BDBM7016 (4R,5S,6S,7R)-4,7-bis(2H-1,3-benzodioxol-5-ylmethyl)-1,3-dibenzyl-5,6-dihydroxy-1,3-diazepan-2-one::Cyclic Urea Based HIV-1 Protease Inhibitor 22

SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2ccc3OCOc3c2)N(Cc2ccccc2)C(=O)N(Cc2ccccc2)[C@@H]1Cc1ccc2OCOc2c1

InChI Key InChIKey=QMNHBQAFCJWMJT-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 7016   

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

LigandPNGBDBM7016((4R,5S,6S,7R)-4,7-bis(2H-1,3-benzodioxol-5-ylmethy...)
Affinity DataKi:  1nM ΔG°:  -12.8kcal/molepH: 5.5 T: 2°CAssay Description:Inhibition of HIV protease was measured by assay of the cleavage of a fluorescent peptide substrate. The fluorescent product (2-aminobenzoyl-Ala-Thr-...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/9/2006
Entry Details Article
PubMed