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Information on EC 2.7.1.32 - choline kinase
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2.7.1.32 choline kinaseIUBMB Comments
Ethanolamine and its methyl and ethyl derivatives can also act as acceptors.
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Word Map
- 2.7.1.32
- phosphatidylcholine
- phospholipid
- phosphocholine
- cytidylyltransferase
- cdp-choline
- phosphorylcholine
-
ctp:phosphocholine
- phosphatidylethanolamine
-
cholinephosphotransferase
-
kennedy
- phosphatidate
- hemicholinium-3
- glycerophosphocholine
-
cholinephosphate
-
choline-containing
-
ptdcho
-
2.7.7.15
- phosphoethanolamine
-
bispyridinium
-
3hcholine
- diagnostics
-
2.7.8.2
- cdp-ethanolamine
- drug development
- pcyt1a
-
methyl-14ccholine
-
methyl-3hcholine
-
phosphatidylcholine-specific
- medicine
- biotechnology
- 1,2-diacylglycerol
The expected taxonomic range for this enzyme is: Bacteria, Eukaryota
Synonyms
ATP/choline phosphotransferase, ATP:choline phosphotransferase, CEK1, CEK2, CEK3, chbA, CHETK-alpha, CHK, chk-alpha, Chka, 
more
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SYNONYM 
ORGANISM
UNIPROT
COMMENTARY 
LITERATURE
CEK1
CEK2
CEK3
chbA
CHETK-alpha
-
-
-
-
chk-alpha
Chka
ChoK
ChoKalpha
CHOKalpha1
choline kinase
choline kinase alpha
choline kinase alpha1
choline kinase beta
choline phosphokinase
-
-
-
-
choline-ethanolamine kinase
-
-
-
-
choline/ethanolamine kinase
-
-
-
-
choline/ethanolamine kinase 1
choline/ethanolamine kinase 2
choline/ethanolamine kinase 3
CK
CK-alpha
CK-beta
CK1
CK2
CK3
CKalpha1
CKalpha2
CKbeta
ER-localized Cho kinase
EtnK
-
-
-
-
hChoK
kinase, choline (phosphorylating)
-
-
-
-
LicA
LinfC/EK35
protein LicA
sChoK
additional information
ChoK
-
-
-
-
choline kinase
-
-
LinfC/EK35
the enzyme has choline kinase and ethanolamine kinase activities
LinfC/EK35
the enzyme has choline kinase and ethanolamine kinase activities
-
additional information
-
at least four genes encoding active choline kinase
additional information
two subtypes identified which are named alpha and beta (ChoKalpha and ChoKbeta), alpha subtype displays two splicing variants names alpha1 and alpha2
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REACTION
REACTION DIAGRAM
COMMENTARY
ORGANISM
UNIPROT
LITERATURE
ATP + choline = ADP + phosphocholine
choline kinase and ethanolamine kinase are 2 distinct enzymes
-
ATP + choline = ADP + phosphocholine
choline kinase and ethanolamine kinase are 2 distinct enzymes
-
ATP + choline = ADP + phosphocholine
choline kinase and ethanolamine kinase are 2 distinct enzymes
-
ATP + choline = ADP + phosphocholine
choline kinase and ethanolamine kinase are 2 distinct enzymes
-
ATP + choline = ADP + phosphocholine
choline kinase and ethanolamine kinase are 2 distinct enzymes
-
ATP + choline = ADP + phosphocholine
choline kinase and ethanolamine kinase are 2 distinct enzymes
-
ATP + choline = ADP + phosphocholine
choline kinase and ethanolamine kinase are 2 distinct enzymes
-
ATP + choline = ADP + phosphocholine
choline kinase and ethanolamine kinase are 2 distinct enzymes
-
ATP + choline = ADP + phosphocholine
choline kinase and ethanolamine kinase are 2 distinct enzymes
-
ATP + choline = ADP + phosphocholine
forward reaction: ordered mechanism with MgATP2- binding first, followed by choline
-
ATP + choline = ADP + phosphocholine
ethanolamine kinase II and choline kinase do not use a common active site
-
ATP + choline = ADP + phosphocholine
forward reaction follows a sequentially ordered mechanism
-
ATP + choline = ADP + phosphocholine
choline kinase and ethanolamine kinase may not have a common active site in a single enzyme protein
-
ATP + choline = ADP + phosphocholine
choline kinase and ethanolamine kinase activities are mediated by 2 distinct active sites, possibly on a single protein
-
ATP + choline = ADP + phosphocholine
choline kinase and ethanolamine kinase are identical
-
ATP + choline = ADP + phosphocholine
ethanolamine and its methyl and ethyl derivatives can also act as acceptors
-
-
-
ATP + choline = ADP + phosphocholine
choline kinase and ethanolamine kinase activities reside on the same protein and occur at the same active site
-
ATP + choline = ADP + phosphocholine
choline kinase and ethanolamine kinase activities reside on the same protein and occur at the same active site
-
ATP + choline = ADP + phosphocholine
reaction mechanism of choline kinase alpha, overview
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REACTION TYPE
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
phospho group transfer
-
-
-
-
Phosphorylation
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PATHWAY SOURCE
PATHWAYS
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SYSTEMATIC NAME
IUBMB Comments
ATP:choline phosphotransferase
Ethanolamine and its methyl and ethyl derivatives can also act as acceptors.
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CAS REGISTRY NUMBER
COMMENTARY
9026-67-9
-
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SUBSTRATE
PRODUCT
REACTION DIAGRAM
ORGANISM
UNIPROT
COMMENTARY
(Substrate)
(Substrate)
LITERATURE
(Substrate)
(Substrate)
COMMENTARY
(Product)
(Product)
LITERATURE
(Product)
(Product)
Reversibility
r=reversible
ir=irreversible
?=not specified
r=reversible
ir=irreversible
?=not specified
2-methylaminoethanol + ATP
ADP + 2-methylaminoethyl phosphate
-
-
-
-
?
beta-methylcholine + ATP
ADP + beta-methylcholine phosphate
-
-
-
-
?
ethanolamine + ATP
O-phosphoethanolamine + ADP
-
first step in the biosynthesis of the glycerophospholipid glycerophosphoethanolamine
-
-
?
N,N,N-triethylethanolamine + ATP
ADP + N,N,N-triethylethanolamine phosphate
-
weak
-
-
?
N,N-diethyl-N-methylethanolamine + ATP
ADP + N,N-diethyl-N-methylethanolamine phosphate
-
weak
-
-
?
N,N-diethylethanolamine + ATP
ADP + O-phospho-N-diethylethanolamine
-
-
-
-
?
N,N-diisopropylethanolamine + ATP
ADP + N,N-diisopropylethanolamine phosphate
-
-
-
-
?
N,N-dimethyl-N-propylethanolamine + ATP
ADP + N,N-dimethyl-N-propylethanolamine phosphate
-
-
-
-
?
N,N-dimethylaminopropanol + ATP
ADP + N,N-dimethylaminopropyl phosphate
-
-
-
-
?
N,N-dimethylethanolamine + ATP
ADP + O-phospho-N,N-dimethylethanolamine
-
-
-
-
?
N,N-dimethylethylcholine + ATP
ADP + N,N-dimethylethylcholine phosphate
-
-
-
-
?
N,N-dimethylisopropylcholine + ATP
ADP + N,N-dimethylisopropylcholine phosphate
-
-
-
-
?
N,N-dimethylpropylcholine + ATP
ADP + N,N-dimethylpropylcholine phosphate
-
-
-
-
?
N-monoethylethanolamine + ATP
ADP + N-monoethylethanolamine phosphate
-
-
-
-
?
2-(dimethylamino)-ethanol + ATP
ADP + 2-(dimethylamino)-ethyl phosphate
-
-
-
-
?
2-(dimethylamino)-ethanol + ATP
ADP + 2-(dimethylamino)-ethyl phosphate
-
-
-
-
?
ATP + choline
ADP + O-phosphocholine
-
initial step of the Kennedy pathway, that yields phosphatidylcholine as final product, increased activity under salt stress and cold conditions
-
-
?
ATP + choline
ADP + O-phosphocholine
-
-
-
-
?
ATP + choline
ADP + O-phosphocholine
-
initial step of the CDP-choline pathway, that yields phosphatidylcholine as final product, involved in mitogenic signaling transduction
-
-
?
ATP + choline
ADP + O-phosphocholine
-
-
-
-
?
ATP + choline
ADP + O-phosphocholine
-
initial enzyme of the CDP-choline pathway and the CDP-ethanolamine pathway
-
-
?
ATP + choline
ADP + O-phosphocholine
-
choline pathway or CDP-ethanolamine pathway is so-called Kennedy pathway
-
-
?
ATP + choline
ADP + O-phosphocholine
-
initial step of the CDP-choline pathway, that yields phosphatidylcholine as final product, involved in mitogenic signaling transduction, possible role in carcinogenesis
-
-
?
ATP + choline
ADP + O-phosphocholine
initial step of the Kennedy pathway, that yields phosphatidylcholine as final product, involved in mitogenic signaling transduction, the product O-phosphocholine serves as second messenger and is essential for cell growth, enzyme plays a role in tumor generation
-
-
?
ATP + choline
ADP + O-phosphocholine
the catalytic efficiency (Vmax/Km) using choline as substrate is 2000fold greater than the efficiency using ethanolamine as substrate
-
-
?
ATP + choline
ADP + O-phosphocholine
the catalytic efficiency (Vmax/Km) using choline as substrate is 2000fold greater than the efficiency using ethanolamine as substrate
-
-
?
