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Literature summary extracted from

  • Van Poecke, S.; Negri, A.; Gago, F.; Van Daele, I.; Solaroli, N.; Karlsson, A.; Balzarini, J.; Van Calenbergh, S.
    3-[4-Aryl-(1,2,3-triazol-1-yl)]-3-deoxythymidine analogues as potent and selective inhibitors of human mitochondrial thymidine kinase (2010), J. Med. Chem., 53, 2902-2912.
    View publication on PubMed

Inhibitors

EC Number Inhibitors Comment Organism Structure
2.7.1.21 1-(3'-deoxy-5'-O-triphenylmethyl-beta-D-thymidin-3'-yl)-3-(4-chloro-3-(trifluoromethyl)-phenyl)-thiourea
-
 Homo sapiens
2.7.1.21 1-[(Z)-4-(triphenylmethoxy)-2-butenyl]thymine
-
 Homo sapiens
2.7.1.21 3'-(1,2,3-triazol-1-yl)-3'-deoxy-beta-D-thymidine
-
 Homo sapiens
2.7.1.21 3'-(4-benzyl-1,2,3-triazol-1-yl)-3'-deoxy-beta-D-thymidine
-
 Homo sapiens
2.7.1.21 3'-(4-butyl-1,2,3-triazol-1-yl)-3'-deoxy-beta-D-thymidine
-
 Homo sapiens
2.7.1.21 3'-(4-chlorophenyl-1,2,3-triazol-1-yl)-3'-deoxy-beta-(E)-5-(2-bromovinyl)-2'-deoxyuridine
-
 Homo sapiens
2.7.1.21 3'-(4-chlorophenyl-1,2,3-triazol-1-yl)-3'-deoxy-beta-D-thymidine
-
 Homo sapiens
2.7.1.21 3'-(4-cyclopentylmethyl-1,2,3-triazol-1-yl)-3'-deoxy-beta-D-thymidine
-
 Homo sapiens
2.7.1.21 3'-(5-(4-chlorophenyl)-1,2,3-triazol-1-yl)-3'-deoxy-beta-D-thymidine
-
 Homo sapiens
2.7.1.21 3'-([[4-chloro-3-(trifluoromethyl)phenyl]carbamothioyl]amino)-2',3'-dideoxy-3,4-dihydrothymidine
-
 Homo sapiens
2.7.1.21 3'-deoxy-3'-(4-(3,4-dichlorophenyl)-1,2,3-triazol-1-yl)-beta-D-thymidine
-
 Homo sapiens
2.7.1.21 3'-deoxy-3'-(4-phenyl-1,2,3-triazol-1-yl)-beta-(E)-5-(2-bromovinyl)-2'-deoxyuridine
-
 Homo sapiens
2.7.1.21 3'-deoxy-3'-(4-phenyl-1,2,3-triazol-1-yl)-beta-D-thymidine
-
 Homo sapiens
2.7.1.21 3'-deoxy-3'-(4-pyridin-2-yl-1,2,3-triazol-1-yl)-beta-D-thymidine
-
 Homo sapiens
2.7.1.21 3'-deoxy-3'-(5-phenyl-1,2,3-triazol-1-yl)-beta-D-thymidine
-
 Homo sapiens
2.7.1.21 3'-hexanoylamino-3'-deoxythymidine very potent inhibitor of thymidine kinase 2 Homo sapiens
2.7.1.21 5-(E)-(2-bromovinyl)uridine
-
 Homo sapiens
2.7.1.21 5-[(E)-2-bromoethenyl]-2'-O-octanoyluridine
-
 Homo sapiens
2.7.1.21 N-methyl-4-[{[8-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)octyl]oxy}(diphenyl)methyl]benzamide
-
 Homo sapiens

Localization

EC Number Localization Comment Organism GeneOntology No. Textmining
2.7.1.21 mitochondrion
-
 Homo sapiens 5739
-

Organism

EC Number Organism UniProt Comment Textmining
2.7.1.21 Homo sapiens
-
-
-

Substrates and Products (Substrate)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
2.7.1.21 ATP + thymidine
-
 Homo sapiens ADP + dTMP
-
 ?

Synonyms

EC Number Synonyms Comment Organism
2.7.1.21 thymidine kinase 2
-
 Homo sapiens
2.7.1.21 TK-2
-
 Homo sapiens

Ki Value [mM]

EC Number Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
2.7.1.21 0.0104
-
 5-(E)-(2-bromovinyl)uridine thymidine kinase 2, in 50 mM Tris/HCl, pH 8.0, 2.5 mM MgCl2, 10 mM dithiothreitol, 0.5 mM CHAPS, 3 mg/ml bovine serum albumin, at 37°C Homo sapiens

IC50 Value

EC Number IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
2.7.1.21 0.000036
-
 thymidine kinase 2, in 50 mM Tris/HCl, pH 8.0, 2.5 mM MgCl2, 10 mM dithiothreitol, 0.5 mM CHAPS, 3 mg/ml bovine serum albumin, at 37°C Homo sapiens 3'-(4-chlorophenyl-1,2,3-triazol-1-yl)-3'-deoxy-beta-(E)-5-(2-bromovinyl)-2'-deoxyuridine
2.7.1.21 0.000042
-
 thymidine kinase 2, in 50 mM Tris/HCl, pH 8.0, 2.5 mM MgCl2, 10 mM dithiothreitol, 0.5 mM CHAPS, 3 mg/ml bovine serum albumin, at 37°C Homo sapiens 3'-deoxy-3'-(4-(3,4-dichlorophenyl)-1,2,3-triazol-1-yl)-beta-D-thymidine
2.7.1.21 0.000046
-
 thymidine kinase 2, in 50 mM Tris/HCl, pH 8.0, 2.5 mM MgCl2, 10 mM dithiothreitol, 0.5 mM CHAPS, 3 mg/ml bovine serum albumin, at 37°C Homo sapiens 3'-(4-chlorophenyl-1,2,3-triazol-1-yl)-3'-deoxy-beta-D-thymidine
2.7.1.21 0.00015
-
 thymidine kinase 2, in 50 mM Tris/HCl, pH 8.0, 2.5 mM MgCl2, 10 mM dithiothreitol, 0.5 mM CHAPS, 3 mg/ml bovine serum albumin, at 37°C Homo sapiens 3'-([[4-chloro-3-(trifluoromethyl)phenyl]carbamothioyl]amino)-2',3'-dideoxy-3,4-dihydrothymidine
2.7.1.21 0.00015
-
 thymidine kinase 2, in 50 mM Tris/HCl, pH 8.0, 2.5 mM MgCl2, 10 mM dithiothreitol, 0.5 mM CHAPS, 3 mg/ml bovine serum albumin, at 37°C Homo sapiens 3'-(4-cyclopentylmethyl-1,2,3-triazol-1-yl)-3'-deoxy-beta-D-thymidine
2.7.1.21 0.00023
-
 thymidine kinase 2, in 50 mM Tris/HCl, pH 8.0, 2.5 mM MgCl2, 10 mM dithiothreitol, 0.5 mM CHAPS, 3 mg/ml bovine serum albumin, at 37°C Homo sapiens 3'-(4-butyl-1,2,3-triazol-1-yl)-3'-deoxy-beta-D-thymidine
2.7.1.21 0.00025
-
 thymidine kinase 2, in 50 mM Tris/HCl, pH 8.0, 2.5 mM MgCl2, 10 mM dithiothreitol, 0.5 mM CHAPS, 3 mg/ml bovine serum albumin, at 37°C Homo sapiens 3'-deoxy-3'-(4-phenyl-1,2,3-triazol-1-yl)-beta-(E)-5-(2-bromovinyl)-2'-deoxyuridine
2.7.1.21 0.0003
-
 thymidine kinase 2, in 50 mM Tris/HCl, pH 8.0, 2.5 mM MgCl2, 10 mM dithiothreitol, 0.5 mM CHAPS, 3 mg/ml bovine serum albumin, at 37°C Homo sapiens 3'-(4-benzyl-1,2,3-triazol-1-yl)-3'-deoxy-beta-D-thymidine
2.7.1.21 0.00032
-
 thymidine kinase 2, in 50 mM Tris/HCl, pH 8.0, 2.5 mM MgCl2, 10 mM dithiothreitol, 0.5 mM CHAPS, 3 mg/ml bovine serum albumin, at 37°C Homo sapiens 3'-deoxy-3'-(4-phenyl-1,2,3-triazol-1-yl)-beta-D-thymidine
2.7.1.21 0.0011
-
 thymidine kinase 2, in 50 mM Tris/HCl, pH 8.0, 2.5 mM MgCl2, 10 mM dithiothreitol, 0.5 mM CHAPS, 3 mg/ml bovine serum albumin, at 37°C Homo sapiens 3'-deoxy-3'-(5-phenyl-1,2,3-triazol-1-yl)-beta-D-thymidine
2.7.1.21 0.0013
-
 thymidine kinase 2, in 50 mM Tris/HCl, pH 8.0, 2.5 mM MgCl2, 10 mM dithiothreitol, 0.5 mM CHAPS, 3 mg/ml bovine serum albumin, at 37°C Homo sapiens 3'-deoxy-3'-(4-pyridin-2-yl-1,2,3-triazol-1-yl)-beta-D-thymidine
2.7.1.21 0.0015
-
 thymidine kinase 2, in 50 mM Tris/HCl, pH 8.0, 2.5 mM MgCl2, 10 mM dithiothreitol, 0.5 mM CHAPS, 3 mg/ml bovine serum albumin, at 37°C Homo sapiens 1-[(Z)-4-(triphenylmethoxy)-2-butenyl]thymine
2.7.1.21 0.004
-
 thymidine kinase 2, in 50 mM Tris/HCl, pH 8.0, 2.5 mM MgCl2, 10 mM dithiothreitol, 0.5 mM CHAPS, 3 mg/ml bovine serum albumin, at 37°C Homo sapiens 3'-(5-(4-chlorophenyl)-1,2,3-triazol-1-yl)-3'-deoxy-beta-D-thymidine
2.7.1.21 0.0047
-
 thymidine kinase 2, in 50 mM Tris/HCl, pH 8.0, 2.5 mM MgCl2, 10 mM dithiothreitol, 0.5 mM CHAPS, 3 mg/ml bovine serum albumin, at 37°C Homo sapiens 3'-(1,2,3-triazol-1-yl)-3'-deoxy-beta-D-thymidine
2.7.1.21 0.5
-
 IC50 above 0.5 mM, thymidine kinase 2, in 50 mM Tris/HCl, pH 8.0, 2.5 mM MgCl2, 10 mM dithiothreitol, 0.5 mM CHAPS, 3 mg/ml bovine serum albumin, at 37°C Homo sapiens 1-(3'-deoxy-5'-O-triphenylmethyl-beta-D-thymidin-3'-yl)-3-(4-chloro-3-(trifluoromethyl)-phenyl)-thiourea