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 = 'BDBM160544'   

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))	BDBM160544 (US9040717, Compound (3)) Show SMILES CC(C)(O)CCCOc1cc2c(-c3ccccc3[C@]2(O)C(F)(F)F)c(c1)-c1cnn(c1)C(C)(C)C(N)=O Show InChI InChI=1S/C27H30F3N3O4/c1-24(2,35)10-7-11-37-17-12-19(16-14-32-33(15-16)25(3,4)23(31)34)22-18-8-5-6-9-20(18)26(36,21(22)13-17)27(28,29)30/h5-6,8-9,12-15,35-36H,7,10-11H2,1-4H3,(H2,31,34)/t26-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.5	n/a	n/a	n/a	n/a	8.0	n/a
JAPAN TOBACCO INC. US Patent					Assay Description For expression of hPDHK1 activity, Escherichia coli strain BL21(DE3) cells (Novagen) were transformed with the pET17b vector containing modified hPDH...				US Patent US9040717 (2015) BindingDB Entry DOI: 10.7270/Q2NK3CSC
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