ATP + choline
ADP + O-phosphocholine
-
initial step of the CDP-choline pathway, that yields phosphatidylcholine as final product, involved in mitogenic signaling transduction, involved in cell stress response
-
-
?
ATP + choline
ADP + O-phosphocholine
initial step of the Kennedy pathway, that yields phosphatidylcholine as final product, involved in mitogenic signaling transduction
-
-
?
ATP + choline
ADP + O-phosphocholine
-
enzyme of the CDP-choline pathway of lecithin biosynthesis
-
-
?
ATP + choline
ADP + O-phosphocholine
-
-
641347, 641348, 641349, 641352, 641359, 641360, 641366, 641368, 641370, 641371, 641372, 663274, 673201
-
-
?
ATP + choline
ADP + O-phosphocholine
-
initial enzyme of the CDP-choline pathway and the CDP-ethanolamine pathway
-
-
?
ATP + choline
ADP + O-phosphocholine
-
choline pathway or CDP-ethanolamine pathway is so-called Kennedy pathway
-
-
?
ATP + choline
ADP + O-phosphocholine
-
enzyme of the CDP-choline pathway of lecithin biosynthesis
-
?
ATP + choline
ADP + O-phosphocholine
-
initial step of the CDP-choline pathway, that yields phosphatidylcholine as final product, involved in mitogenic signaling transduction and cell stress regulation
-
-
?
ATP + choline
ADP + O-phosphocholine
-
-
-
-
?
ATP + choline
ADP + O-phosphocholine
-
initial enzyme of the CDP-choline pathway and the CDP-ethanolamine pathway
-
-
?
ATP + choline
ADP + O-phosphocholine
-
initial step of the CDP-choline pathway, that yields phosphatidylcholine as final product, involved in mitogenic signaling transduction
-
-
?
ATP + choline
ADP + phosphocholine
transfer of the gamma-phosphoryl group of ATP
-
-
?
ATP + choline
ADP + phosphocholine
-
-
-
?
ATP + ethanolamine
ADP + ethanolamine phosphate
-
poor substrate compared to choline
-
-
?
ATP + ethanolamine
ADP + ethanolamine phosphate
-
can not phosphorylate ethanolamine efficiently
-
-
?
ATP + ethanolamine
ADP + ethanolamine phosphate
-
poor substrate compared to choline
-
-
?
choline + ATP
O-phosphocholine + ADP
-
first step in the biosynthesis of the glycerophospholipid glycerophosphocholine
-
-
?
choline + ATP
phosphocholine + ADP
-
catalyzes the first phosphorylation reaction in the Kennedy pathway (biosynthesis of the major membrane phospholipid phosphatidylcholine)
-
-
?
choline + ATP
phosphocholine + ADP
first enzyme in the CDP-choline (Kennedy) pathway for the biosynthesis of phosphatidylcholine
choline kinase supply phosphocholine for the biosynthesis of phosphatidylcholine that is essential for growth and cell division
-
?
choline + ATP
phosphocholine + ADP
-
choline kinase may have a regulatory role in phosphatidylcholine biosynthesis
-
-
?
choline + ATP
phosphocholine + ADP
-
The induction of CKI1 expression in zinc-depleted cells translated into increased choline kinase activity in vitro and in vivo and in an increase in phosphatidylcholine synthesis via the Kennedy pathway
-
-
?
ethanolamine + ATP
ADP + ethanolamine phosphate
-
-
-
-
?
GTP + choline
GDP + choline phosphate
-
at 50% of the activity with ATP
-
-
?
GTP + choline
GDP + choline phosphate
-
at 50% of the activity with ATP
-
-
?
N,N-diethylethanolamine + ATP
ADP + N,N-diethylethanolamine phosphate
-
-
-
-
?
N,N-diethylethanolamine + ATP
ADP + N,N-diethylethanolamine phosphate
-
-
-
-
?
N,N-dimethylethanolamine + ATP
ADP + N,N-dimethylethanolamine phosphate
-
-
-
-
?
N,N-dimethylethanolamine + ATP
ADP + N,N-dimethylethanolamine phosphate
-
not: basic isoform
-
-
?
N,N-dimethylethanolamine + ATP
ADP + N,N-dimethylethanolamine phosphate
-
-
-
-
?
N-methylethanolamine + ATP
ADP + N-methylethanolamine phosphate
-
-
-
-
?
N-methylethanolamine + ATP
ADP + N-methylethanolamine phosphate
-
not: basic isoform
-
-
?
N-monomethylethanolamine + ATP
ADP + N-monomethylethanolamine phosphate
-
-
-
-
?
N-monomethylethanolamine + ATP
ADP + N-monomethylethanolamine phosphate
-
-
-
-
?
UTP + choline
UDP + choline phosphate
-
at 20% of the activity with ATP
-
-
?
UTP + choline
UDP + choline phosphate
-
at 20% of the activity with ATP
-
-
?
additional information
?
-
detection via quantitative TLC
-
-
-
additional information
?
-
detection via quantitative TLC
-
-
-
additional information
?
-
detection via quantitative TLC
-
-
-
additional information
?
-
-
microarray analysis detected changes in the expression of 33 proliferation-related genes with Chk down-regulation
-
-
?
additional information
?
-
usage of a coupled assay method with pyruvate kinase, and lactate dehydrogenase, at pH 7.5 and 37°C
-
-
-
additional information
?
-
-
usage of a coupled assay method with pyruvate kinase, and lactate dehydrogenase, at pH 7.5 and 37°C
-
-
-
additional information
?
-
-
Further substrate specificity analysis reveals that TbC/EK2 are able to tolerate various modifications at the amino group, with the exception of a quaternary amine for TbEK1 (choline). The enzyme recognizes analogues with substituents on C-2, but substitutions on C-1 and elongations of the carbon chain are not well tolerate. Secondary and tertiary amino modifications are better than choline. A reduction of activity is seen with the elongation of the carbon chain, but it is not abolished even when increased by an ethylene unit. Modifications at the hydroxy group result in no detectable reactivity.
-
-
?
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NATURAL SUBSTRATE
NATURAL PRODUCT
REACTION DIAGRAM
ORGANISM
UNIPROT
COMMENTARY
(Substrate)
(Substrate)
LITERATURE
(Substrate)
(Substrate)
COMMENTARY
(Product)
(Product)
LITERATURE
(Product)
(Product)
REVERSIBILITY
r=reversible
ir=irreversible
?=not specified
r=reversible
ir=irreversible
?=not specified
choline + ATP
O-phosphocholine + ADP
-
first step in the biosynthesis of the glycerophospholipid glycerophosphocholine
-
-
?
ethanolamine + ATP
O-phosphoethanolamine + ADP
-
first step in the biosynthesis of the glycerophospholipid glycerophosphoethanolamine
-
-
?
additional information
?
-
-
microarray analysis detected changes in the expression of 33 proliferation-related genes with Chk down-regulation
-
-
?
ATP + choline
ADP + O-phosphocholine
-
initial step of the Kennedy pathway, that yields phosphatidylcholine as final product, increased activity under salt stress and cold conditions
-
-
?
ATP + choline
ADP + O-phosphocholine
-
initial step of the CDP-choline pathway, that yields phosphatidylcholine as final product, involved in mitogenic signaling transduction
-
-
?
ATP + choline
ADP + O-phosphocholine
-
initial enzyme of the CDP-choline pathway and the CDP-ethanolamine pathway
-
-
?
ATP + choline
ADP + O-phosphocholine
-
choline pathway or CDP-ethanolamine pathway is so-called Kennedy pathway
-
-
?
ATP + choline
ADP + O-phosphocholine
-
initial step of the CDP-choline pathway, that yields phosphatidylcholine as final product, involved in mitogenic signaling transduction, possible role in carcinogenesis
-
-
?
ATP + choline
ADP + O-phosphocholine
initial step of the Kennedy pathway, that yields phosphatidylcholine as final product, involved in mitogenic signaling transduction, the product O-phosphocholine serves as second messenger and is essential for cell growth, enzyme plays a role in tumor generation
-
-
?
ATP + choline
ADP + O-phosphocholine
-
initial step of the CDP-choline pathway, that yields phosphatidylcholine as final product, involved in mitogenic signaling transduction, involved in cell stress response
-
-
?
ATP + choline
ADP + O-phosphocholine
initial step of the Kennedy pathway, that yields phosphatidylcholine as final product, involved in mitogenic signaling transduction
-
-
?
ATP + choline
ADP + O-phosphocholine
-
enzyme of the CDP-choline pathway of lecithin biosynthesis
-
-
?
ATP + choline
ADP + O-phosphocholine
-
initial enzyme of the CDP-choline pathway and the CDP-ethanolamine pathway
-
-
?
ATP + choline
ADP + O-phosphocholine
-
choline pathway or CDP-ethanolamine pathway is so-called Kennedy pathway
-
-
?
ATP + choline
ADP + O-phosphocholine
-
enzyme of the CDP-choline pathway of lecithin biosynthesis
-
?
ATP + choline
ADP + O-phosphocholine
-
initial step of the CDP-choline pathway, that yields phosphatidylcholine as final product, involved in mitogenic signaling transduction and cell stress regulation
-
-
?
ATP + choline
ADP + O-phosphocholine
-
initial enzyme of the CDP-choline pathway and the CDP-ethanolamine pathway
-
-
?
ATP + choline
ADP + O-phosphocholine
-
initial step of the CDP-choline pathway, that yields phosphatidylcholine as final product, involved in mitogenic signaling transduction
-
-
?
