BDBM17831 (2S)-2-acetamido-N-[(2S,4S,5S)-5-{[(5S)-3-(3-acetylphenyl)-2-oxo-1,3-oxazolidin-5-yl]formamido}-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methylbutanamide::Hydroxyethylene Isostere-Based Compound, 13e

SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1cccc(c1)C(C)=O)Cc1ccccc1

InChI Key InChIKey=CZPLKLADANMGQQ-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 17831   

TargetDimer of Gag-Pol polyprotein [491-589,Q496K](Human immunodeficiency virus type 1)
University of Massachusetts Medical School

LigandPNGBDBM17831((2S)-2-acetamido-N-[(2S,4S,5S)-5-{[(5S)-3-(3-acety...)
Affinity DataKi:  0.980nM ΔG°:  -12.5kcal/molepH: 4.7 T: 2°CAssay Description:HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/10/2007
Entry Details Article
PubMed
TargetDimer of Gag-Pol polyprotein [491-589,Q498K,D521N,V555I,N579D](Human immunodeficiency virus type 1)
University of Massachusetts Medical School

LigandPNGBDBM17831((2S)-2-acetamido-N-[(2S,4S,5S)-5-{[(5S)-3-(3-acety...)
Affinity DataKi:  1.67nMAssay Description:HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/10/2007
Entry Details Article
PubMed
TargetDimer of Gag-Pol polyprotein [491-589,Q498K,L501I,G539V,I545V,V555I,V573A](Human immunodeficiency virus type 1)
University of Massachusetts Medical School

LigandPNGBDBM17831((2S)-2-acetamido-N-[(2S,4S,5S)-5-{[(5S)-3-(3-acety...)
Affinity DataKi:  82.3nMAssay Description:HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/10/2007
Entry Details Article
PubMed
TargetDimer of Gag-Pol polyprotein [491-589,Q498K,L501I,V555I,A562V,G564S,I575V,L581M](Human immunodeficiency virus type 1)
University of Massachusetts Medical School

LigandPNGBDBM17831((2S)-2-acetamido-N-[(2S,4S,5S)-5-{[(5S)-3-(3-acety...)
Affinity DataKi:  122nMAssay Description:HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/10/2007
Entry Details Article
PubMed