Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial' and Ligand = 'BDBM138057'   

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))	BDBM138057 (US8871934, 650 | US8871934, 660) Show SMILES CC(C)(C)Cn1cc(cn1)-c1cc2c(-c3ccccc3C2(O)C(F)(F)F)c(CO)c1 Show InChI InChI=1S/C23H23F3N2O2/c1-21(2,3)13-28-11-16(10-27-28)14-8-15(12-29)20-17-6-4-5-7-18(17)22(30,19(20)9-14)23(24,25)26/h4-11,29-30H,12-13H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	8.0	30
Japan Tobacco Inc. US Patent					Assay Description The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the ...				US Patent US8871934 (2014) BindingDB Entry DOI: 10.7270/Q2JQ0ZQT
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (Homo sapiens (Human))	BDBM138057 (US8871934, 650 | US8871934, 660) Show SMILES CC(C)(C)Cn1cc(cn1)-c1cc2c(-c3ccccc3C2(O)C(F)(F)F)c(CO)c1 Show InChI InChI=1S/C23H23F3N2O2/c1-21(2,3)13-28-11-16(10-27-28)14-8-15(12-29)20-17-6-4-5-7-18(17)22(30,19(20)9-14)23(24,25)26/h4-11,29-30H,12-13H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	36	n/a	n/a	n/a	n/a	8.0	30
Japan Tobacco Inc. US Patent					Assay Description The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the ...				US Patent US8871934 (2014) BindingDB Entry DOI: 10.7270/Q2JQ0ZQT
					More data for this Ligand-Target Pair