BDBM226155 Selaginellin W (4)

SMILES [#8]-c1ccc(cc1)C#Cc1cccc(-c2ccc(-[#8])cc2-[#8])c1\[#6](=[#6]-1/[#6]=[#6]-[#6](=O)-[#6]=[#6]-1)-c1ccc(-[#8])cc1

InChI Key InChIKey=GRZCRQOMMVNLHW-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 = 226155   

TargetTyrosine-protein phosphatase non-receptor type 1(Homo sapiens (Human))
Catholic University Of Daegu

LigandPNGBDBM226155(Selaginellin W (4))
Affinity DataKi:  1.11E+4nM ΔG°:  -7.03kcal/mole IC50:  1.46E+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
Ligand InfoPC cidPC sid
In DepthDetails