BindingDB PrimarySearch

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.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 227593
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (Homo sapiens (Human))	BDBM227593 (PS8) Show SMILES Oc1ccc2CN(Cc2c1)S(=O)(=O)c1ccc(O)cc1O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	426	n/a	n/a	n/a	7.5	15
University of Texas Southwestern Medical Center					Assay 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...				J Biol Chem 289: 4432-43 (2014) Article DOI: 10.1074/jbc.M113.533885 BindingDB Entry DOI: 10.7270/Q2N58K7F
University of Texas Southwestern Medical Center					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat-shock protein 90 (Hsp90) (Homo sapiens (Human))	BDBM227593 (PS8) Show SMILES Oc1ccc2CN(Cc2c1)S(=O)(=O)c1ccc(O)cc1O Show InChI	PDB GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	6.01E+4	n/a	n/a	n/a	7.5	15
University of Texas Southwestern Medical Center					Assay 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...				J Biol Chem 289: 4432-43 (2014) Article DOI: 10.1074/jbc.M113.533885 BindingDB Entry DOI: 10.7270/Q2N58K7F
University of Texas Southwestern Medical Center					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial (Homo sapiens (Human))	BDBM227593 (PS8) Show SMILES Oc1ccc2CN(Cc2c1)S(=O)(=O)c1ccc(O)cc1O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	7.5	25
University of Texas Southwestern Medical Center					Assay 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...				J Biol Chem 289: 4432-43 (2014) Article DOI: 10.1074/jbc.M113.533885 BindingDB Entry DOI: 10.7270/Q2N58K7F
University of Texas Southwestern Medical Center					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (Homo sapiens (Human))	BDBM227593 (PS8) Show SMILES Oc1ccc2CN(Cc2c1)S(=O)(=O)c1ccc(O)cc1O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.07E+3	n/a	n/a	n/a	n/a	7.5	25
University of Texas Southwestern Medical Center					Assay 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...				J Biol Chem 289: 4432-43 (2014) Article DOI: 10.1074/jbc.M113.533885 BindingDB Entry DOI: 10.7270/Q2N58K7F
University of Texas Southwestern Medical Center					More data for this Ligand-Target Pair				3D Structure (crystal)
Pyruvate dehydrogenase kinase 3 (PDK3) (Homo sapiens (Human))	BDBM227593 (PS8) Show SMILES Oc1ccc2CN(Cc2c1)S(=O)(=O)c1ccc(O)cc1O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.37E+4	n/a	n/a	n/a	n/a	7.5	25
University of Texas Southwestern Medical Center					Assay 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...				J Biol Chem 289: 4432-43 (2014) Article DOI: 10.1074/jbc.M113.533885 BindingDB Entry DOI: 10.7270/Q2N58K7F
University of Texas Southwestern Medical Center					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (Homo sapiens (Human))	BDBM227593 (PS8) Show SMILES Oc1ccc2CN(Cc2c1)S(=O)(=O)c1ccc(O)cc1O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB PubMed	n/a	n/a	n/a	426	n/a	n/a	n/a	n/a	n/a
National Institute of Biological Science Curated by ChEMBL					Assay Description Binding affinity to N-terminal His6-SUMO tagged recombinant human PDK2 by isothermal titration calorimetry				J Med Chem 60: 1142-1150 (2017) BindingDB Entry DOI: 10.7270/Q2BP0514
National Institute of Biological Science Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial (Homo sapiens (Human))	BDBM227593 (PS8) Show SMILES Oc1ccc2CN(Cc2c1)S(=O)(=O)c1ccc(O)cc1O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.14E+3	n/a	n/a	n/a	n/a	7.5	25
University of Texas Southwestern Medical Center					Assay 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...				J Biol Chem 289: 4432-43 (2014) Article DOI: 10.1074/jbc.M113.533885 BindingDB Entry DOI: 10.7270/Q2N58K7F
University of Texas Southwestern Medical Center					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (Homo sapiens (Human))	BDBM227593 (PS8) Show SMILES Oc1ccc2CN(Cc2c1)S(=O)(=O)c1ccc(O)cc1O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	710	n/a	n/a	n/a	n/a	7.5	25
University of Texas Southwestern Medical Center					Assay 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...				J Biol Chem 289: 4432-43 (2014) Article DOI: 10.1074/jbc.M113.533885 BindingDB Entry DOI: 10.7270/Q2N58K7F
University of Texas Southwestern Medical Center					More data for this Ligand-Target Pair				3D Structure (crystal)
Pyruvate dehydrogenase kinase 3 (PDK3) (Homo sapiens (Human))	BDBM227593 (PS8) Show SMILES Oc1ccc2CN(Cc2c1)S(=O)(=O)c1ccc(O)cc1O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.55E+3	n/a	n/a	n/a	n/a	7.5	25
University of Texas Southwestern Medical Center					Assay 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...				J Biol Chem 289: 4432-43 (2014) Article DOI: 10.1074/jbc.M113.533885 BindingDB Entry DOI: 10.7270/Q2N58K7F
University of Texas Southwestern Medical Center					More data for this Ligand-Target Pair
Pyruvate dehydrogenase kinase 4 (PDK4) (Homo sapiens (Human))	BDBM227593 (PS8) Show SMILES Oc1ccc2CN(Cc2c1)S(=O)(=O)c1ccc(O)cc1O Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	840	n/a	n/a	n/a	n/a	7.5	25
University of Texas Southwestern Medical Center					Assay 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...				J Biol Chem 289: 4432-43 (2014) Article DOI: 10.1074/jbc.M113.533885 BindingDB Entry DOI: 10.7270/Q2N58K7F
University of Texas Southwestern Medical Center					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (Homo sapiens (Human))	BDBM227593 (PS8) Show SMILES Oc1ccc2CN(Cc2c1)S(=O)(=O)c1ccc(O)cc1O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Biological Science Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-SUMO tagged recombinant human PDK2 using [32P]-gamma-ATP assessed as decrease in incorporation of radioactivity into E1...				J Med Chem 60: 1142-1150 (2017) BindingDB Entry DOI: 10.7270/Q2BP0514
National Institute of Biological Science Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Pyruvate dehydrogenase kinase 4 (PDK4) (Homo sapiens (Human))	BDBM227593 (PS8) Show SMILES Oc1ccc2CN(Cc2c1)S(=O)(=O)c1ccc(O)cc1O Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	7.5	25
University of Texas Southwestern Medical Center					Assay 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...				J Biol Chem 289: 4432-43 (2014) Article DOI: 10.1074/jbc.M113.533885 BindingDB Entry DOI: 10.7270/Q2N58K7F
University of Texas Southwestern Medical Center					More data for this Ligand-Target Pair