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 = 'BDBM50499153'   

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))	BDBM50499153 (CHEMBL3091673) Show SMILES COc1cc2CCN(CC(=O)Nc3ccc4NC(=O)\C(=C/c5cnc[nH]5)c4c3)Cc2cc1OC Show InChI InChI=1S/C25H25N5O4/c1-33-22-7-15-5-6-30(12-16(15)8-23(22)34-2)13-24(31)28-17-3-4-21-19(9-17)20(25(32)29-21)10-18-11-26-14-27-18/h3-4,7-11,14H,5-6,12-13H2,1-2H3,(H,26,27)(H,28,31)(H,29,32)/b20-10-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113334 BindingDB Entry DOI: 10.7270/Q21Z48GP
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