BDBM160542 US9040717, Compound (2)::US9040717, Compound (2h)

SMILES CC(C)(O)CCOc1cc2c(-c3ccccc3[C@]2(O)C(F)(F)F)c(c1)-c1cnn(c1)C(C)(C)C(N)=O

InChI Key InChIKey=KNPYQCPWTWANOG-RUZDIDTESA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 160542   

LigandPNGBDBM160542(US9040717, Compound (2) | US9040717, Compound (2h))
Affinity DataIC50:  4.70nMpH: 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
LigandPNGBDBM160542(US9040717, Compound (2) | US9040717, Compound (2h))
Affinity DataIC50:  4.90nMpH: 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
LigandPNGBDBM160542(US9040717, Compound (2) | US9040717, Compound (2h))
Affinity DataIC50:  4.60nMpH: 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
LigandPNGBDBM160542(US9040717, Compound (2) | US9040717, Compound (2h))
Affinity DataIC50:  6.60nMpH: 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