Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial' and Ligand = 'BDBM50111572'   

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, mitochondrial (Homo sapiens (Human))	BDBM50111572 (CHEMBL3605057) Show SMILES O=C(NCCCNc1nc(Nc2cccc(CN3CCOCC3)c2)ncc1C1CC1)C1CCC1 Show InChI InChI=1S/C26H36N6O2/c33-25(21-5-2-6-21)28-11-3-10-27-24-23(20-8-9-20)17-29-26(31-24)30-22-7-1-4-19(16-22)18-32-12-14-34-15-13-32/h1,4,7,16-17,20-21H,2-3,5-6,8-15,18H2,(H,28,33)(H2,27,29,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	421	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of recombinant PDK1 (unknown origin) using PDK1tide substrate incubated for 7 mins				Bioorg Med Chem 23: 5483-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.034 BindingDB Entry DOI: 10.7270/Q2CN75P8
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