BDBM50282092 CHEMBL412878::Isoquinoline-3-carboxylic acid {(1S,2S)-2-[(R)-2-benzyl-5-((3S,4aS,8aS)-3-tert-butylcarbamoyl-octahydro-isoquinolin-2-yl)-4-hydroxy-pentanoylamino]-cyclohexyl}-amide

SMILES CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1CC(O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCC[C@@H]1NC(=O)c1cc2ccccc2cn1

InChI Key InChIKey=QXIZXTUHGDAAEB-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50282092   

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

Curated by ChEMBL
LigandPNGBDBM50282092(Isoquinoline-3-carboxylic acid {(1S,2S)-2-[(R)-2-b...)
Affinity DataIC50: 70nMAssay Description:Concentration required for inhibitory activity against HIV-1 ProteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2010
Entry Details Article