ATP + choline
ADP + phosphocholine
-
-
-
?
choline + ATP
phosphocholine + ADP
-
catalyzes the first phosphorylation reaction in the Kennedy pathway (biosynthesis of the major membrane phospholipid phosphatidylcholine)
-
-
?
choline + ATP
phosphocholine + ADP
first enzyme in the CDP-choline (Kennedy) pathway for the biosynthesis of phosphatidylcholine
choline kinase supply phosphocholine for the biosynthesis of phosphatidylcholine that is essential for growth and cell division
-
?
choline + ATP
phosphocholine + ADP
-
choline kinase may have a regulatory role in phosphatidylcholine biosynthesis
-
-
?
choline + ATP
phosphocholine + ADP
-
The induction of CKI1 expression in zinc-depleted cells translated into increased choline kinase activity in vitro and in vivo and in an increase in phosphatidylcholine synthesis via the Kennedy pathway
-
-
?
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COFACTOR
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
IMAGE
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METALS and IONS
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
Ca2+
K+
Mg2+
Mn2+
Na+
additional information
Mg2+
required, enzyme binding structure analysis. The ADP molecule also participates in the coordination of two magnesium ions
Mg2+
-
ATP concentration 1.25-2.5 mM: reaction requires free Mg2+ rather than MgATP2-, ATP concentration exceeding that of Mg2+: strong inhibition
Mg2+
-
Km MgATP2-: 10 mM, in presence of equimolar amounts of ATP and Mg2+, Km MgATP2-: 1.5 mM, in 2.5 fold higher concentration of Mg2+ than ATP
additional information
-
Co2+, Cd2+: almost completely ineffective, Ca2+, Ni2+, Zn2+: totally ineffective
additional information
-
Co2+, Cd2+: almost completely ineffective, Ca2+, Ni2+, Zn2+: totally ineffective
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INHIBITOR
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
IMAGE
(1S)-1-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-[2-[(oxan-4-yl)oxy]phenyl]-1-phenylpropan-1-ol
(4-methyl-1,4-diazepan-1-yl)(4'-((4-methyl-1,4-diazepan-1-yl)-methyl)-[1,1'-biphenyl]-4-yl)methanone
1,1',1''-(benzene-1,3,5-triylmethylene)tris[(4-dimethylamino)pyridinium] tribromide
-
1,1',1''-(benzene-1,3,5-triylmethylene)tris[4-(3,5-dichloro-N-methylanilino)pyridinium] tribromide
-
1,1',1''-(benzene-1,3,5-triylmethylene)tris[4-(4-chloro-N-methylanilino)pyridinium] tribromide
-
1,1',1''-(benzene-1,3,5-triylmethylene)tris[4-(N-methylanilino)pyridinium] tribromide
-
1,1',1''-(benzene-1,3,5-triylmethylene)tris[4-(piperidino)pyridinium] tribromide
-
1,1',1''-(benzene-1,3,5-triylmethylene)tris[4-(pyrrolidino)pyridinium] tribromide
-
1,1'-(((ethane-1,2-diylbis(oxy))bis(4,1-phenylene))bis(methylene))bis(3-hydroxyquinuclidinium) bromide
-
1,1'-(((ethane-1,2-diylbis(oxy))bis(4,1-phenylene))bis(methylene))bis(4-((4-chlorophenyl)(methyl)amino)pyridinium) bromide
-
1,1'-(((ethane-1,2-diylbis(oxy))bis(4,1-phenylene))bis(methylene))bis(4-((4-chlorophenyl)(methyl)amino)quinolinium) bromide
-
1,1'-(((ethane-1,2-diylbis(oxy))bis(4,1-phenylene))bis(methylene))bis(4-(azepan-1-yl)-7-chloroquinolinium) bromide
-
1,1'-(((ethane-1,2-diylbis(oxy))bis(4,1-phenylene))bis(methylene))bis(4-(azepan-1-yl)quinolinium) bromide
-
1,1'-(((ethane-1,2-diylbis(oxy))bis(4,1-phenylene))bis(methylene))bis(4-(dimethylamino)pyridinium) bromide
-
1,1'-(((ethane-1,2-diylbis(oxy))bis(4,1-phenylene))bis(methylene))bis(4-(methyl(phenyl)amino)quinolinium) bromide
-
1,1'-(((ethane-1,2-diylbis(oxy))bis(4,1-phenylene))bis(methylene))bis(4-(pyrrolidin-1-yl)pyridinium) bromide
-
1,1'-(((ethane-1,2-diylbis(oxy))bis(4,1-phenylene))bis(methylene))bis(7-chloro-4-((4-chlorophenyl)(methyl)amino)quinolinium) bromide
-
1,1'-(((ethane-1,2-diylbis(oxy))bis(4,1-phenylene))bis(methylene))bis(7-chloro-4-(methyl(phenyl)amino)quinolinium) bromide
-
1,1'-(((ethane-1,2-diylbis(oxy))bis(4,1-phenylene))bis(methylene))bis(7-chloro-4-(pyrrolidin-1-yl)quinolinium) bromide
-
1,1'-(((ethane-1,2-diylbis(oxy))bis(4,1-phenylene))bis(methylene))bis(quinuclidinium) bromide
-
1,1'-(benzene-1,3-diyldimethanediyl)bis(4-piperidin-1-ylpyridinium) dibromide
-
IC50: 0.0528 mM
1,1'-(benzene-1,3-diyldimethanediyl)bis(4-pyrrolidin-1-ylpyridinium) dibromide
-
IC50: 0.0842 mM
1,1'-(benzene-1,3-diyldimethanediyl)bis(4-[[(3,5-dichlorophenyl)amino]methyl]pyridinium) dibromide
-
IC50: 0.0084 mM
1,1'-(benzene-1,3-diyldimethanediyl)bis(4-[[(4-chlorophenyl)amino]methyl]pyridinium) dibromide
-
IC50: 0.0072 mM
1,1'-(benzene-1,3-diyldimethanediyl)bis[4-[(phenylamino)methyl]pyridinium] dibromide
-
IC50: 0.0375 mM
1,1'-(benzene-1,3-diylmethylene)bis[(4-dimethylamino)pyridinium] dibromide
-
1,1'-(benzene-1,3-diylmethylene)bis[4-(N-methylanilino)pyridinium] dibromide
-
1,1'-(benzene-1,3-diylmethylene)bis[4-(piperidino)pyridinium] dibromide
-
1,1'-(benzene-1,3-diylmethylene)bis[4-(pyrrolidino)pyridinium] dibromide
-
1,1'-(benzene-1,4-diyldimethanediyl)bis(4-piperidin-1-ylpyridinium) dibromide
-
IC50: 0.0377 mM
1,1'-(benzene-1,4-diyldimethanediyl)bis(4-pyrrolidin-1-ylpyridinium) dibromide
-
IC50: 0.024 mM
1,1'-(benzene-1,4-diyldimethanediyl)bis(4-[[(3,5-dichlorophenyl)amino]methyl]pyridinium) dibromide
-
IC50: 0.0097 mM
1,1'-(benzene-1,4-diyldimethanediyl)bis(4-[[(4-chlorophenyl)amino]methyl]pyridinium) dibromide
-
IC50: 0.0029 mM
1,1'-(benzene-1,4-diyldimethanediyl)bis[4-[(phenylamino)methyl]pyridinium] dibromide
-
IC50: 0.015 mM
1,1'-(biphenyl-3,3'-diyldimethanediyl)bis(4-amino-3-methylquinolinium) dibromide
-
IC50: 0.0119 mM
1,1'-(biphenyl-3,3'-diyldimethanediyl)bis(4-amino-7-chloroquinolinium) dibromide
-
IC50: 0.0206 mM
1,1'-(biphenyl-3,3'-diyldimethanediyl)bis(4-aminoquinolinium) dibromide
-
IC50: 0.0012 mM
1,1'-(biphenyl-3,3'-diyldimethanediyl)bis(4-azepan-1-ylquinolinium) dibromide
-
IC50: 0.0005 mM
1,1'-(biphenyl-3,3'-diyldimethanediyl)bis(4-piperidin-1-ylpyridinium) dibromide
-
IC50: 0.0019 mM
1,1'-(biphenyl-3,3'-diyldimethanediyl)bis(4-pyrrolidin-1-ylpyridinium) dibromide
-
IC50: 0.0058 mM
1,1'-(biphenyl-3,3'-diyldimethanediyl)bis(4-[[(3,5-dichlorophenyl)amino]methyl]pyridinium) dibromide
-
IC50: 0.0026 mM
1,1'-(biphenyl-3,3'-diyldimethanediyl)bis(4-[[(4-chlorophenyl)amino]methyl]pyridinium) dibromide
-
IC50: 0.0015 mM
1,1'-(biphenyl-3,3'-diyldimethanediyl)bis(4-[[(4-chlorophenyl)amino]methyl]quinolinium) dibromide
-
IC50: 0.0021 mM
1,1'-(biphenyl-3,3'-diyldimethanediyl)bis(7-amino-4-[[(4-chlorophenyl)amino]methyl]-8-methylquinolinium) dibromide
-
IC50: 0.147 mM
1,1'-(biphenyl-3,3'-diyldimethanediyl)bis(7-chloro-4-pyrrolidin-1-ylquinolinium) dibromide
-
IC50: 0.0012 mM
1,1'-(biphenyl-3,3'-diyldimethanediyl)bis(7-chloro-4-[[(4-chlorophenyl)amino]methyl]quinolinium) dibromide
-
IC50: 0.0057 mM
1,1'-(biphenyl-3,3'-diyldimethanediyl)bis[4-(dimethylamino)quinolinium] dibromide
