BDBM50146642 (S)-tetrahydrofuran-3-yl (2S,3R)-4-((3S,4aS,8aS)-3-(tert-butylcarbamoyl)octahydroisoquinolin-2(1H)-yl)-3-hydroxy-1-phenylbutan-2-ylcarbamate::CHEMBL18389::[(1S,2R)-1-Benzyl-3-((3S,4aS,8aS)-3-tert-butylcarbamoyl-octahydro-isoquinolin-2-yl)-2-hydroxy-propyl]-carbamic acid (S)-(tetrahydro-furan-3-yl) ester::[(S)-1-(R)-1-Benzyl-3-((1S,5S,6S)-3-tert-butylcarbamoyl-octahydro-isoquinolin-2-yl)-2-hydroxy-propyl]-carbamic acid (S)-(tetrahydro-furan-3-yl) ester::[1-Benzyl-3-(3-tert-butylcarbamoyl-octahydro-isoquinolin-2-yl)-2-hydroxy-propyl]-carbamic acid tetrahydro-furan-3-yl ester

SMILES CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1

InChI Key InChIKey=RWJPHGJNZTXMGR-UHFFFAOYSA-N

Data  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 2 hits for monomerid = 50146642   

TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50146642([(1S,2R)-1-Benzyl-3-((3S,4aS,8aS)-3-tert-butylcarb...)
Affinity DataIC50: 160nMAssay Description:Inhibitory activity against HIV-I protease was determinedMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50146642([(1S,2R)-1-Benzyl-3-((3S,4aS,8aS)-3-tert-butylcarb...)
Affinity DataIC50: 160nMAssay Description:Inhibition of HIV1 proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed