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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 = 'BDBM50201004'   
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))
BDBM50201004
PNG
(1-[6-[1-(4-chlorophenyl)-1,1-(diphenyl)methoxy]hex...)
Show SMILES Cc1cn(CCCCCCOC(c2ccccc2)(c2ccccc2)c2ccc(Cl)cc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C30H31ClN2O3/c1-23-22-33(29(35)32-28(23)34)20-10-2-3-11-21-36-30(24-12-6-4-7-13-24,25-14-8-5-9-15-25)26-16-18-27(31)19-17-26/h4-9,12-19,22H,2-3,10-11,20-21H2,1H3,(H,32,34,35)
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PC sid
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Similars

Article
PubMed
n/an/a 1.90E+3n/an/an/an/an/an/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
More data for this
Ligand-Target Pair