BDBM24736 Capped tripeptide aldehyde inhibitor, 24::benzyl N-[(1S)-5-amino-1-{[(1S)-5-amino-1-{[(2S)-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl}pentyl]carbamoyl}pentyl]carbamate

SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O

InChI Key InChIKey=XUBLTUXLLVEENR-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 = 24736   

TargetGenome polyprotein [1424-1463]/[1502-1685](WNV)
University of Queensland

LigandPNGBDBM24736(benzyl N-[(1S)-5-amino-1-{[(1S)-5-amino-1-{[(2S)-5...)
Affinity DataKi:  40nM ΔG°:  -10.5kcal/mole IC50: 222nMpH: 9.5 T: 2°CAssay Description:Inhibition of WNV protease activity was measured using recombinant WNV protease, which first incubated with inhibitor in 96-well plates. Catalysis wa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2008
Entry Details Article
PubMed