Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thymidine kinase 2, mitochondrial' and Ligand = 'BDBM50201002'   

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
Thymidine kinase 2, mitochondrial (Homo sapiens (Human))	BDBM50201002 (1-[8-(triphenylmethoxy)octyl]thymine | CHEMBL37424...) Show SMILES Cc1cn(CCCCCCCCOC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O Show InChI InChI=1S/C32H36N2O3/c1-26-25-34(31(36)33-30(26)35)23-15-4-2-3-5-16-24-37-32(27-17-9-6-10-18-27,28-19-11-7-12-20-28)29-21-13-8-14-22-29/h6-14,17-22,25H,2-5,15-16,23-24H2,1H3,(H,33,35,36)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (C.S.I.C.) Curated by ChEMBL					Assay Description Inhibition of [3H]methyl dThd phosphorylation by TK2				J Med Chem 49: 7766-73 (2006) Article DOI: 10.1021/jm0610550 BindingDB Entry DOI: 10.7270/Q2K073XW
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