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 = 'BDBM50472655'   

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))	BDBM50472655 (CHEMBL73579) Show SMILES [Na;v0+].[#6]-[#6](-[#6])-[#6@H](-[#7](-[#6])-[#6](=O)-c1ccc(-[#7]-[#6](=O)[C@@]([#6])([#8])C(F)(F)F)c(Cl)c1)-[#6](-[#8-])=O |r| Show InChI InChI=1S/C17H20ClF3N2O5.Na/c1-8(2)12(14(25)26)23(4)13(24)9-5-6-11(10(18)7-9)22-15(27)16(3,28)17(19,20)21;/h5-8,12,28H,1-4H3,(H,22,27)(H,25,26);/q;+1/p-1/t12-,16+;/m0./s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	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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