BDBM33981 arylalkyne pyrazole-based compound, 12

SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1ccccc1Cl

InChI Key InChIKey=LXHBNHMJEMPJNL-UHFFFAOYSA-N

Data  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 = 33981   

TargetCathepsin S(Human)
Johnson & Johnson Pharmaceutical

LigandPNGBDBM33981(arylalkyne pyrazole-based compound, 12)
Affinity DataIC50: 720nMpH: 5.0 T: 2°CAssay Description:Enzyme assays were run using fluorescence resonance energy transfer-based substrates, (Aedens)EKARVLAEAA(Dabcyl)K-amide and cathepsin S cleaves betwe...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/8/2009
Entry Details Article
PubMed