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 = 'BDBM50472654'   

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))	BDBM50472654 (CHEMBL75507) Show SMILES C[C@@](O)(C(=O)Nc1ccc(cc1Cl)S(=O)(=O)NCCCN1CCCC1=O)C(F)(F)F Show InChI InChI=1S/C17H21ClF3N3O5S/c1-16(27,17(19,20)21)15(26)23-13-6-5-11(10-12(13)18)30(28,29)22-7-3-9-24-8-2-4-14(24)25/h5-6,10,22,27H,2-4,7-9H2,1H3,(H,23,26)/t16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	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
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