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 = 'BDBM50032679'   

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))	BDBM50032679 (CHEMBL3354657) Show SMILES COc1ccc(cc1)-c1c(\C=C\C(=O)N2CCN(CC2)c2ccccc2)noc1-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C29H26ClN3O5/c1-37-21-9-7-19(8-10-21)28-24(31-38-29(28)22-17-23(30)26(35)18-25(22)34)11-12-27(36)33-15-13-32(14-16-33)20-5-3-2-4-6-20/h2-12,17-18,34-35H,13-16H2,1H3/b12-11+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.92E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant PDHK1 (unknown origin) expressed in Escherichia coli incubated for 1 hr by ELISA				J Med Chem 57: 9832-43 (2014) Article DOI: 10.1021/jm5010144 BindingDB Entry DOI: 10.7270/Q2P270R1
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