-
IC50: 0.0044 mM
1,1'-(biphenyl-3,3'-diyldimethanediyl)bis[4-(phenylamino)quinolinium] dibromide
-
IC50: 0.0013 mM
1,1'-(biphenyl-3,3'-diyldimethanediyl)bis[4-[(phenylamino)methyl]pyridinium] dibromide
-
IC50: 0.00043 mM
1,1'-(biphenyl-3,3'-diyldimethanediyl)bis[4-[(phenylamino)methyl]quinolinium] dibromide
-
IC50: 0.0004 mM
1,1'-(biphenyl-3,3'-diyldimethanediyl)bis[7-amino-8-methyl-4-[(phenylamino)methyl]quinolinium] dibromide
-
IC50: 0.0568 mM
1,1'-(biphenyl-3,3'-diyldimethanediyl)bis[7-chloro-4-(dimethylamino)quinolinium] dibromide
-
IC50: 0.0096 mM
1,1'-(biphenyl-3,3'-diyldimethanediyl)bis[7-chloro-4-[(phenylamino)methyl]quinolinium] dibromide
-
IC50: 0.0031 mM
1,1'-(biphenyl-4,4'-diyldimethanediyl)bis(4-amino-3-methylquinolinium) dibromide
-
IC50: above 0.2 mM
1,1'-(biphenyl-4,4'-diyldimethanediyl)bis(4-amino-7-chloroquinolinium) dibromide
-
IC50: 0.0633 mM
1,1'-(biphenyl-4,4'-diyldimethanediyl)bis(4-aminoquinolinium) dibromide
-
IC50: 0.0811 mM
1,1'-(biphenyl-4,4'-diyldimethanediyl)bis(4-azepan-1-ylquinolinium) dibromide
-
IC50: 0.0022 mM
1,1'-(biphenyl-4,4'-diyldimethanediyl)bis(4-piperidin-1-ylpyridinium) dibromide
-
IC50: 0.0088 mM
1,1'-(biphenyl-4,4'-diyldimethanediyl)bis(4-pyrrolidin-1-ylpyridinium) dibromide
-
IC50: 0.0111 mM
1,1'-(biphenyl-4,4'-diyldimethanediyl)bis(4-[[(3,5-dichlorophenyl)amino]methyl]pyridinium) dibromide
-
IC50: 0.0034 mM
1,1'-(biphenyl-4,4'-diyldimethanediyl)bis(4-[[(4-chlorophenyl)amino]methyl]pyridinium) dibromide
-
IC50: 0.0018 mM
1,1'-(biphenyl-4,4'-diyldimethanediyl)bis(4-[[(4-chlorophenyl)amino]methyl]quinolinium) dibromide
-
IC50: 0.002 mM
1,1'-(biphenyl-4,4'-diyldimethanediyl)bis(7-amino-4-[[(4-chlorophenyl)amino]methyl]-8-methylquinolinium) dibromide
-
IC50: 0.0461 mM
1,1'-(biphenyl-4,4'-diyldimethanediyl)bis(7-chloro-4-pyrrolidin-1-ylquinolinium) dibromide
-
IC50: 0.0198 mM
1,1'-(biphenyl-4,4'-diyldimethanediyl)bis(7-chloro-4-[[(4-chlorophenyl)amino]methyl]quinolinium) dibromide
-
IC50: 0.0114 mM
1,1'-(biphenyl-4,4'-diyldimethanediyl)bis[4-(dimethylamino)quinolinium] dibromide
-
IC50: 0.0397 mM
1,1'-(biphenyl-4,4'-diyldimethanediyl)bis[4-(phenylamino)quinolinium] dibromide
-
IC50: 0.0178 mM
1,1'-(biphenyl-4,4'-diyldimethanediyl)bis[4-[(phenylamino)methyl]pyridinium] dibromide
-
IC50: 0.0043 mM
1,1'-(biphenyl-4,4'-diyldimethanediyl)bis[4-[(phenylamino)methyl]quinolinium] dibromide
-
IC50: 0.003 mM
1,1'-(biphenyl-4,4'-diyldimethanediyl)bis[7-amino-8-methyl-4-[(phenylamino)methyl]quinolinium] dibromide
-
IC50: 0.0961 mM
1,1'-(biphenyl-4,4'-diyldimethanediyl)bis[7-chloro-4-(dimethylamino)quinolinium] dibromide
-
IC50: 0.0206 mM
1,1'-(biphenyl-4,4'-diyldimethanediyl)bis[7-chloro-4-[(phenylamino)methyl]quinolinium] dibromide
-
IC50: 0.0114 mM
1,1'-(ethane-1,2-diyldibenzene-4,1-diyl)bis[4-(dimethylamino)quinolinium]
-
1,1'-(ethane-1,2-diyldibenzene-4,1-diyl)bis[4-(phenylamino)quinolinium]
-
1,1'-(ethane-1,2-diyldibenzene-4,1-diyl)bis[4-[(4-chlorophenyl)(methyl)amino]quinolinium]
-
1,1'-(ethane-1,2-diyldibenzene-4,1-diyl)bis[4-[methyl(phenyl)amino]quinolinium]
-
1,1'-(ethane-1,2-diyldibenzene-4,1-diyl)bis[7-amino-4-[(4-chlorophenyl)(methyl)amino]-8-methylquinolinium]
-
1,1'-(ethane-1,2-diyldibenzene-4,1-diyl)bis[7-amino-8-methyl-4-[methyl(phenyl)amino]quinolinium]
-
1,1'-(ethane-1,2-diyldibenzene-4,1-diyl)bis[7-chloro-4-(dimethylamino)quinolinium]
-
1,1'-(ethane-1,2-diyldibenzene-4,1-diyl)bis[7-chloro-4-[(4-chlorophenyl)(methyl)amino]quinolinium]
-
1,1'-(ethane-1,2-diyldibenzene-4,1-diyl)bis[7-chloro-4-[methyl(phenyl)amino]quinolinium]
-
1,1'-biphenyl-3,3'-diylbis[4-[(4-chlorophenyl)(methyl)amino]quinolinium]
-
1,1'-biphenyl-3,3'-diylbis[7-amino-4-[(4-chlorophenyl)(methyl)amino]-8-methylquinolinium]
-
1,1'-biphenyl-3,3'-diylbis[7-amino-8-methyl-4-[methyl(phenyl)amino]quinolinium]
-
1,1'-biphenyl-3,3'-diylbis[7-chloro-4-[(4-chlorophenyl)(methyl)amino]quinolinium]
-
1,1'-biphenyl-3,3'-diylbis[7-chloro-4-[methyl(phenyl)amino]quinolinium]
-
1,1'-biphenyl-4,4'-diylbis[4-[(4-chlorophenyl)(methyl)amino]quinolinium]
-
1,1'-biphenyl-4,4'-diylbis[7-amino-4-[(4-chlorophenyl)(methyl)amino]-8-methylquinolinium]
-
1,1'-biphenyl-4,4'-diylbis[7-amino-8-methyl-4-[methyl(phenyl)amino]quinolinium]
-
1,1'-biphenyl-4,4'-diylbis[7-chloro-4-[(4-chlorophenyl)(methyl)amino]quinolinium]
-
1,1'-biphenyl-4,4'-diylbis[7-chloro-4-[methyl(phenyl)amino]quinolinium]
-
1,1'-[(1S,2S)-cyclopropane-1,2-diyldiethane-2,1-diyl]bis(4-piperidin-1-ylpyridinium) dibromide
-
IC50: 0.098 mM
1,1'-[(1S,2S)-cyclopropane-1,2-diyldiethane-2,1-diyl]bis(4-pyrrolidin-1-ylpyridinium) dibromide
-
IC50: above 0.1 mM
1,1'-[(1S,2S)-cyclopropane-1,2-diyldiethane-2,1-diyl]bis(4-[[(3,5-dichlorophenyl)amino]methyl]pyridinium) dibromide
-
IC50: 0.0482 mM; IC50: above 0.1 mM
1,1'-[(1S,2S)-cyclopropane-1,2-diyldiethane-2,1-diyl]bis[4-[(phenylamino)methyl]pyridinium] dibromide
-
IC50: above 0.1 mM
1,1'-[ethane-1,2-diylbis(benzene-4,1-diylmethanediyl)]bis(4-amino-7-chloroquinolinium) dibromide
-
IC50: above 0.2 mM
1,1'-[ethane-1,2-diylbis(benzene-4,1-diylmethanediyl)]bis(4-aminoquinolinium) dibromide
-
IC50: 0.08 mM
1,1'-[ethane-1,2-diylbis(benzene-4,1-diylmethanediyl)]bis(4-azepan-1-ylquinolinium) dibromide
-
IC50: 0.006 mM
1,1'-[ethane-1,2-diylbis(benzene-4,1-diylmethanediyl)]bis(4-[[(4-chlorophenyl)amino]methyl]quinolinium) dibromide
-
IC50: 0.0048 mM
1,1'-[ethane-1,2-diylbis(benzene-4,1-diylmethanediyl)]bis(7-amino-4-[[(4-chlorophenyl)amino]methyl]-8-methylquinolinium) dibromide
-
IC50: 0.0575 mM
1,1'-[ethane-1,2-diylbis(benzene-4,1-diylmethanediyl)]bis(7-chloro-4-pyrrolidin-1-ylquinolinium) dibromide
-
IC50: 0.001 mM
1,1'-[ethane-1,2-diylbis(benzene-4,1-diylmethanediyl)]bis(7-chloro-4-[[(4-chlorophenyl)amino]methyl]quinolinium) dibromide
-
IC50: 0.0057 mM
1,1'-[ethane-1,2-diylbis(benzene-4,1-diylmethanediyl)]bis[4-(dimethylamino)quinolinium] dibromide
-
IC50: 0.0102 mM
1,1'-[ethane-1,2-diylbis(benzene-4,1-diylmethanediyl)]bis[4-(phenylamino)quinolinium] dibromide
-
IC50: 0.0023 mM
1,1'-[ethane-1,2-diylbis(benzene-4,1-diylmethanediyl)]bis[4-[(phenylamino)methyl]quinolinium] dibromide
-
IC50: 0.0014 mM
1,1'-[ethane-1,2-diylbis(benzene-4,1-diylmethanediyl)]bis[7-amino-8-methyl-4-[(phenylamino)methyl]quinolinium] dibromide
-
IC50: 0.133 mM
1,1'-[ethane-1,2-diylbis(benzene-4,1-diylmethanediyl)]bis[7-chloro-4-(dimethylamino)quinolinium] dibromide
-
IC50: 0.009 mM
1,1'-[ethane-1,2-diylbis(benzene-4,1-diylmethanediyl)]bis[7-chloro-4-[(phenylamino)methyl]quinolinium] dibromide
-
IC50: 0.0035 mM
1,1'-[[1,1'-biphenyl]-4,4'-diylbis(methylene)]bis[4-[(4-chlorophenyl)(methyl)amino]quinolin-1-ium]
1-(4-(4-[(3-aminophenoxy)methyl]phenethyl)benzyl)-4-(dimethylamino)pyridinium bromide
21.9% inhibition at 0.05 mM
1-(4-[4-[(3-hydroxyphenylamino)methyl]phenethyl]-benzyl)-4-(pyrrolidin-1-yl)pyridinium bromide
