Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1,/2,/3,/4, mitochondrial' and Ligand = 'BDBM50472641'   

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 1,/2,/3,/4, mitochondrial (Homo sapiens (Human))	BDBM50472641 (CHEMBL306522) Show SMILES C[C@@](O)(C(=O)Nc1ccc(cc1Cl)S(=O)(=O)N1CCN(CC1)c1ccccn1)C(F)(F)F Show InChI InChI=1S/C19H20ClF3N4O4S/c1-18(29,19(21,22)23)17(28)25-15-6-5-13(12-14(15)20)32(30,31)27-10-8-26(9-11-27)16-4-2-3-7-24-16/h2-7,12,29H,8-11H2,1H3,(H,25,28)/t18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of porcine pyruvate dehydrogenase kinase (PDHK)in a primary enzymatic assay				J Med Chem 43: 2248-57 (2000) Article DOI: 10.1021/jm0000923 BindingDB Entry DOI: 10.7270/Q2C82D1Z
					More data for this Ligand-Target Pair