BDBM50006824 CHEMBL82338::[(1S,2R)-1-Benzyl-3-((3S,4aS,8aS)-3-tert-butylcarbamoyl-octahydro-isoquinolin-2-yl)-2-hydroxy-propyl]-carbamic acid tert-butyl ester::[1-Benzyl-3-(3-tert-butylcarbamoyl-octahydro-isoquinolin-2-yl)-2-hydroxy-propyl]-carbamic acid tert-butyl ester

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

InChI Key InChIKey=LYMBPRXTWAXSBF-VMAPGKTHSA-N

Data  3 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 = 50006824   

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

Curated by ChEMBL
LigandPNGBDBM50006824(CHEMBL82338 | [(1S,2R)-1-Benzyl-3-((3S,4aS,8aS)-3-...)
Affinity DataIC50: >3.00E+3nMAssay Description:Compound was evaluated in vitro for the inhibition of HIV-Protease, using a peptide hydrolysis assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50006824(CHEMBL82338 | [(1S,2R)-1-Benzyl-3-((3S,4aS,8aS)-3-...)
Affinity DataIC50:  3.02E+3nMAssay Description:Inhibitory activity against HIV-1 protease.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50006824(CHEMBL82338 | [(1S,2R)-1-Benzyl-3-((3S,4aS,8aS)-3-...)
Affinity DataIC50:  3.02E+3nMAssay Description:Inhibition of HIV-1 protease was determined in vitroChecked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed