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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thymidylate kinase' and Ligand = 'BDBM50332935'   
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
Thymidylate kinase


(Mycobacterium tuberculosis)		BDBM50332935
PNG
(CHEMBL1631395 | N-(1-(4-(5-methyl-2,4-dioxo-3,4-di...)
Show SMILES CC(=O)Nc1cc2CCCn3c2c(c1)n(C\C=C\Cn1cc(C)c(=O)[nH]c1=O)c3=O
Show InChI InChI=1S/C21H23N5O4/c1-13-12-24(20(29)23-19(13)28)7-3-4-8-25-17-11-16(22-14(2)27)10-15-6-5-9-26(18(15)17)21(25)30/h3-4,10-12H,5-9H2,1-2H3,(H,22,27)(H,23,28,29)/b4-3+
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Similars
Article
PubMed
 930n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis Thymidine monophosphate kinase by spectrophotometry

Eur J Med Chem 45: 5910-8 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.056
BindingDB Entry DOI: 10.7270/Q2PN95WH
More data for this
Ligand-Target Pair