BDBM174 (4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis[(3-butanoylphenyl)methyl]-5,6-dihydroxy-1,3-diazepan-2-one::CHEMBL304411::Cyclic Urea

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

InChI Key InChIKey=CUSSQSVURRNYDL-JFDQHVTASA-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 = 174   

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

Curated by ChEMBL
LigandPNGBDBM174((4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis[(3-butanoylphen...)
Affinity DataKi:  1.40nMAssay Description:Inhibition of HIV protease, measured by assaying the cleavage of a fluorescent peptide substrate using HPLCMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDimer of Gag-Pol polyprotein [501-599](Human immunodeficiency virus type 1)
Dupont Pharmaceuticals

LigandPNGBDBM174((4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis[(3-butanoylphen...)
Affinity DataKi:  1.40nM ΔG°:  -12.6kcal/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 DepthDetails ArticlePubMed