BDBM50289446 CHEMBL280989::N-(5-{(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-2-oxo-3-[5-(2-pyridin-3-yl-acetylamino)-pentyl]-[1,3]diazepan-1-yl}-pentyl)-2-pyridin-3-yl-acetamide

SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCNC(=O)Cc2cccnc2)C(=O)N(CCCCCNC(=O)Cc2cccnc2)[C@@H]1Cc1ccccc1

InChI Key InChIKey=CHKJHBSKSVTXCY-UHFFFAOYSA-N

Data  1 KI

  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 = 50289446   

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

Curated by ChEMBL
LigandPNGBDBM50289446(N-(5-{(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-2-o...)
Affinity DataKi:  8.90nMAssay Description:Inhibitory activity against HIV-1 proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/21/2010
Entry Details Article