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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thymidylate kinase' and Ligand = 'BDBM50498054'   
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)
BDBM50498054
PNG
(CHEMBL1477426)
Show SMILES CSc1cc(nc(O)c1C#N)-c1ccccc1
Show InChI InChI=1S/C13H10N2OS/c1-17-12-7-11(9-5-3-2-4-6-9)15-13(16)10(12)8-14/h2-7H,1H3,(H,15,16)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis thymidylate kinase activity by pyruvate kinase-lactate dehydrogenase coupled assay


J Med Chem 58: 753-66 (2015)


Article DOI: 10.1021/jm5012947
BindingDB Entry DOI: 10.7270/Q2JS9TD7
More data for this
Ligand-Target Pair