BDBM159 3-{[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-3-{[3-(pyridin-2-ylcarbamoyl)phenyl]methyl}-1,3-diazepan-1-yl]methyl}-N-(pyridin-2-yl)benzamide::CHEMBL81383::Cyclic Urea

SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(c2)C(=O)Nc2ccccn2)C(=O)N(Cc2cccc(c2)C(=O)Nc2ccccn2)[C@@H]1Cc1ccccc1

InChI Key InChIKey=CTTYWAAVPCSYCV-VNXDFUDDSA-N

Data  6 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 159   

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

Curated by ChEMBL
LigandPNGBDBM159(3-{[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo...)
Affinity DataKi:  0.0100nMAssay Description:Binding affinity for HIV-1 proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

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

Curated by ChEMBL
LigandPNGBDBM159(3-{[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo...)
Affinity DataKi:  0.0430nMAssay Description:Inhibition of HIV-1 proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

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

Curated by ChEMBL
LigandPNGBDBM159(3-{[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo...)
Affinity DataKi:  0.0430nMAssay Description:Affinity of the compound against HIV proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

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

Curated by ChEMBL
LigandPNGBDBM159(3-{[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo...)
Affinity DataKi:  0.0430nMAssay Description:Inhibitory activity against HIV proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

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

LigandPNGBDBM159(3-{[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo...)
Affinity DataKi:  0.0430nM ΔG°:  -14.7kcal/molepH: 5.5 T: 37°CMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

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

Curated by ChEMBL
LigandPNGBDBM159(3-{[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo...)
Affinity DataKi:  0.0430nMAssay Description:Inhibitory activity against HIV-1 proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed