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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Thymidine kinase, cytosolic' and Ligand = 'BDBM50314841'   
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
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM50314841
PNG
(3'-(4-(2-Pyridine)-1,2,3-triazole-1-yl)-2'-deoxyth...)
Show SMILES Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(nn2)-c2ccccn2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C17H18N6O4/c1-10-7-22(17(26)19-16(10)25)15-6-13(14(9-24)27-15)23-8-12(20-21-23)11-4-2-3-5-18-11/h2-5,7-8,13-15,24H,6,9H2,1H3,(H,19,25,26)/t13-,14+,15+/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.30E+4n/an/an/an/an/an/a



Swedish University Agricultural Sciences

Curated by ChEMBL


Assay Description
Inhibition of human TK1 by liquid scintillation counting


Bioorg Med Chem 18: 3261-9 (2010)


Article DOI: 10.1016/j.bmc.2010.03.023
BindingDB Entry DOI: 10.7270/Q2QN66Z0
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM50314841
PNG
(3'-(4-(2-Pyridine)-1,2,3-triazole-1-yl)-2'-deoxyth...)
Show SMILES Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(nn2)-c2ccccn2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C17H18N6O4/c1-10-7-22(17(26)19-16(10)25)15-6-13(14(9-24)27-15)23-8-12(20-21-23)11-4-2-3-5-18-11/h2-5,7-8,13-15,24H,6,9H2,1H3,(H,19,25,26)/t13-,14+,15+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 3.16E+5n/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic thymidine kinase 1 assessed as inhibition of [methyl-3H]dThd phosphorylation after 30 mins by scintillation...


J Med Chem 53: 2902-12 (2010)


Article DOI: 10.1021/jm901532h
BindingDB Entry DOI: 10.7270/Q26D5T47
More data for this
Ligand-Target Pair