13.6% inhibition at 0.05 mM
1-(4-[4-[(6-amino-3H-purin-3-yl)methyl]phenethyl]benzyl)-4-pyrrolidinopyridinium bromide
0.1% inhibition at 0.01 mM, 24.8% inhibition at 0.05 mM
1-(4-[4-[(6-amino-3H-purin-3-yl)methyl]phenyl]benzyl)-4-(dimethylamino)pyridinium bromide
62.3% inhibition at 0.01 mM, 71.4% inhibition at 0.05 mM
1-(4-[4-[(6-amino-9H-purin-9-yl)methyl]phenethyl]benzyl)-4-(dimethylamino)pyridinium bromide
38.6% inhibition at 0.01 mM, 81% inhibition at 0.05 mM
1-(4-[4-[(6-amino-9H-purin-9-yl)methyl]phenethyl]benzyl)-4-pyrrolidinopyridinium bromide
28.6% inhibition at 0.01 mM, 46.9% inhibition at 0.05 mM
1-(4-[4-[(6-amino-9H-purin-9-yl)methyl]phenyl]benzyl)-4-(dimethylamino)pyridinium bromide
37.6% inhibition at 0.01 mM, 51% inhibition at 0.05 mM
1-(4-[4-[(6-amino-9H-purin-9-yl)methyl]phenyl]benzyl)-4-pyrrolidinopyridinium bromide
50.2% inhibition at 0.01 mM, 72.8% inhibition at 0.05 mM
1-([4'-[(3-aminophenoxy)methyl]biphenyl-4-yl]methyl)-4-(dimethylamino)pyridinium bromide
79.8% inhibition at 0.05 mM
1-([4'-[(3-aminophenoxy)methyl]biphenyl-4-yl]methyl)-4-(pyrrolidin-1-yl)pyridinium bromide
20.8% inhibition at 0.05 mM
1-([4'-[(3-hydroxyphenylamino)methyl]biphenyl-4-yl]-methyl)-4-(pyrrolidin-1-yl)-pyridinium bromide
28.2% inhibition at 0.05 mM
1-([4'-[(6-amino-9H-purin-9-yl)methyl][1,1'-biphenyl]-4-yl]methyl)-4-(dimethylamino)pyridin-1-ium bromide
-
1-([4'-[(6-amino-9H-purin-9-yl)methyl][1,1'-biphenyl]-4-yl]methyl)-4-(pyrrolidin-1-yl)pyridin-1-ium bromide
-
1-([4-[(6-amino-9H-purin-9-yl)methyl]phenyl]methyl)-4-(dimethylamino)pyridin-1-ium bromide
-
1-([4-[(6-amino-9H-purin-9-yl)methyl]phenyl]methyl)-4-(pyrrolidin-1-yl)pyridin-1-ium bromide
-
1-([4-[2-(4-[[6-(benzylsulfanyl)-9H-purin-9-yl]methyl]phenyl)ethyl]phenyl]methyl)-4-(dimethylamino)pyridin-1-ium bromide
-
1-([4-[2-(4-[[6-(benzylsulfanyl)-9H-purin-9-yl]methyl]phenyl)ethyl]phenyl]methyl)-4-(pyrrolidin-1-yl)pyridin-1-ium bromide
-
1-([4-[4-(4-[[6-(benzylsulfanyl)-9H-purin-9-yl]methyl]phenyl)butyl]phenyl]methyl)-4-(dimethylamino)pyridin-1-ium bromide
-
1-([4-[4-(4-[[6-(benzylsulfanyl)-9H-purin-9-yl]methyl]phenyl)butyl]phenyl]methyl)-4-(pyrrolidin-1-yl)pyridin-1-ium bromide
-
1-[(4'-[[6-(benzylsulfanyl)-9H-purin-9-yl]methyl][1,1'-biphenyl]-4-yl)methyl]-4-(dimethylamino)pyridin-1-ium bromide
-
1-[(4'-[[6-(benzylsulfanyl)-9H-purin-9-yl]methyl][1,1'-biphenyl]-4-yl)methyl]-4-(pyrrolidin-1-yl)pyridin-1-ium bromide
-
1-[(4-[4-[4-([4-[(4-chlorophenyl)(methyl)amino]pyridin-1-ium-1-yl]methyl)phenyl]butyl]phenyl)methyl]-4-(dimethylamino)pyridin-1-ium
-
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
-
1-[(4-[[6-(benzylsulfanyl)-9H-purin-9-yl]methyl]phenyl)methyl]-4-(dimethylamino)pyridin-1-ium bromide
-
1-[(4-[[6-(benzylsulfanyl)-9H-purin-9-yl]methyl]phenyl)methyl]-4-(pyrrolidin-1-yl)pyridin-1-ium bromide
-
1-[4'-[(6-amino-9H-purin-9-yl)methyl][1,1'-biphenyl]-4-yl]-4-(dimethylamino)pyridin-1-ium bromide
-
1-[4-(4-[4-[(3-aminophenoxy)methyl]phenyl]butyl)-benzyl]-4-(pyrrolidin-1-yl)pyridinium bromide
21.6% inhibition at 0.05 mM
1-[4-(4-[4-[(3-hydroxyphenylamino)methyl]phenyl]-butyl)benzyl]-4-(pyrrolidin-1-yl)pyridinium bromide
18% inhibition at 0.05 mM
1-[4-(4-[4-[(6-amino-3H-purin-3-yl)methyl]phenyl]butyl)benzyl]-4-(dimethylamino)pyridinium bromide
61.3% inhibition at 0.01 mM, 68.2% inhibition at 0.05 mM
1-[4-(4-[4-[(6-amino-3H-purin-3-yl)methyl]phenyl]butyl)benzyl]-4-pyrrolidinopyridinium bromide
22.6% inhibition at 0.01 mM, 59.9% inhibition at 0.05 mM
1-[4-(4-[4-[(6-amino-9H-purin-8-yl)methyl]phenyl]butyl)benzyl]-4-(dimethylamino)pyridinium bromide
-
-
1-[4-(4-[4-[(6-amino-9H-purin-9-yl)methyl]phenyl]butyl)benzyl]-4-(dimethylamino)pyridinium bromide
66.7% inhibition at 0.01 mM, 89.7% inhibition at 0.05 mM
1-[4-(4-[4-[(6-amino-9H-purin-9-yl)methyl]phenyl]butyl)benzyl]-4-pyrrolidinopyridinium bromide
36.9% inhibition at 0.01 mM, 41.9% inhibition at 0.05 mM
1-[4-[(3-aminophenoxy)methyl]benzyl]-4-(dimethylamino)pyridinium bromide
37.7% inhibition at 0.05 mM
1-[4-[(3-aminophenoxy)methyl]benzyl]-4-(pyrrolidin-1-yl)pyridinium bromide
12.9% inhibition at 0.05 mM
1-[4-[(3-hydroxyphenylamino)methyl]benzyl]-4-(pyrrolidin-1-yl)pyridinium bromide
41.3% inhibition at 0.05 mM
1-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine
analysis of the enzyme bound structure, PDB ID 5EQE
1-[4-[(6-amino-3H-purin-3-yl)methyl]benzyl]-4-(dimethylamino)pyridinium bromide
25% inhibition at 0.01 mM, 50.2% inhibition at 0.05 mM
1-[4-[(6-amino-9H-purin-9-yl)methyl]benzyl]-4-(dimethylamino)pyridinium bromide
46.7% inhibition at 0.01 mM, 54.1% inhibition at 0.05 mM
1-[4-[(6-amino-9H-purin-9-yl)methyl]benzyl]-4-pyrrolidinopyridinium bromide
27% inhibition at 0.05 mM
1-[[4-(2-[4-[(6-amino-9H-purin-9-yl)methyl]phenyl]ethyl)phenyl]methyl]-4-(dimethylamino)pyridin-1-ium bromide
-
1-[[4-(2-[4-[(6-amino-9H-purin-9-yl)methyl]phenyl]ethyl)phenyl]methyl]-4-(pyrrolidin-1-yl)pyridin-1-ium bromide
-
1-[[4-(4-[4-[(6-amino-9H-purin-9-yl)methyl]phenyl]butyl)phenyl]methyl]-4-(dimethylamino)pyridin-1-ium bromide
1-[[4-(4-[4-[(6-amino-9H-purin-9-yl)methyl]phenyl]butyl)phenyl]methyl]-4-(pyrrolidin-1-yl)pyridin-1-ium bromide
-
1-[[4-[4-[[4-(4-chloro-N-methylanilino)quinolin-1-ium-1-yl]methyl]phenyl]phenyl]methyl]-N-(4-chlorophenyl)-N-methylquinolin-1-ium-4-amine
i.e. TCD-717 or RSM-932A, strong inhibition of ChoKalpha, TCD-717 does not bind directly in the choline pocket but rather in a proximal location near the surface of the enzyme. Most notably, residues Tyr148, Ala176, Met177, Glu180, Phe200, Pro201, Trp248, Thr252, Tyr256, Glu332, Tyr333, Phe341, and Leu419 serve to orient and hold TCD-717 in place. Interaction of TCD-717 with ChoKalpha is driven by hydrophobic interactions across the N- and C-terminal domains. Binding of TCD-717 induces conformational changes compared to the unbound ChoKalpha structure. TCD-717 has completed phase I clinical trials
12,19-diaza-1,8-diazoniapentacyclo[18.2.2.23,6.28,11.214,17]triaconta-1(22),3,5,8,10,14,16,20,23,25,27,29-dodecaene dibromide
-
IC50: 0.0132 mM
12,21-diaza-1,8-diazoniapentacyclo[20.2.2.23,6.28,11.014,19]triaconta-1(24),3,5,8,10,14,16,18,22,25,27,29-dodecaene dibromide
-
IC50: 0.0021 mM
14,21-diaza-1,10-diazoniapentacyclo[20.2.2.210,13.216,19.03,8]triaconta-1(24),3,5,7,10,12,16,18,22,25,27,29-dodecaene dibromide
4-(4-chloro-N-methylanilino)-1-(4-[4-[(4-dimethylaminopyridinium-1-yl)methyl]phenethyl]benzyl)pyridinium dibromide
-
4-(4-chloro-N-methylanilino)-1-(4-[4-[(4-dimethylaminopyridinium-1-yl)methyl]phenyl]benzyl)pyridinium dibromide
-
4-(4-chloro-N-methylanilino)-1-(4-[4-[(4-pyrrolidinopyridinium-1-yl)methyl]phenethyl]benzyl)pyridinium dibromide
-
4-(4-chloro-N-methylanilino)-1-(4-[4-[(4-pyrrolidinopyridinium-1-yl)methyl]phenyl]benzyl)pyridinium dibromide
