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Compile Data Set for Download or QSAR

Found 103 hits Enz. Inhib. hit(s) with Target = 'Choline kinase alpha ' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
Choline kinase alpha


(Homo sapiens)
BDBM50356564
PNG
(CHEMBL1909964)
Show SMILES CN(C)C(=O)C[n+]1ccc(cc1)-c1nc(oc1C(F)(F)F)-c1ccc(cc1)-c1ccc(cc1)-c1nc(c(o1)C(F)(F)F)-c1cc[n+](CC(=O)N(C)C)cc1
Show InChI InChI=1S/C38H32F6N6O4/c1-47(2)29(51)21-49-17-13-25(14-18-49)31-33(37(39,40)41)53-35(45-31)27-9-5-23(6-10-27)24-7-11-28(12-8-24)36-46-32(34(54-36)38(42,43)44)26-15-19-50(20-16-26)22-30(52)48(3)4/h5-20H,21-22H2,1-4H3/q+2
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n/an/a 300n/an/an/an/an/an/a



Universidad Europea de Madrid

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Choline kinase alpha using [methyl-14C]choline chloride as substrate after 30 mins by autoradiography


Citation and Details
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50131885
PNG
(4,8-diaza-3 (1,4) , 9 (4,1)-dipyridina-1 (1,4), 6 ...)
Show SMILES C1N[c+]2ccn(Cc3ccc(Cn4cc[c+](NCc5cccc1c5)cc4)cc3)cc2
Show InChI InChI=1S/C26H26N4/c1-2-23-16-24(3-1)18-28-26-10-14-30(15-11-26)20-22-6-4-21(5-7-22)19-29-12-8-25(9-13-29)27-17-23/h1-16,27-28H,17-20H2/q+2
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n/an/a 300n/an/an/an/an/an/a



Universidad de Granada

Curated by ChEMBL


Assay Description
Ex vivo inhibitory activity against human choline kinase was determined


Citation and Details
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50131885
PNG
(4,8-diaza-3 (1,4) , 9 (4,1)-dipyridina-1 (1,4), 6 ...)
Show SMILES C1N[c+]2ccn(Cc3ccc(Cn4cc[c+](NCc5cccc1c5)cc4)cc3)cc2
Show InChI InChI=1S/C26H26N4/c1-2-23-16-24(3-1)18-28-26-10-14-30(15-11-26)20-22-6-4-21(5-7-22)19-29-12-8-25(9-13-29)27-17-23/h1-16,27-28H,17-20H2/q+2
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n/an/a 300n/an/an/an/an/an/a



Universidad de Granada

Curated by ChEMBL


Assay Description
Inhibition of ChoK in HT29 cells using [methyl-14C]choline chloride as substrate after 14 hrs by radiography


Citation and Details
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50166208
PNG
(Bisquinolinium derivative | CHEMBL191595)
Show SMILES C\[N+](c1ccccc1)=c1\ccn(Cc2cccc(c2)-c2cccc(Cn3cc\c(=[N+](/C)c4ccccc4)c4ccccc34)c2)c2ccccc12
Show InChI InChI=1S/C46H40N4/c1-47(39-19-5-3-6-20-39)43-27-29-49(45-25-11-9-23-41(43)45)33-35-15-13-17-37(31-35)38-18-14-16-36(32-38)34-50-30-28-44(42-24-10-12-26-46(42)50)48(2)40-21-7-4-8-22-40/h3-32H,33-34H2,1-2H3/q+2
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n/an/a 400n/an/an/an/an/an/a



Universidad de Granada

Curated by ChEMBL


Assay Description
Ex vivo inhibitory concentration against human choline kinase


Citation and Details
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50154646
PNG
(4N-methyl-4N-phenyl-1-{3-[3-(4-methylanilino-1-pyr...)
Show SMILES C[N+](c1ccccc1)=c1ccn(Cc2cccc(c2)-c2cccc(Cn3ccc(cc3)=[N+](C)c3ccccc3)c2)cc1
Show InChI InChI=1S/C38H36N4/c1-39(35-15-5-3-6-16-35)37-19-23-41(24-20-37)29-31-11-9-13-33(27-31)34-14-10-12-32(28-34)30-42-25-21-38(22-26-42)40(2)36-17-7-4-8-18-36/h3-28H,29-30H2,1-2H3/q+2
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n/an/a 400n/an/an/an/an/an/a



Universidad de Grenada

Curated by ChEMBL


Assay Description
Inhibitory activity against human choline kinase enzyme


Citation and Details
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50166185
PNG
(Bisquinolinium derivative | CHEMBL372667)
Show SMILES C(c1cccc(c1)-c1cccc(Cn2ccc(=[N+]3CCCCCC3)c3ccccc23)c1)n1ccc(=[N+]2CCCCCC2)c2ccccc12
Show InChI InChI=1S/C44H48N4/c1-2-10-26-45(25-9-1)43-23-29-47(41-21-7-5-19-39(41)43)33-35-15-13-17-37(31-35)38-18-14-16-36(32-38)34-48-30-24-44(40-20-6-8-22-42(40)48)46-27-11-3-4-12-28-46/h5-8,13-24,29-32H,1-4,9-12,25-28,33-34H2/q+2
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n/an/a 500n/an/an/an/an/an/a



