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Literature summary for 2.7.1.32 extracted from

  • Schiaffino-Ortega, S.; Baglioni, E.; Mariotto, E.; Bortolozzi, R.; Serran-Aguilera, L.; Rios-Marco, P.; Carrasco-Jimenez, M.P.; Gallo, M.A.; Hurtado-Guerrero, R.; Marco, C.; Basso, G.; Viola, G.; Entrena, A.; Lopez-Cara, L.C.
    Design, synthesis, crystallization and biological evaluation of new symmetrical biscationic compounds as selective inhibitors of human choline kinase alpha1 (ChoKalpha1) (2016), Sci. Rep., 6, 23793.
    View publication on PubMedView publication on EuropePMC
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Cloned(Commentary)

Cloned (Comment) Organism
-
 Homo sapiens

Crystallization (Commentary)

Crystallization (Comment) Organism
sitting drop vapor diffusion method, using 20% (w/v) polyethylene glycol 3350 and 0.25 M potassium isothiocyanate Homo sapiens

Inhibitors

Inhibitors Comment Organism Structure
1,1'-(((ethane-1,2-diylbis(oxy))bis(4,1-phenylene))bis(methylene))bis(3-hydroxyquinuclidinium) bromide
-
 Homo sapiens
1,1'-(((ethane-1,2-diylbis(oxy))bis(4,1-phenylene))bis(methylene))bis(4-((4-chlorophenyl)(methyl)amino)pyridinium) bromide
-
 Homo sapiens
1,1'-(((ethane-1,2-diylbis(oxy))bis(4,1-phenylene))bis(methylene))bis(4-((4-chlorophenyl)(methyl)amino)quinolinium) bromide
-
 Homo sapiens
1,1'-(((ethane-1,2-diylbis(oxy))bis(4,1-phenylene))bis(methylene))bis(4-(azepan-1-yl)-7-chloroquinolinium) bromide
-
 Homo sapiens
1,1'-(((ethane-1,2-diylbis(oxy))bis(4,1-phenylene))bis(methylene))bis(4-(azepan-1-yl)quinolinium) bromide
-
 Homo sapiens
1,1'-(((ethane-1,2-diylbis(oxy))bis(4,1-phenylene))bis(methylene))bis(4-(dimethylamino)pyridinium) bromide
-
 Homo sapiens
1,1'-(((ethane-1,2-diylbis(oxy))bis(4,1-phenylene))bis(methylene))bis(4-(methyl(phenyl)amino)quinolinium) bromide
-
 Homo sapiens
1,1'-(((ethane-1,2-diylbis(oxy))bis(4,1-phenylene))bis(methylene))bis(4-(pyrrolidin-1-yl)pyridinium) bromide
-
 Homo sapiens
1,1'-(((ethane-1,2-diylbis(oxy))bis(4,1-phenylene))bis(methylene))bis(7-chloro-4-((4-chlorophenyl)(methyl)amino)quinolinium) bromide
-
 Homo sapiens
1,1'-(((ethane-1,2-diylbis(oxy))bis(4,1-phenylene))bis(methylene))bis(7-chloro-4-(methyl(phenyl)amino)quinolinium) bromide
-
 Homo sapiens
1,1'-(((ethane-1,2-diylbis(oxy))bis(4,1-phenylene))bis(methylene))bis(7-chloro-4-(pyrrolidin-1-yl)quinolinium) bromide
-
 Homo sapiens
1,1'-(((ethane-1,2-diylbis(oxy))bis(4,1-phenylene))bis(methylene))bis(quinuclidinium) bromide
-
 Homo sapiens
1-[(4-[4-[4-([4-[(4-chlorophenyl)(methyl)amino]pyridin-1-ium-1-yl]methyl)phenyl]butyl]phenyl)methyl]-4-(dimethylamino)pyridin-1-ium dibromide
-
 Homo sapiens
1-[4'-[(6-amino-9H-purin-9-yl)methyl][1,1'-biphenyl]-4-yl]-4-(dimethylamino)pyridin-1-ium bromide
-
 Homo sapiens
1-[[4-(4-[4-[(6-amino-9H-purin-9-yl)methyl]phenyl]butyl)phenyl]methyl]-4-(dimethylamino)pyridin-1-ium bromide
-
 Homo sapiens
4-[(4-chlorophenyl)(methyl)amino]-1-[(4'-[[4-(dimethylamino)phenyl]methyl][1,1'-biphenyl]-4-yl)methyl]pyridin-1-ium bromide
-
 Homo sapiens
HC-3
-
 Homo sapiens
MN58b
-
 Homo sapiens
RSM932A also called TCD-717 Homo sapiens

Metals/Ions

Metals/Ions Comment Organism Structure
Mg2+ required Homo sapiens

Natural Substrates/ Products (Substrates)

Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
ATP + choline Homo sapiens
-
 ADP + phosphocholine
-
 ?

