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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thymidylate kinase' and Ligand = 'BDBM50223789'   
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)
BDBM50223789
PNG
(CHEMBL430363 | N-(3-chloro-4-trifluoromethylphenyl...)
Show SMILES Cc1cn([C@H]2C[C@H](CNC(=S)Nc3ccc(Cl)c(c3)C(F)(F)F)[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C19H20ClF3N4O4S/c1-9-7-27(18(30)26-16(9)29)15-4-10(14(8-28)31-15)6-24-17(32)25-11-2-3-13(20)12(5-11)19(21,22)23/h2-3,5,7,10,14-15,28H,4,6,8H2,1H3,(H2,24,25,32)(H,26,29,30)/t10-,14-,15-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5.00E+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