Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = '[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial' and Ligand = 'BDBM227588'   

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 2, mitochondrial (Homo sapiens (Human))	BDBM227588 (DCA) Show SMILES OC(=O)C(Cl)Cl Show InChI InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.83E+5	n/a	n/a	n/a	n/a	7.5	25
University of Texas Southwestern Medical Center					Assay Description To determine the IC50 for PDK inhibitors, a mixture containing 0.05-0.2 μM PDK, 6μM E1, with or without 0.5 μM of the PDC core E2/E3BP...				J Biol Chem 289: 4432-43 (2014) Article DOI: 10.1074/jbc.M113.533885 BindingDB Entry DOI: 10.7270/Q2N58K7F
					More data for this Ligand-Target Pair				3D Structure (crystal)
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (Homo sapiens (Human))	BDBM227588 (DCA) Show SMILES OC(=O)C(Cl)Cl Show InChI InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	5.04E+5	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of PDK2 (unknown origin) using full length His6-tagged PDHA1 as substrate after 30 mins by ELISA				J Med Chem 60: 2227-2244 (2017) Article DOI: 10.1021/acs.jmedchem.6b01245 BindingDB Entry DOI: 10.7270/Q2RN3B3M
					More data for this Ligand-Target Pair				3D Structure (crystal)
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (Homo sapiens (Human))	BDBM227588 (DCA) Show SMILES OC(=O)C(Cl)Cl Show InChI InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	9.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged PDK2 expressed in baculovirus infected Sf9 cells using PDHA1 as substrate measured after 1 hr by ELISA				Bioorg Med Chem Lett 27: 5450-5453 (2017) Article DOI: 10.1016/j.bmcl.2017.10.073 BindingDB Entry DOI: 10.7270/Q23N25ZG
					More data for this Ligand-Target Pair				3D Structure (crystal)