Organism

Organism UniProt Comment Textmining
Homo sapiens P35790
-
-

Purification (Commentary)

Purification (Comment) Organism
-
 Homo sapiens

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
ATP + choline
-
 Homo sapiens ADP + phosphocholine
-
 ?

Synonyms

Synonyms Comment Organism
CHOKalpha1
-
 Homo sapiens
choline kinase alpha1
-
 Homo sapiens

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.00078
-
 at pH 8.5 and 37°C Homo sapiens MN58b
0.00092
-
 at pH 8.5 and 37°C Homo sapiens 1,1'-(((ethane-1,2-diylbis(oxy))bis(4,1-phenylene))bis(methylene))bis(7-chloro-4-(pyrrolidin-1-yl)quinolinium) bromide
0.001
-
 at pH 8.5 and 37°C Homo sapiens 1,1'-(((ethane-1,2-diylbis(oxy))bis(4,1-phenylene))bis(methylene))bis(4-(dimethylamino)pyridinium) bromide
0.00163
-
 at pH 8.5 and 37°C Homo sapiens 1,1'-(((ethane-1,2-diylbis(oxy))bis(4,1-phenylene))bis(methylene))bis(4-((4-chlorophenyl)(methyl)amino)pyridinium) bromide
0.00166
-
 at pH 8.5 and 37°C Homo sapiens 1,1'-(((ethane-1,2-diylbis(oxy))bis(4,1-phenylene))bis(methylene))bis(4-(azepan-1-yl)quinolinium) bromide
0.00192
-
 at pH 8.5 and 37°C Homo sapiens RSM932A
0.00202
-
 at pH 8.5 and 37°C Homo sapiens 1,1'-(((ethane-1,2-diylbis(oxy))bis(4,1-phenylene))bis(methylene))bis(4-(azepan-1-yl)-7-chloroquinolinium) bromide
0.00279
-
 at pH 8.5 and 37°C Homo sapiens 1,1'-(((ethane-1,2-diylbis(oxy))bis(4,1-phenylene))bis(methylene))bis(7-chloro-4-(methyl(phenyl)amino)quinolinium) bromide
0.00327
-
 at pH 8.5 and 37°C Homo sapiens 1,1'-(((ethane-1,2-diylbis(oxy))bis(4,1-phenylene))bis(methylene))bis(4-((4-chlorophenyl)(methyl)amino)quinolinium) bromide
0.00685
-
 at pH 8.5 and 37°C Homo sapiens 1,1'-(((ethane-1,2-diylbis(oxy))bis(4,1-phenylene))bis(methylene))bis(4-(methyl(phenyl)amino)quinolinium) bromide
0.00951
-
 at pH 8.5 and 37°C Homo sapiens 1,1'-(((ethane-1,2-diylbis(oxy))bis(4,1-phenylene))bis(methylene))bis(3-hydroxyquinuclidinium) bromide
0.00956
-
 at pH 8.5 and 37°C Homo sapiens 1,1'-(((ethane-1,2-diylbis(oxy))bis(4,1-phenylene))bis(methylene))bis(4-(pyrrolidin-1-yl)pyridinium) bromide
0.01622
-
 at pH 8.5 and 37°C Homo sapiens 1,1'-(((ethane-1,2-diylbis(oxy))bis(4,1-phenylene))bis(methylene))bis(7-chloro-4-((4-chlorophenyl)(methyl)amino)quinolinium) bromide
0.03754
-
 at pH 8.5 and 37°C Homo sapiens 1,1'-(((ethane-1,2-diylbis(oxy))bis(4,1-phenylene))bis(methylene))bis(quinuclidinium) bromide