-
4-(4-chloro-N-methylanilino)-1-[4-(4-[4-[(4-dimethylaminopyridinium-1-yl)methyl]phenyl]butyl)benzyl]pyridinium dibromide
-
4-(4-chloro-N-methylanilino)-1-[4-(4-[4-[(4-pyrrolidinopyridinium-1-yl)methyl]phenyl]butyl)benzyl]pyridinium dibromide
-
4-(4-chloro-N-methylanilino)-1-[4-[(4-dimethylaminopyridinium-1-yl)methyl]benzyl]pyridinium dibromide
-
4-(4-chloro-N-methylanilino)-1-[4-[(4-pyrrolidinopyridinium-1-yl)methyl]benzyl]pyridinium dibromide
-
4-(dimethylamino)-1-(4-(3-(4-(((3-hydroxyphenyl)amino)methyl)phenyl)propyl)benzyl)pyridin-1-ium bromide
12.9% inhibition at 0.05 mM
4-(dimethylamino)-1-(4-(4-(((3-hydroxyphenyl)amino)methyl)benzyl)benzyl)pyridin-1-ium bromide
39.5% inhibition at 0.05 mM
4-(dimethylamino)-1-(4-[4-[(4-pyrrolidinopyridinium-1-yl)-methyl]phenethyl]benzyl)pyridinium dibromide
-
4-(dimethylamino)-1-(4-[4-[(4-pyrrolidinopyridinium-1-yl)-methyl]phenyl]benzyl)pyridinium dibromide
-
4-(dimethylamino)-1-({4-[(3-hydroxyphenylamino)-methyl]biphenyl-4-yl}methyl)pyridinium bromide
66.2% inhibition at 0.05 mM
4-(dimethylamino)-1-[4-(4-[4-[(4-pyrrolidinopyridinium-1-yl)-methyl]phenyl]butyl)benzyl]pyridinium dibromide
-
4-(dimethylamino)-1-[4-[(3-hydroxyphenylamino)-methyl]benzyl]pyridinium bromide
52.4% inhibition at 0.05 mM
4-(dimethylamino)-1-[4-[(4-pyrrolidinopyridinium-1-yl)methyl]-benzyl]pyridinium dibromide
-
4-[(4-chlorophenyl)(methyl)amino]-1-[(4'-[[4-(dimethylamino)phenyl]methyl][1,1'-biphenyl]-4-yl)methyl]pyridin-1-ium bromide
-
5,10,11,16,17,22-hexahydro-6,9:18,21-diethenodibenzo[g,p][1,5,10,14]tetraazacyclooctadecine-6,21-diium dibromide
-
IC50: 0.0248 mM
5-fluorouracil
-
Investigation of the effect of combining transient siRNA-chk transfection with the anticancer drug 5-fluorouracil on cell viability and proliferation. Choline kinase down-regulation with 5-fluorouracil treatment increased cell kill in cancer cells.
6-amino-3-([4-[4-(4-[[4-(dimethylamino)pyridin-1-ium-1-yl]methyl]phenyl)butyl]phenyl]methyl)-9H-purin-3-ium
-
6-amino-3-([4-[4-(4-[[4-(pyrrolidin-1-yl)pyridin-1-ium-1-yl]methyl]phenyl)butyl]phenyl]methyl)-9H-purin-3-ium
-
6-amino-3-[(4'-[[4-(dimethylamino)pyridin-1-ium-1-yl]methyl][1,1'-biphenyl]-4-yl)methyl]-9H-purin-3-ium
6-amino-3-[(4-[[4-(dimethylamino)pyridin-1-ium-1-yl]methyl]phenyl)methyl]-9H-purin-3-ium
-
7-chloro-1-(4-[2-[4-(7-chloro-5-pyrrolidin-1-ylquinolinium-1-yl)phenyl]ethyl]phenyl)-4-pyrrolidin-1-ylquinolinium
-
H-89
-
no activity on choline kinase at 5 mM ATP, decreasing the ATP concentration to 100 microM has no effect on choline kinase
hexadecyltrimethylammonium bromide
-
60% inhibition at 0.1 mM; HDTAB, structural resemblance to hexadecylphosphocholine, exhibits an antimalarial effect and inhibits choline kinase in a dose-dependent manner. For purified protein: 60% inhibition at 100 microM (in presence of 250 microM choline), 60% inhibition at 50 microM (in presence of 100 microM choline). HDTAB may compete with choline for the choline binding site of choline kinase and may offer competitive inhibition with respect to choline. The concentration of HDTAB required to inhibit Plasmodium falciparum growth by 62% was 10times lower than the concentration required to inhibit purified choline kinase by 60% in vitro
N-(3,5-dimethylphenyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CK37, identified through computational virtual screening, inhibits ChoKalpha activity both in enzymatic and in cellular assays, is able to suppress pCho production and tumor growth in vivo
N-iodomethyl-N,N-dimethyl-N-(4,4-diphenylbut-3-en-1-yl)ammonium iodide
-
-
N-iodomethyl-N,N-dimethyl-N-(5,5-diphenylpen-4-en-1-yl)ammonium iodide
-
-
N-iodomethyl-N,N-dimethyl-N-(6,6-diphenylhex-5-en-1-yl)ammonium iodide
-
-
phosphocholine
-
40% and 66% inhibition at 2.5 mM and 10 mM, respectively
(1-azabicyclo[2.2.2]octan-3-yl)bis(5-chlorothiophen-2-yl)methanol
precursor of (1S)-1-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-[2-[(oxan-4-yl)oxy]phenyl]-1-phenylpropan-1-ol, inhibits competitively against ATP, but not against choline
(1S)-1-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-[2-[(oxan-4-yl)oxy]phenyl]-1-phenylpropan-1-ol
-
(1S)-1-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-[2-[(oxan-4-yl)oxy]phenyl]-1-phenylpropan-1-ol
a structure-directed, selective ChoKalpha inhibitor. Treatment of HeLa cells and other cancer cells with the compound leads to a substantial reduction in the pCho level, and causes a reversible growth arrest but not cell death
(4-methyl-1,4-diazepan-1-yl)(4'-((4-methyl-1,4-diazepan-1-yl)-methyl)-[1,1'-biphenyl]-4-yl)methanone
-
(4-methyl-1,4-diazepan-1-yl)(4'-((4-methyl-1,4-diazepan-1-yl)-methyl)-[1,1'-biphenyl]-4-yl)methanone
-
1,1'-[butane-1,4-diylbis[(4,1-phenylene)methylene]]bis[4-(dimethylamino)pyridin-1-ium]
-
1,1'-[butane-1,4-diylbis[(4,1-phenylene)methylene]]bis[4-(dimethylamino)pyridin-1-ium]
a less toxic derivative of hemicholinium-3, it inhibits endogenous ChoKbeta activity and suppress breast cancer, colon cancer, and epidermoid carcinoma xenograft growth in vivo
1,1'-[butane-1,4-diylbis[(4,1-phenylene)methylene]]bis[4-(dimethylamino)pyridin-1-ium]
MN58b, mixed inhibition type with both choline and ATP
1,1'-[[1,1'-biphenyl]-4,4'-diylbis(methylene)]bis[4-[(4-chlorophenyl)(methyl)amino]quinolin-1-ium]
RSM-932A or TDC-717, a potential cancer therapeutic agent targeting choline metabolism, strong inhibition
1,1'-[[1,1'-biphenyl]-4,4'-diylbis(methylene)]bis[4-[(4-chlorophenyl)(methyl)amino]quinolin-1-ium]
RSM-932A, mixed inhibition type with choline, non-competitive with ATP
1-methyl-4-((4'-(4-methylpiperazin-1-yl)-[1,1'-biphenyl]-4-yl)-methyl)-1,4-diazepane
-
1-methyl-4-((4'-(4-methylpiperazin-1-yl)-[1,1'-biphenyl]-4-yl)-methyl)-1,4-diazepane
-
1-methyl-4-((4'-(trifluoromethyl)-[1,1'-biphenyl]-4-yl)methyl)-1,4-diazepane
-
1-methyl-4-((4'-(trifluoromethyl)-[1,1'-biphenyl]-4-yl)methyl)-1,4-diazepane
-
1-[[4-(4-[4-[(6-amino-9H-purin-9-yl)methyl]phenyl]butyl)phenyl]methyl]-4-(dimethylamino)pyridin-1-ium bromide
-
1-[[4-(4-[4-[(6-amino-9H-purin-9-yl)methyl]phenyl]butyl)phenyl]methyl]-4-(dimethylamino)pyridin-1-ium bromide
-
14,21-diaza-1,10-diazoniapentacyclo[20.2.2.210,13.216,19.03,8]triaconta-1(24),3,5,7,10,12,16,18,22,25,27,29-dodecaene dibromide
-
IC50: 0.0003 mM
14,21-diaza-1,10-diazoniapentacyclo[20.2.2.210,13.216,19.03,8]triaconta-1(24),3,5,7,10,12,16,18,22,25,27,29-dodecaene dibromide
-
IC50: 0.0003 mM, most potent inhibitor
2'-fluoro-4,4'-bis((4-methyl-1,4-diazepan-1-yl)methyl)-[1,1'-biphenyl]-2-carbonitrile
-
2'-fluoro-4,4'-bis((4-methyl-1,4-diazepan-1-yl)methyl)-[1,1'-biphenyl]-2-carbonitrile
-
4,4'-((2,3-difluoro-[1,1'-biphenyl]-4,4'-diyl)bis(methylene))bis-(1-methyl-1,4-diazepane)
-
4,4'-((2,3-difluoro-[1,1'-biphenyl]-4,4'-diyl)bis(methylene))bis-(1-methyl-1,4-diazepane)
