BDBM227593 PS8

SMILES Oc1ccc2CN(Cc2c1)S(=O)(=O)c1ccc(O)cc1O

InChI Key InChIKey=WRKXOYGLVREKOE-UHFFFAOYSA-N

Data  9 IC50  3 Kd

PDB links: 1 PDB ID matches this monomer.

  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 12 hits for monomerid = 227593   

Target[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial(Homo sapiens (Human))
University of Texas Southwestern Medical Center

LigandPNGBDBM227593(PS8)
Affinity DataKd:  426nMpH: 7.5 T: 2°CAssay Description:The PDK2 or Hsp90 N-terminal domain protein was dialyzed against 1 liter of thedialysis buffer containing 50 mM Tris-Cl, pH 7.5, 50 mM KCl, 1 mM MgCl...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetHeat shock protein HSP 90-alpha [1-236](Homo sapiens (Human))
University of Texas Southwestern Medical Center

LigandPNGBDBM227593(PS8)
Affinity DataKd:  6.01E+4nMpH: 7.5 T: 2°CAssay Description:The PDK2 or Hsp90 N-terminal domain protein was dialyzed against 1 liter of thedialysis buffer containing 50 mM Tris-Cl, pH 7.5, 50 mM KCl, 1 mM MgCl...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
Target[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial(Homo sapiens (Human))
University of Texas Southwestern Medical Center

LigandPNGBDBM227593(PS8)
Affinity DataIC50:  2.50E+3nMpH: 7.5 T: 2°CAssay Description:To determine the IC50 for PDK inhibitors, a mixture containing 0.05-0.2 μM PDK, 6μM E1, with or without 0.5 μM of the PDC core E2/E3BP...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
Target[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial(Homo sapiens (Human))
University of Texas Southwestern Medical Center

LigandPNGBDBM227593(PS8)
Affinity DataIC50:  1.07E+3nMpH: 7.5 T: 2°CAssay Description:To determine the IC50 for PDK inhibitors, a mixture containing 0.05-0.2 μM PDK, 6μM E1, with or without 0.5 μM of the PDC core E2/E3BP...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
Target[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial(Homo sapiens (Human))
University of Texas Southwestern Medical Center

LigandPNGBDBM227593(PS8)
Affinity DataIC50:  1.37E+4nMpH: 7.5 T: 2°CAssay Description:To determine the IC50 for PDK inhibitors, a mixture containing 0.05-0.2 μM PDK, 6μM E1, with or without 0.5 μM of the PDC core E2/E3BP...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
Target[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial(Homo sapiens (Human))
University of Texas Southwestern Medical Center

LigandPNGBDBM227593(PS8)
Affinity DataKd:  426nMAssay Description:Binding affinity to N-terminal His6-SUMO tagged recombinant human PDK2 by isothermal titration calorimetryMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
Target[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial(Homo sapiens (Human))
University of Texas Southwestern Medical Center

LigandPNGBDBM227593(PS8)
Affinity DataIC50:  2.14E+3nMpH: 7.5 T: 2°CAssay Description:To determine the IC50 for PDK inhibitors, a mixture containing 0.05-0.2 μM PDK, 6μM E1, with or without 0.5 μM of the PDC core E2/E3BP...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
Target[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial(Homo sapiens (Human))
University of Texas Southwestern Medical Center

LigandPNGBDBM227593(PS8)
Affinity DataIC50:  710nMpH: 7.5 T: 2°CAssay Description:To determine the IC50 for PDK inhibitors, a mixture containing 0.05-0.2 μM PDK, 6μM E1, with or without 0.5 μM of the PDC core E2/E3BP...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
Target[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial(Homo sapiens (Human))
University of Texas Southwestern Medical Center

LigandPNGBDBM227593(PS8)
Affinity DataIC50:  2.55E+3nMpH: 7.5 T: 2°CAssay Description:To determine the IC50 for PDK inhibitors, a mixture containing 0.05-0.2 μM PDK, 6μM E1, with or without 0.5 μM of the PDC core E2/E3BP...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
Target[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial(Homo sapiens (Human))
University of Texas Southwestern Medical Center

LigandPNGBDBM227593(PS8)
Affinity DataIC50:  840nMpH: 7.5 T: 2°CAssay Description:To determine the IC50 for PDK inhibitors, a mixture containing 0.05-0.2 μM PDK, 6μM E1, with or without 0.5 μM of the PDC core E2/E3BP...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
Target[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial(Homo sapiens (Human))
University of Texas Southwestern Medical Center

LigandPNGBDBM227593(PS8)
Affinity DataIC50:  570nMAssay Description:Inhibition of N-terminal His6-SUMO tagged recombinant human PDK2 using [32P]-gamma-ATP assessed as decrease in incorporation of radioactivity into E1...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
Target[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial(Homo sapiens (Human))
University of Texas Southwestern Medical Center

LigandPNGBDBM227593(PS8)
Affinity DataIC50:  1.10E+3nMpH: 7.5 T: 2°CAssay Description:To determine the IC50 for PDK inhibitors, a mixture containing 0.05-0.2 μM PDK, 6μM E1, with or without 0.5 μM of the PDC core E2/E3BP...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed