BDBM226154 Selaginellin V (3)

SMILES [#6]-[#8]-c1cc(ccc1-[#8])C#Cc1c(-[#6]-[#8])ccc(-c2ccc(-[#8])cc2)c1\[#6](=[#6]-1\[#6]=[#6]-[#6](=O)-[#6]=[#6]-1)-c1ccc(-[#8])cc1

InChI Key InChIKey=ISVJRGHIWGKIGH-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 = 226154   

TargetTyrosine-protein phosphatase non-receptor type 1(Human)
Catholic University of Daegu

LigandPNGBDBM226154(Selaginellin V (3))
Affinity DataKi:  1.13E+4nM ΔG°:  -7.02kcal/mole IC50: 1.45E+4nMpH: 6.0 T: 2°CAssay Description:In each 96-well plates (total 200 μL of volume), there were 2 mM p-NPP and PTP1B (0.05-0.1 μg) in a buffer containing 50 mM citrate (pH 6.0...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/14/2017
Entry Details