Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thymidine kinase 2, mitochondrial' and Ligand = 'BDBM50206495'   

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))	BDBM50206495 (1-[2'-O-(4-methoxyphenylacetyl)-beta-D-arabinofura...) Show SMILES COc1ccc(CC(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@H]2n2cc(C=CBr)c(=O)[nH]c2=O)cc1 |w:22.23| Show InChI InChI=1S/C20H21BrN2O8/c1-29-13-4-2-11(3-5-13)8-15(25)31-17-16(26)14(10-24)30-19(17)23-9-12(6-7-21)18(27)22-20(23)28/h2-7,9,14,16-17,19,24,26H,8,10H2,1H3,(H,22,27,28)/t14-,16-,17+,19-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ferrara Curated by ChEMBL					Assay Description Inhibition of human TK2 assessed as [methyl-3H]dThd phosphorylation				Bioorg Med Chem 15: 3065-81 (2007) Article DOI: 10.1016/j.bmc.2007.01.049 BindingDB Entry DOI: 10.7270/Q29C6Z76
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