-
4,4'-((2-fluoro-[1,1'-biphenyl]-4,4'-diyl)bis(methylene))bis(1-methyl-1,4-diazepane)
-
4,4'-((2-fluoro-[1,1'-biphenyl]-4,4'-diyl)bis(methylene))bis(1-methyl-1,4-diazepane)
-
4,4'-((3,5-difluoro-[1,1'-biphenyl]-4,4'-diyl)bis(methylene))bis-(1-methyl-1,4-diazepane)
-
4,4'-((3,5-difluoro-[1,1'-biphenyl]-4,4'-diyl)bis(methylene))bis-(1-methyl-1,4-diazepane)
-
4,4'-((3-chloro-[1,1'-biphenyl]-4,4'-diyl)bis(methylene))bis(1-methyl-1,4-diazepane)
-
4,4'-((3-chloro-[1,1'-biphenyl]-4,4'-diyl)bis(methylene))bis(1-methyl-1,4-diazepane)
-
4,4'-bis((4-methyl-1,4-diazepan-1-yl)methyl)-[1,1'-biphenyl]-2-carbonitrile
-
4,4'-bis((4-methyl-1,4-diazepan-1-yl)methyl)-[1,1'-biphenyl]-2-carbonitrile
-
6-amino-3-[(4'-[[4-(dimethylamino)pyridin-1-ium-1-yl]methyl][1,1'-biphenyl]-4-yl)methyl]-9H-purin-3-ium
-
6-amino-3-[(4'-[[4-(dimethylamino)pyridin-1-ium-1-yl]methyl][1,1'-biphenyl]-4-yl)methyl]-9H-purin-3-ium
-
HC-3
-
poor inhibition of 16% and 18% is observed at 50 microM and 150 microM, respectively, at both 100 and 250 microM choline
hemicholinium-3
competitive inhibitor, the inhibitory effect of hemicholinium-3 is about 500times higher toward the ChoKalpha isoforms than ChoKbeta isoform; competitive inhibitor, the inhibitory effect of hemicholinium-3 is about 500times higher toward the ChoKalpha isoforms than ChoKbeta isoform
hemicholinium-3
HC-3, a substrate site inhibitor that bears structural homology to choline, which contributes to its toxicity
hemicholinium-3
-
poor inhibition of 16% and 18% at 0.050 mM and 0.15 mM, respectively, not significantly inhibited by hemicholinium-3 up to 0.025 mM
hemicholinium-3
HC-3, HC-3 competes with the Cho substrate by directly displacing it from the active site of hChoK. Hemocholinium-3 blocks cell division, reduces LTA production, distorts the cell wall, and inhibits sChoK activity
methyl 4'-((4-methyl-1,4-diazepan-1-yl)methyl)-[1,1'-biphenyl]-4-carboxylate
-
methyl 4'-((4-methyl-1,4-diazepan-1-yl)methyl)-[1,1'-biphenyl]-4-carboxylate
-
MN58b
dysregulates the production of LTA, distorts the cell wall, and affects cell sensitivity to deoxycholate induced autolysis
RSM-932A
dysregulates the production of LTA, distorts the cell wall, and affects cell sensitivity to deoxycholate induced autolysis
additional information
not inhibited by 1-[4-(4-[4-[(3-aminophenoxy)methyl]phenyl]butyl)-benzyl]-4-(dimethylamino)pyridinium bromide
-
additional information
small molecule inhibitors of choline kinase identified by fragment-based drug discovery (NMR fragment screening and competition experiments), quantification of protein-ligand affinities, overview
-
additional information
-
small molecule inhibitors of choline kinase identified by fragment-based drug discovery (NMR fragment screening and competition experiments), quantification of protein-ligand affinities, overview
-
additional information
choline kinase inhibition and docking studies of a series of 6-(benzylthio)-9H-purin-9-yl-pyridinium derivatives using native ChoK from the cytosol of Hep-G2 cells and recombinantly expressed ChoKalpha, overview
-
additional information
chemotherapeutic drug design has centered on stopping the catalytic activity of choline kinase and reducing the downstream metabolites it produces
-
additional information
-
chemotherapeutic drug design has centered on stopping the catalytic activity of choline kinase and reducing the downstream metabolites it produces
-
additional information
-
the lethality of the homozygous choline kinase alpha knock-out mice embryos indicates the indispensable role of CK-alphain early embryogenesis
-
additional information
repurposing of drugs known to inhibit the human isoform of ChoK (hChoK), is a promising strategy for blocking the growth of Streptococcus pneumoniae cells and inhibiting the activity of the Streptococcus pneumoniae isoform of ChoK (sChok), with downstream physiological effects on the cell wall
-
additional information
-
repurposing of drugs known to inhibit the human isoform of ChoK (hChoK), is a promising strategy for blocking the growth of Streptococcus pneumoniae cells and inhibiting the activity of the Streptococcus pneumoniae isoform of ChoK (sChok), with downstream physiological effects on the cell wall
-
additional information
docking of MN58b and RSM-932A onto sChoK, overview. MN58b and RSM-932A fit into the active site of sChoK in a differential manner. In enzymatic assays with Streptoccocus pneumoniae extracts MN58b is still an inhibitor, while RSM-932A becomes an agonist
-
additional information
-
docking of MN58b and RSM-932A onto sChoK, overview. MN58b and RSM-932A fit into the active site of sChoK in a differential manner. In enzymatic assays with Streptoccocus pneumoniae extracts MN58b is still an inhibitor, while RSM-932A becomes an agonist
-
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ACTIVATING COMPOUND
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
IMAGE
c-Src
isoform CHKA2 total cellular activity and protein levels are regulated by c-Src
-
epidermal growth factor receptor
isoform CHKA2 total cellular activity and protein levels are regulated by epidermal growth factor receptor. In the presence of co-transfected epidermal growth factor receptor, the activity of wild type isoform CHKA2 is increased 2.5 fold
-
isopropyl-beta-D-thiogalactoside
-
recombinant protein expression is induced with 1 mM
Zinc
-
intacellular zinc depletion resulted in a concentration-dependent induction of CKI1 expression
carbon tetrachloride
CCl4, major increase in the transcript for choline kinase alpha expression in livers from mice 3 h and 6 h after administration of carbon tetrachloride. CK-beta is unaffected by the carbon tetrachloride treatment. Choline kinase activity is induced in murine livers by carbon tetrachloride as a result of an increase in the expression of the mRNA for CK-alpha and Ck-alpha protein.
carbon tetrachloride
CK activity is induced by carbon tetrachloride as a result of an increase in the expression of the mRNA for CK alpha and CK alpha protein. The transcriptional activity of CK alpha was markedly increased 3 h and 6 h after treatment with carbon tetrachloride. Carbon tetrachloride promotes the expression of the transcription factor activator protein 1 (AP-1) that increases CK expression and activity.
additional information
-
activation of choline kinase is essential for building membranes, cell growth, cell proliferationand for rebuilding phospholipids that are degraded in the process of signal transductiony
-
additional information
-
ChoKalpha mRNA levels are increased in tumour cell lines in terms of their corresponding normal human primary BEC. ChoKalpha is overexpressed with a consequent increase in phosphorylcholine production in lung-cancer cells.
