BDBM176 (4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis({[3-(2,2-dimethylpropanoyl)phenyl]methyl})-5,6-dihydroxy-1,3-diazepan-2-one::(4R,5S,6S,7R)-Hexahydro-5,6-dihydroxy-1,3-bis[(3-pivaloylphenyl)methyl]-4,7-bis(phenylmethyl)-2H-1,3-diazepin-2-one::CHEMBL304410::Cyclic Urea

SMILES CC(C)(C)C(=O)c1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3cccc(c3)C(=O)C(C)(C)C)C2=O)c1

InChI Key InChIKey=IXHSGRWAMNNNRD-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 = 176   

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

Curated by ChEMBL
LigandPNGBDBM176((4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis({[3-(2,2-dimeth...)
Affinity DataKi:  3.60nMAssay Description:Inhibition of HIV protease, measured by assaying the cleavage of a fluorescent peptide substrate using HPLCMore 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

LigandPNGBDBM176((4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis({[3-(2,2-dimeth...)
Affinity DataKi:  3.60nM ΔG°:  -12.0kcal/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