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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thymidylate kinase' and Ligand = 'BDBM50223814'   
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)		BDBM50223814
PNG
(CHEMBL235695 | N-benzoyl-N'-(5'-deoxy-alpha-D-thym...)
Show SMILES Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=S)NC(=O)c3ccccc3)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C18H20N4O5S/c1-10-9-22(18(26)21-15(10)24)14-7-12(23)13(27-14)8-19-17(28)20-16(25)11-5-3-2-4-6-11/h2-6,9,12-14,23H,7-8H2,1H3,(H,21,24,26)(H2,19,20,25,28)/t12-,13+,14-/m0/s1
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MMDB

KEGG

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PC cid
PC sid
UniChem

Similars
Article
PubMed
 7.20E+3n/an/an/an/an/an/an/an/a



University of Gent

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis TMPK expressed in Escherichia coli by spectrophotometric assay

J Med Chem 50: 5281-92 (2007)


Article DOI: 10.1021/jm0706158
BindingDB Entry DOI: 10.7270/Q2QJ7H1Z
More data for this
Ligand-Target Pair