BDBM50009242 CHEMBL48565::{(S)-1-[(1S,2S,3R,4S)-1-Benzyl-4-((S)-2-benzyloxycarbonylamino-3-methyl-butyrylamino)-2,3-dihydroxy-5-phenyl-pentylcarbamoyl]-2-methyl-propyl}-carbamic acid benzyl ester::{1-[1-Benzyl-4-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-2,3-dihydroxy-5-phenyl-pentylcarbamoyl]-2-methyl-propyl}-carbamic acid benzyl ester

SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C

InChI Key InChIKey=TZRRVSCDIPHXHN-UHFFFAOYSA-N

Data  2 KI  2 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 4 hits for monomerid = 50009242   

TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50009242(CHEMBL48565 | {1-[1-Benzyl-4-(2-benzyloxycarbonyla...)
Affinity DataIC50: 0.400nMAssay Description:The compound was tested for its affinity against HIV-1 proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/21/2012
Entry Details Article
PubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50009242(CHEMBL48565 | {1-[1-Benzyl-4-(2-benzyloxycarbonyla...)
Affinity DataIC50: 0.200nMAssay Description:The compound was tested for its affinity against HIV-1 proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/21/2012
Entry Details Article
PubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50009242(CHEMBL48565 | {1-[1-Benzyl-4-(2-benzyloxycarbonyla...)
Affinity DataKi:  0.220nMAssay 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
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50009242(CHEMBL48565 | {1-[1-Benzyl-4-(2-benzyloxycarbonyla...)
Affinity DataKi: <1nMAssay Description:Compound was tested for the inhibition activity against HIV-1 proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2010
Entry Details Article