BDBM50283148 (6S,7S,8aS)-2-{(R)-2-Hydroxy-4-((S)-4-hydroxy-phenyl)-3-[(S)-3-methyl-2-((Z)-oct-2-enoylamino)-butyrylamino]-butyl}-decahydro-isoquinoline-3-carboxylic acid tert-butylamide::CHEMBL431569

SMILES CC(C)[C@@H]1NC(=O)\C=C/CCCCOc2ccc(C[C@H](NC1=O)[C@H](O)CN1CC3CCCCC3C[C@H]1C(=O)NC(C)(C)C)cc2

InChI Key InChIKey=QTAYUWFZSBEHPK-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50283148   

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

Curated by ChEMBL
LigandPNGBDBM50283148((6S,7S,8aS)-2-{(R)-2-Hydroxy-4-((S)-4-hydroxy-phen...)
Affinity DataIC50: 9nMAssay Description:In vitro inhibitory activity of compound against HIV protease from BRU (IIIB) strain of HIV- 1 virus was determinedMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2010
Entry Details Article