BDBM32 (4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis(cyclopropylmethyl)-5,6-dihydroxy-1,3-diazepan-2-one::CHEMBL431306::DMPC Cyclic Urea 12

SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CC2CC2)C(=O)N(CC2CC2)[C@@H]1Cc1ccccc1

InChI Key InChIKey=YMTOUOZOBVYCFQ-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 32   

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

Curated by ChEMBL
LigandPNGBDBM32((4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis(cyclopropylmeth...)
Affinity DataKi:  1.90nMAssay Description:Binding affinity to inhibit the purified wild-type HIV-1 ProteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetDimer of Gag-Pol polyprotein [501-599](Human immunodeficiency virus type 1)
Dupont Pharmaceuticals

LigandPNGBDBM32((4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis(cyclopropylmeth...)
Affinity DataKi:  1.90nM ΔG°:  -12.4kcal/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)
Dupont Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM32((4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis(cyclopropylmeth...)
Affinity DataKi:  2.10nMAssay Description:Inhibition of HIV-1 proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed