BDBM181 (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis({3-[2,2,2-trifluoro-1-(hydroxyimino)ethyl]phenyl}methyl)-1,3-diazepan-2-one::CHEMBL294295::Cyclic Urea

SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(c2)C(N=O)C(F)(F)F)C(=O)N(Cc2cccc(c2)C(N=O)C(F)(F)F)[C@@H]1Cc1ccccc1

InChI Key InChIKey=WCAGFROALOKRDR-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 = 181   

TargetDimer of Gag-Pol polyprotein [501-599](Human immunodeficiency virus type 1)
Dupont Pharmaceuticals

LigandPNGBDBM181((4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis({...)
Affinity DataKi:  3.90nM ΔG°:  -11.9kcal/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
LigandPNGBDBM181((4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis({...)
Affinity DataKi:  3.90nMAssay 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