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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thymidylate kinase' and Ligand = 'BDBM50223792'   
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)		BDBM50223792
PNG
(1-(((2R,3S,5S)-2-(hydroxymethyl)-5-(5-methyl-2,4-d...)
Show SMILES Cc1cn([C@H]2C[C@H](CNC(=O)NC[C@@H]3C[C@H](O[C@H]3CO)n3cc(C)c(=O)[nH]c3=O)[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C23H32N6O9/c1-11-7-28(22(35)26-19(11)32)17-3-13(15(9-30)37-17)5-24-21(34)25-6-14-4-18(38-16(14)10-31)29-8-12(2)20(33)27-23(29)36/h7-8,13-18,30-31H,3-6,9-10H2,1-2H3,(H2,24,25,34)(H,26,32,35)(H,27,33,36)/t13-,14+,15-,16+,17-,18+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 3.70E+4n/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