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 = 'BDBM467025'   

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))	BDBM467025 (US10800784, Example 15) Show SMILES C[C@H]1CN(Cc2cnc(n12)[C@@](C)(O)C(F)(F)F)C(=O)c1cc(nn1C)-c1ccccc1 |r| Show InChI InChI=1S/C21H22F3N5O2/c1-13-11-28(12-15-10-25-19(29(13)15)20(2,31)21(22,23)24)18(30)17-9-16(26-27(17)3)14-7-5-4-6-8-14/h4-10,13,31H,11-12H2,1-3H3/t13-,20+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
JAPAN TOBACCO INC. US Patent					Assay Description In the case of human PDHK1 (hPDHK1, NCBI Reference Database Accession number NM_002610.3), a 1.3 kbp fragment encoding this protein was isolated from...				US Patent US10800784 (2020) BindingDB Entry DOI: 10.7270/Q2154M3Z
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