Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thymidine kinase 2, mitochondrial' and Ligand = 'BDBM50200992'   

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))	BDBM50200992 (4-[1,1-(diphenyl)-1-(Z)-[4-(thymin-1-yl)but-2-enox...) Show SMILES CNC(=O)c1ccc(cc1)C(OC\C=C/Cn1cc(C)c(=O)[nH]c1=O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C30H29N3O4/c1-22-21-33(29(36)32-27(22)34)19-9-10-20-37-30(24-11-5-3-6-12-24,25-13-7-4-8-14-25)26-17-15-23(16-18-26)28(35)31-2/h3-18,21H,19-20H2,1-2H3,(H,31,35)(H,32,34,36)/b10-9-	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+3	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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