BDBM50283147 (6S,7S,8aS)-2-[(R)-2-Hydroxy-2-((1S,12S)-12-isopropyl-10,13-dioxo-2-oxa-11,14-diaza-bicyclo[15.2.2]henicosa-1(20),17(21),18-trien-15-yl)-ethyl]-decahydro-isoquinoline-3-carboxylic acid tert-butylamide::CHEMBL431387

SMILES CC(C)[C@@H]1NC(=O)CCCCCCCOc2ccc(C[C@H](NC1=O)[C@H](O)CN1CC3CCCCC3C[C@H]1C(=O)NC(C)(C)C)cc2

InChI Key InChIKey=WEDYIPBWZKOBFA-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 = 50283147   

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

Curated by ChEMBL
LigandPNGBDBM50283147((6S,7S,8aS)-2-[(R)-2-Hydroxy-2-((1S,12S)-12-isopro...)
Affinity DataIC50: 3.40nMAssay Description:In vitro inhibition HIV-1 IIIB protease.More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2010
Entry Details Article