BDBM50284350 (3S,4aS,8aS)-2-{(2R,3S)-3-[(1,1-Dioxo-1,2,5,6-tetrahydro-1lambda*6*-thiopyran-3-carbonyl)-amino]-2-hydroxy-4-phenyl-butyl}-decahydro-isoquinoline-3-carboxylic acid tert-butylamide::CHEMBL354884

SMILES CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)C1=CCCS(=O)(=O)C1

InChI Key InChIKey=DNMLCVFVEQOMQW-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50284350   

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

Curated by ChEMBL
LigandPNGBDBM50284350((3S,4aS,8aS)-2-{(2R,3S)-3-[(1,1-Dioxo-1,2,5,6-tetr...)
Affinity DataIC50: 54.7nMAssay Description:Inhibition of HIV-1 ProteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2010
Entry Details Article