Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial' and Ligand = 'BDBM227590'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (Homo sapiens (Human))	BDBM227590 (PA1) Show SMILES Oc1cc(O)c(cc1Br)C(=O)N1Cc2ccccc2C1 Show InChI InChI=1S/C15H12BrNO3/c16-12-5-11(13(18)6-14(12)19)15(20)17-7-9-3-1-2-4-10(9)8-17/h1-6,18-19H,7-8H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	6.78E+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
					More data for this Ligand-Target Pair				3D Structure (crystal)
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (Homo sapiens (Human))	BDBM227590 (PA1) Show SMILES Oc1cc(O)c(cc1Br)C(=O)N1Cc2ccccc2C1 Show InChI InChI=1S/C15H12BrNO3/c16-12-5-11(13(18)6-14(12)19)15(20)17-7-9-3-1-2-4-10(9)8-17/h1-6,18-19H,7-8H2	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	3.57E+3	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
					More data for this Ligand-Target Pair				3D Structure (crystal)