BDBM226153 Selaginellin U (2)

SMILES [#6]-c1ccc(-c2ccc(-[#8])cc2)c(\[#6](=[#6]-2\[#6]=[#6]-[#6](=O)-[#6]=[#6]-2)-c2ccc(-[#8])cc2)c1C#Cc1ccc(-[#8])cc1

InChI Key InChIKey=CSGVSQPOMBWMBN-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 = 226153   

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

LigandPNGBDBM226153(Selaginellin U (2))
Affinity DataKi:  9.70E+3nM ΔG°:  -7.11kcal/mole IC50: 1.38E+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