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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thymidylate kinase' and Ligand = 'BDBM50223812'   
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)		BDBM50223812
PNG
(CHEMBL429626 | N-(5'-deoxyadenosin-5'-yl)-N'-(alph...)
Show SMILES Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=S)N[C@H]3OC([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C20H25N9O7S/c1-7-4-28(20(34)26-16(7)33)10-2-8(30)9(35-10)3-22-19(37)27-17-12(31)13(32)18(36-17)29-6-25-11-14(21)23-5-24-15(11)29/h4-6,8-10,12-13,17-18,30-32H,2-3H2,1H3,(H2,21,23,24)(H2,22,27,37)(H,26,33,34)/t8-,9+,10-,12-,13+,17-,18?/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 2.60E+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		3D
3D Structure (docked)