Universidad de Granada

Curated by ChEMBL


Assay Description
Ex vivo inhibitory concentration against human choline kinase


Citation and Details
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50166194
PNG
(Bisquinolinium derivative | CHEMBL363853)
Show SMILES C(Cc1ccc(Cn2ccc(=[N+]3CCCCCC3)c3ccccc23)cc1)c1ccc(Cn2ccc(=[N+]3CCCCCC3)c3ccccc23)cc1
Show InChI InChI=1S/C46H52N4/c1-2-10-30-47(29-9-1)45-27-33-49(43-15-7-5-13-41(43)45)35-39-23-19-37(20-24-39)17-18-38-21-25-40(26-22-38)36-50-34-28-46(42-14-6-8-16-44(42)50)48-31-11-3-4-12-32-48/h5-8,13-16,19-28,33-34H,1-4,9-12,17-18,29-32,35-36H2/q+2
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n/an/a 600n/an/an/an/an/an/a



Universidad de Granada

Curated by ChEMBL


Assay Description
Ex vivo inhibitory concentration against human choline kinase


Citation and Details
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50166193
PNG
(Bisquinolinium derivative | CHEMBL370289)
Show SMILES Clc1ccc2c(c1)n(Cc1ccc(CCc3ccc(Cn4ccc(=[N+]5CCCC5)c5ccc(Cl)cc45)cc3)cc1)ccc2=[N+]1CCCC1
Show InChI InChI=1S/C42H42Cl2N4/c43-35-15-17-37-39(45-21-1-2-22-45)19-25-47(41(37)27-35)29-33-11-7-31(8-12-33)5-6-32-9-13-34(14-10-32)30-48-26-20-40(46-23-3-4-24-46)38-18-16-36(44)28-42(38)48/h7-20,25-28H,1-6,21-24,29-30H2/q+2
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n/an/a 1.00E+3n/an/an/an/an/an/a



Universidad de Granada

Curated by ChEMBL


Assay Description
Ex vivo inhibitory concentration against human choline kinase


Citation and Details
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50166183
PNG
(Bisquinolinium derivative | CHEMBL189324)
Show SMILES Clc1ccc2c(c1)n(Cc1cccc(c1)-c1cccc(Cn3ccc(=[N+]4CCCC4)c4ccc(Cl)cc34)c1)ccc2=[N+]1CCCC1
Show InChI InChI=1S/C40H38Cl2N4/c41-33-11-13-35-37(43-17-1-2-18-43)15-21-45(39(35)25-33)27-29-7-5-9-31(23-29)32-10-6-8-30(24-32)28-46-22-16-38(44-19-3-4-20-44)36-14-12-34(42)26-40(36)46/h5-16,21-26H,1-4,17-20,27-28H2/q+2
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n/an/a 1.20E+3n/an/an/an/an/an/a



Universidad de Granada

Curated by ChEMBL


Assay Description
Ex vivo inhibitory concentration against human choline kinase


Citation and Details
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50054098
PNG
(1,1'-[biphenyl-3,3'-diylbis(methylene)]-bis(4-amin...)
Show SMILES [NH2+]=c1ccn(Cc2cccc(c2)-c2cccc(Cn3ccc(=[NH2+])c4ccccc34)c2)c2ccccc12
Show InChI InChI=1S/C32H26N4/c33-29-15-17-35(31-13-3-1-11-27(29)31)21-23-7-5-9-25(19-23)26-10-6-8-24(20-26)22-36-18-16-30(34)28-12-2-4-14-32(28)36/h1-20,33-34H,21-22H2/p+2
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n/an/a 1.20E+3n/an/an/an/an/an/a



Universidad de Granada

Curated by ChEMBL


Assay Description
Ex vivo inhibitory concentration against human choline kinase


Citation and Details
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50166184
PNG
(Bisquinolinium derivative | CHEMBL191873)
Show SMILES C(c1cccc(c1)-c1cccc(Cn2cc\c(=[NH+]/c3ccccc3)c3ccccc23)c1)n1cc\c(=[NH+]\c2ccccc2)c2ccccc12
Show InChI InChI=1S/C44H34N4/c1-3-17-37(18-4-1)45-41-25-27-47(43-23-9-7-21-39(41)43)31-33-13-11-15-35(29-33)36-16-12-14-34(30-36)32-48-28-26-42(40-22-8-10-24-44(40)48)46-38-19-5-2-6-20-38/h1-30H,31-32H2/p+2/b45-41-,46-42+
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n/an/a 1.30E+3n/an/an/an/an/an/a



