BDBM23726 1,1-dimethylprop-2-yn-1-yl 4-methoxybenzoate, 10::2-methylbut-3-yn-2-yl 4-methoxybenzoate

SMILES COc1ccc(cc1)C(=O)OC(C)(C)C#C

InChI Key InChIKey=WRGOVRZCLGHFFF-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 23726   

TargetNeutrophil elastase(Human)
Montana State University

LigandPNGBDBM23726(2-methylbut-3-yn-2-yl 4-methoxybenzoate | 1,1-dime...)
Affinity DataKi:  110nM ΔG°:  -9.49kcal/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