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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thymidine kinase 2, mitochondrial' and Ligand = 'BDBM50314849'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Thymidine kinase 2, mitochondrial


(Homo sapiens (Human))		BDBM50314849
PNG
(CHEMBL1091872 | N-methyl-4-((8-(5-methyl-2,4-dioxo...)
Show SMILES CNC(=O)c1ccc(cc1)C(OCCCCCCCCn1cc(C)c(=O)[nH]c1=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C34H39N3O4/c1-26-25-37(33(40)36-31(26)38)23-13-5-3-4-6-14-24-41-34(28-15-9-7-10-16-28,29-17-11-8-12-18-29)30-21-19-27(20-22-30)32(39)35-2/h7-12,15-22,25H,3-6,13-14,23-24H2,1-2H3,(H,35,39)(H,36,38,40)
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Ghent University

Curated by ChEMBL


Assay Description
Inhibition of thymidine kinase 2

J Med Chem 53: 2902-12 (2010)


Article DOI: 10.1021/jm901532h
BindingDB Entry DOI: 10.7270/Q26D5T47
More data for this
Ligand-Target Pair