BDBM69 CHEMBL282395::DMPC Cyclic Urea 49::N-{5-[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-3-[5-(pyridin-4-ylformamido)pentyl]-1,3-diazepan-1-yl]pentyl}pyridine-4-carboxamide dihydrochloride

SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCNC(=O)c2ccncc2)C(=O)N(CCCCCNC(=O)c2ccncc2)[C@@H]1Cc1ccccc1

InChI Key InChIKey=QUUQERMKKZCHEO-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 69   

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

LigandPNGBDBM69(CHEMBL282395 | N-{5-[(4R,5S,6S,7R)-4,7-dibenzyl-5,...)
Affinity DataKi:  16nM ΔG°:  -11.1kcal/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
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
TBA

Curated by ChEMBL
LigandPNGBDBM69(CHEMBL282395 | N-{5-[(4R,5S,6S,7R)-4,7-dibenzyl-5,...)
Affinity DataKi:  16nMAssay Description:Inhibitory activity against HIV-1 proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/21/2010
Entry Details Article