-
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KM VALUE [mM]
SUBSTRATE
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
IMAGE
0.4
ATP
isoform ChoKalpha2 mutant F352L, pH and temperature not specified in the publication
0.4
ATP
wild type isoform ChoKalpha2, pH and temperature not specified in the publication
0.4
ATP
wild type isoform ChoKbeta, pH and temperature not specified in the publication
0.55
ATP
isoform ChoKalpha2 mutant F352A, pH and temperature not specified in the publication
0.65
ATP
isoform ChoKbeta mutant F352A, pH and temperature not specified in the publication
0.7
ATP
isoform ChoKbeta mutant F352L, pH and temperature not specified in the publication
0.76
ATP
wild type isoform ChoKalpha1, pH and temperature not specified in the publication
0.021
choline
isoform ChoKalpha2 mutant F352L, pH and temperature not specified in the publication
0.033
choline
wild type isoform ChoKbeta, pH and temperature not specified in the publication
0.041
choline
isoform ChoKbeta mutant F352L, pH and temperature not specified in the publication
0.07
choline
in 100 mM Tris-HCl buffer (pH 7.5) containing 100 mM KCl, 10 mM MgCl2, 0.5 mM phosphoenolpyruvate, 0.25 mM NADH, 4 units pyruvate kinase, and 5 units lactate dehydrogenase
0.086
choline
wild type isoform ChoKalpha2, pH and temperature not specified in the publication
0.102
choline
isoform ChoKbeta mutant F352A, pH and temperature not specified in the publication
0.107
choline
isoform ChoKalpha2 mutant F352A, pH and temperature not specified in the publication
0.145
choline
-
in 100 mM Tris/HCl, 6 mM MgCl2, 5 mM ATP, pH 8.8, at 37°C
0.18
choline
wild type isoform ChoKalpha1, pH and temperature not specified in the publication
0.188
choline
in 100 mM Tris-HCl pH 7.5, 100 mM KCl, 10 mM MgCl2, at 25°C
5
ethanolamine
-
in 100 mM Tris/HCl, 6 mM MgCl2, 5 mM ATP, pH 8.8, at 37°C
additional information
additional information
steady-state kinetics
-
additional information
additional information
-
steady-state kinetics
-
additional information
additional information
-
Km of MgATP2-: 10 mM, in presence of equimolar amounts of ATP and Mg2+, 1.5 mM, in 2.5-fold higher concentration of Mg2+ than ATP
-
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TURNOVER NUMBER [1/s]
SUBSTRATE
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
IMAGE
2.92
choline
wild type isoform ChoKbeta, pH and temperature not specified in the publication
4.58
choline
isoform ChoKbeta mutant F352L, pH and temperature not specified in the publication
9.5
choline
isoform ChoKbeta mutant F352A, pH and temperature not specified in the publication
14
choline
isoform ChoKalpha2 mutant F352L, pH and temperature not specified in the publication
47.33
choline
wild type isoform ChoKalpha2, pH and temperature not specified in the publication
49.5
choline
isoform ChoKalpha2 mutant F352A, pH and temperature not specified in the publication
71.5
choline
in 100 mM Tris-HCl buffer (pH 7.5) containing 100 mM KCl, 10 mM MgCl2, 0.5 mM phosphoenolpyruvate, 0.25 mM NADH, 4 units pyruvate kinase, and 5 units lactate dehydrogenase
76.83
choline
wild type isoform ChoKalpha1, pH and temperature not specified in the publication
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kcat/KM VALUE [1/mMs-1]
SUBSTRATE
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
IMAGE
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Ki VALUE [mM]
INHIBITOR
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
IMAGE
0.124 - 0.182
1,1'-[butane-1,4-diylbis[(4,1-phenylene)methylene]]bis[4-(dimethylamino)pyridin-1-ium]
0.0106 - 0.0358
1,1'-[[1,1'-biphenyl]-4,4'-diylbis(methylene)]bis[4-[(4-chlorophenyl)(methyl)amino]quinolin-1-ium]
3.45
phosphocholine
-
in 100 mM Tris/HCl, 6 mM MgCl2, 5 mM ATP, pH 8.8, at 37°C
0.124
1,1'-[butane-1,4-diylbis[(4,1-phenylene)methylene]]bis[4-(dimethylamino)pyridin-1-ium]
recombinant enzyme, pH 8.0, 25°C, versus choline
0.182
1,1'-[butane-1,4-diylbis[(4,1-phenylene)methylene]]bis[4-(dimethylamino)pyridin-1-ium]
recombinant enzyme, pH 8.0, 25°C, versus ATP
0.0106
1,1'-[[1,1'-biphenyl]-4,4'-diylbis(methylene)]bis[4-[(4-chlorophenyl)(methyl)amino]quinolin-1-ium]
recombinant enzyme, pH 8.0, 25°C, versus choline
0.0358
1,1'-[[1,1'-biphenyl]-4,4'-diylbis(methylene)]bis[4-[(4-chlorophenyl)(methyl)amino]quinolin-1-ium]
recombinant enzyme, pH 8.0, 25°C, versus ATP
5.5
ethanolamine
-
in 100 mM Tris/HCl, 6 mM MgCl2, 5 mM ATP, pH 8.8, at 37°C
0.00021
hemicholinium-3
wild type isoform ChoKalpha1, pH and temperature not specified in the publication
0.00023
hemicholinium-3
wild type isoform ChoKalpha2, pH and temperature not specified in the publication
0.00045
hemicholinium-3
isoform ChoKalpha2 mutant F352A, pH and temperature not specified in the publication
0.005
hemicholinium-3
isoform ChoKbeta mutant F352L, pH and temperature not specified in the publication
0.008
hemicholinium-3
isoform ChoKbeta mutant F352A, pH and temperature not specified in the publication
0.016
hemicholinium-3
isoform ChoKalpha2 mutant F352L, pH and temperature not specified in the publication
0.116
hemicholinium-3
wild type isoform ChoKbeta, pH and temperature not specified in the publication
additional information
additional information
inhibition kinetics and MIC values
-
additional information
additional information
-
inhibition kinetics and MIC values
-
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IC50 VALUE [mM]
INHIBITOR
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
IMAGE
0.00002
(1S)-1-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-[2-[(oxan-4-yl)oxy]phenyl]-1-phenylpropan-1-ol
Homo sapiens
pH 7.0, 25°C, recombinant enzyme
0.000251
(4-methyl-1,4-diazepan-1-yl)(4'-((4-methyl-1,4-diazepan-1-yl)-methyl)-[1,1'-biphenyl]-4-yl)methanone
0.00951
1,1'-(((ethane-1,2-diylbis(oxy))bis(4,1-phenylene))bis(methylene))bis(3-hydroxyquinuclidinium) bromide
Homo sapiens
at pH 8.5 and 37°C
0.00163
1,1'-(((ethane-1,2-diylbis(oxy))bis(4,1-phenylene))bis(methylene))bis(4-((4-chlorophenyl)(methyl)amino)pyridinium) bromide
Homo sapiens
at pH 8.5 and 37°C
0.00327
1,1'-(((ethane-1,2-diylbis(oxy))bis(4,1-phenylene))bis(methylene))bis(4-((4-chlorophenyl)(methyl)amino)quinolinium) bromide
Homo sapiens
at pH 8.5 and 37°C
0.00202
1,1'-(((ethane-1,2-diylbis(oxy))bis(4,1-phenylene))bis(methylene))bis(4-(azepan-1-yl)-7-chloroquinolinium) bromide
Homo sapiens
at pH 8.5 and 37°C
0.00166
1,1'-(((ethane-1,2-diylbis(oxy))bis(4,1-phenylene))bis(methylene))bis(4-(azepan-1-yl)quinolinium) bromide
Homo sapiens
at pH 8.5 and 37°C
0.001
1,1'-(((ethane-1,2-diylbis(oxy))bis(4,1-phenylene))bis(methylene))bis(4-(dimethylamino)pyridinium) bromide
Homo sapiens
at pH 8.5 and 37°C
0.00685
1,1'-(((ethane-1,2-diylbis(oxy))bis(4,1-phenylene))bis(methylene))bis(4-(methyl(phenyl)amino)quinolinium) bromide
Homo sapiens
at pH 8.5 and 37°C
0.00956
1,1'-(((ethane-1,2-diylbis(oxy))bis(4,1-phenylene))bis(methylene))bis(4-(pyrrolidin-1-yl)pyridinium) bromide
Homo sapiens
at pH 8.5 and 37°C
0.01622
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
at pH 8.5 and 37°C
0.00279
1,1'-(((ethane-1,2-diylbis(oxy))bis(4,1-phenylene))bis(methylene))bis(7-chloro-4-(methyl(phenyl)amino)quinolinium) bromide
Homo sapiens
at pH 8.5 and 37°C