BDBM127 (4R,5S,6S,7R)-1,3-bis(5-aminopentyl)-4,7-dibenzyl-5,6-dihydroxy-1,3-diazepan-2-one::DMPC Cyclic Urea 107

SMILES NCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCN)C1=O

InChI Key InChIKey=BIEJTDFFXMXWIH-UHFFFAOYSA-N

Data  2 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 127   

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

Curated by ChEMBL
LigandPNGBDBM127((4R,5S,6S,7R)-1,3-bis(5-aminopentyl)-4,7-dibenzyl-...)
Affinity DataKi:  1.25E+3nMAssay Description:Inhibitory activity against HIV-1 proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/21/2010
Entry Details Article

TargetDimer of Gag-Pol polyprotein [501-599](Human immunodeficiency virus type 1)
Dupont Pharmaceuticals

LigandPNGBDBM127((4R,5S,6S,7R)-1,3-bis(5-aminopentyl)-4,7-dibenzyl-...)
Affinity DataKi:  1.25E+3nM ΔG°:  -8.37kcal/molepH: 5.5 T: 2°CAssay Description:Ki values were determined with recombinant single-chain dimeric HIV protease and a fluorescent substrate. The use of single-chain dimeric protease a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/18/2001
Entry Details Article
PubMed