LigandPNGBDBM50156912(methyl (2S)-2-[(2S,3R)-2-[(2S,3R)-3-hydroxy-2-(4-{...)
Affinity DataKi:  1.90E+3nMAssay 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