BDBM903 C-terminal inhibitor 1::methyl (2S)-2-[(2S)-2-[(4S,5S)-5-[(2S)-2-[(2S)-2-aminopropanamido]propanamido]-4-hydroxy-6-phenylhexanamido]-3-methylbutanamido]-3-methylbutanoate

SMILES CC(C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)OC)NC(=O)CC[C@@H]([C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](C)N)O

InChI Key InChIKey=IUDCAKKZLXFOQA-UHFFFAOYSA-N

Data  3 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 903   

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

Curated by ChEMBL
LigandPNGBDBM903(methyl (2S)-2-[(2S)-2-[(4S,5S)-5-[(2S)-2-[(2S)-2-a...)
Affinity DataKi:  4nMAssay 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
TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Agouron Pharmaceuticals

LigandPNGBDBM903(methyl (2S)-2-[(2S)-2-[(4S,5S)-5-[(2S)-2-[(2S)-2-a...)
Affinity DataKi:  18nM ΔG°:  -11.0kcal/molepH: 5.5 T: 2°CAssay Description:Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu- (p-NO2-Phe)-Glu-Ala-Nleu-Ser (Bache...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/8/2004
Entry Details Article
PubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
University of ZüRich

Curated by ChEMBL
LigandPNGBDBM903(methyl (2S)-2-[(2S)-2-[(4S,5S)-5-[(2S)-2-[(2S)-2-a...)
Affinity DataKi:  18nMAssay Description:Binding affinity to HIV-1 proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/24/2014
Entry Details Article
PubMed