Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial' and Ligand = 'BDBM138056'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (Homo sapiens (Human))	BDBM138056 (US8871934, 649) Show SMILES CC(C)Cn1cc(cn1)-c1cc2c(-c3ccccc3C2(O)C(F)(F)F)c(CO)c1 Show InChI InChI=1S/C22H21F3N2O2/c1-13(2)10-27-11-16(9-26-27)14-7-15(12-28)20-17-5-3-4-6-18(17)21(29,19(20)8-14)22(23,24)25/h3-9,11,13,28-29H,10,12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	37	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