BDBM23727 N,N-bis(cyanomethyl)-3,4-dimethoxybenzamide::N,N-bis(cyanomethyl)-3,4-dimethoxybenzamide, 11

SMILES COc1ccc(cc1OC)C(=O)N(CC#N)CC#N

InChI Key InChIKey=GZUJYYKDHAQDKU-UHFFFAOYSA-N

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 23727   

TargetNeutrophil elastase(Human)
Montana State University

LigandPNGBDBM23727(N,N-bis(cyanomethyl)-3,4-dimethoxybenzamide | N,N-...)
Affinity DataKi:  290nM ΔG°:  -8.91kcal/molepH: 7.5 T: 2°CAssay Description:HTS was performed in black flat-bottom 96-well microtiter plates. The reaction was initiated by addition of elastase substrate to the reaction buffer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2008
Entry Details Article
PubMed