BDBM1162 (4R,5S,6S,7R)-1,3-Dibenzyl-4,7-bis(3-phenylpropyl)-5,6-dihydroxy-1,3-diazepan-2-one::(4R,5S,6S,7R)-1,3-dibenzyl-5,6-dihydroxy-4,7-bis(3-phenylpropyl)-1,3-diazepan-2-one::Cyclic Urea 3

SMILES O[C@@H]1[C@@H](O)[C@@H](CCCc2ccccc2)N(Cc2ccccc2)C(=O)N(Cc2ccccc2)[C@@H]1CCCc1ccccc1

InChI Key InChIKey=PCZZRLMYGNFQOV-UHFFFAOYSA-N

Data  1 KI  1 IC50

  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 = 1162   

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

LigandPNGBDBM1162((4R,5S,6S,7R)-1,3-Dibenzyl-4,7-bis(3-phenylpropyl)...)
Affinity DataKi:  570nM ΔG°:  -8.85kcal/mole IC50: 1.00E+4nMpH: 5.5 T: 2°CAssay Description:The IC50 value is the inhibitor concentration that results in 50% of HIV-1 protease activity measured by a spectrophotometric assay using a chromopho...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/23/2004
Entry Details Article
PubMed