BDBM160544 US9040717, Compound (3)

SMILES CC(C)(O)CCCOc1cc2c(-c3ccccc3[C@]2(O)C(F)(F)F)c(c1)-c1cnn(c1)C(C)(C)C(N)=O

InChI Key InChIKey=YDLPFGWWTYFQLG-AREMUKBSSA-N

Data  2 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 2 hits for monomerid = 160544   

LigandPNGBDBM160544(US9040717, Compound (3))
Affinity DataIC50:  4.20nMpH: 8.0 T: 2°CAssay Description:For expression of hPDHK2 activity, Escherichia coli strain BL21(DE3) cells (Novagen) were transformed with the pET17b vector containing modified hPDH...More data for this Ligand-Target Pair
In DepthDetails US Patent
LigandPNGBDBM160544(US9040717, Compound (3))
Affinity DataIC50:  3.5nMpH: 8.0Assay Description:For expression of hPDHK1 activity, Escherichia coli strain BL21(DE3) cells (Novagen) were transformed with the pET17b vector containing modified hPDH...More data for this Ligand-Target Pair
In DepthDetails US Patent