BDBM50009249 1N-[1-[1-[1-benzyl-2-[2-[1-[1-carbamoyl-2-methyl-(1S)-propylcarbamoyl]-2-methyl-(1S)-propylcarbamoyl]-(2S)-tetrahydro-1H-1-pyrrolyl]-(1S)-ethylcarbamoyl]-(1S)-ethylcarbamoyl]-(1S)-ethyl]-2-amino-3-hydroxy-(2S)-propanamide::CHEMBL77621

SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(C)C)C(N)=O

InChI Key InChIKey=PYMRHYWECWSZQC-UHFFFAOYSA-N

Data  2 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 3 hits for monomerid = 50009249   

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

Curated by ChEMBL
LigandPNGBDBM50009249(1N-[1-[1-[1-benzyl-2-[2-[1-[1-carbamoyl-2-methyl-(...)
Affinity DataIC50: 19nMAssay 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
LigandPNGBDBM50009249(1N-[1-[1-[1-benzyl-2-[2-[1-[1-carbamoyl-2-methyl-(...)
Affinity DataKi:  1.82E+4nMAssay 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
LigandPNGBDBM50009249(1N-[1-[1-[1-benzyl-2-[2-[1-[1-carbamoyl-2-methyl-(...)
Affinity DataKi:  1.88E+4nMAssay Description:Inhibition constant was determined against HIV-1 proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed