Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial' and Ligand = 'BDBM227594'   

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 3, mitochondrial (Homo sapiens (Human))	BDBM227594 (PS10) Show SMILES Oc1ccc(c(O)c1)S(=O)(=O)N1Cc2cc(O)cc(O)c2C1 Show InChI InChI=1S/C14H13NO6S/c16-9-1-2-14(13(19)4-9)22(20,21)15-6-8-3-10(17)5-12(18)11(8)7-15/h1-5,16-19H,6-7H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.13E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd. Curated by ChEMBL					Assay Description Binding affinity towards human Dopamine receptor D2 (long) by [3H]-spiperone displacement.				J Med Chem 60: 2271-2286 (2017) Article DOI: 10.1021/acs.jmedchem.6b01478 BindingDB Entry DOI: 10.7270/Q2XG9TDJ
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial (Homo sapiens (Human))	BDBM227594 (PS10) Show SMILES Oc1ccc(c(O)c1)S(=O)(=O)N1Cc2cc(O)cc(O)c2C1 Show InChI InChI=1S/C14H13NO6S/c16-9-1-2-14(13(19)4-9)22(20,21)15-6-8-3-10(17)5-12(18)11(8)7-15/h1-5,16-19H,6-7H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.13E+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
					More data for this Ligand-Target Pair