Universidad de Granada

Curated by ChEMBL


Assay Description
Ex vivo inhibitory concentration against human choline kinase


Citation and Details
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50356556
PNG
(CHEMBL1909973)
Show SMILES CN(C)C(=O)C[n+]1ccc(cc1)-c1nc(oc1C(F)(F)F)-c1ccc(cc1)-c1nc(c(o1)C(F)(F)F)-c1cc[n+](CC(=O)N(C)C)cc1
Show InChI InChI=1S/C32H28F6N6O4/c1-41(2)23(45)17-43-13-9-19(10-14-43)25-27(31(33,34)35)47-29(39-25)21-5-7-22(8-6-21)30-40-26(28(48-30)32(36,37)38)20-11-15-44(16-12-20)18-24(46)42(3)4/h5-16H,17-18H2,1-4H3/q+2
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n/an/a 1.35E+3n/an/an/an/an/an/a



Universidad Europea de Madrid

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Choline kinase alpha using [methyl-14C]choline chloride as substrate after 30 mins by autoradiography


Citation and Details
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50131887
PNG
(1-(3,5-Bis-{4-[(4-chloro-phenyl)-methyl-amino]-pyr...)
Show SMILES C[N+](c1ccc(Cl)cc1)=c1ccn(Cc2cc(Cn3ccc(cc3)=[N+](C)c3ccc(Cl)cc3)cc(Cn3ccc(cc3)=[N+](C)c3ccc(Cl)cc3)c2)cc1
Show InChI InChI=1S/C45H42Cl3N6/c1-49(40-10-4-37(46)5-11-40)43-16-22-52(23-17-43)31-34-28-35(32-53-24-18-44(19-25-53)50(2)41-12-6-38(47)7-13-41)30-36(29-34)33-54-26-20-45(21-27-54)51(3)42-14-8-39(48)9-15-42/h4-30H,31-33H2,1-3H3/q+3
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n/an/a 1.40E+3n/an/an/an/an/an/a



Universidad de Granada

Curated by ChEMBL


Assay Description
Ex vivo inhibitory activity against human choline kinase was determined


Citation and Details
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50166175
PNG
(Bisquinolinium derivative | CHEMBL364023)
Show SMILES C\[N+](c1ccccc1)=c1\ccn(Cc2ccc(CCc3ccc(Cn4cc\c(=[N+](/C)c5ccccc5)c5ccccc45)cc3)cc2)c2ccccc12
Show InChI InChI=1S/C48H44N4/c1-49(41-13-5-3-6-14-41)45-31-33-51(47-19-11-9-17-43(45)47)35-39-27-23-37(24-28-39)21-22-38-25-29-40(30-26-38)36-52-34-32-46(44-18-10-12-20-48(44)52)50(2)42-15-7-4-8-16-42/h3-20,23-34H,21-22,35-36H2,1-2H3/q+2
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n/an/a 1.40E+3n/an/an/an/an/an/a



Universidad de Granada

Curated by ChEMBL


Assay Description
Ex vivo inhibitory concentration against human choline kinase


Citation and Details
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50154653
PNG
(4N-(4-chlorophenyl)-4N-methyl-1-[3-(3-{4-[4-chloro...)
Show SMILES C[N+](c1ccc(Cl)cc1)=c1ccn(Cc2cccc(c2)-c2cccc(Cn3ccc(cc3)=[N+](C)c3ccc(Cl)cc3)c2)cc1
Show InChI InChI=1S/C38H34Cl2N4/c1-41(35-13-9-33(39)10-14-35)37-17-21-43(22-18-37)27-29-5-3-7-31(25-29)32-8-4-6-30(26-32)28-44-23-19-38(20-24-44)42(2)36-15-11-34(40)12-16-36/h3-26H,27-28H2,1-2H3/q+2
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n/an/a 1.50E+3n/an/an/an/an/an/a



Universidad de Grenada

Curated by ChEMBL


Assay Description
Inhibitory activity against human choline kinase enzyme


Citation and Details
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50154664
PNG
(4N-(4-chlorophenyl)-4N-methyl-1-[4-(4-{4-[4-chloro...)
Show SMILES C[N+](c1ccc(Cl)cc1)=c1ccn(Cc2ccc(cc2)-c2ccc(Cn3ccc(cc3)=[N+](C)c3ccc(Cl)cc3)cc2)cc1
Show InChI InChI=1S/C38H34Cl2N4/c1-41(35-15-11-33(39)12-16-35)37-19-23-43(24-20-37)27-29-3-7-31(8-4-29)32-9-5-30(6-10-32)28-44-25-21-38(22-26-44)42(2)36-17-13-34(40)14-18-36/h3-26H,27-28H2,1-2H3/q+2
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n/an/a 1.80E+3n/an/an/an/an/an/a



Universidad de Grenada

Curated by ChEMBL


Assay Description
Inhibitory activity against human choline kinase enzyme


Citation and Details
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50154654
PNG
(4-hexahydro-1-pyridinyl-1-{3-[3-(4-hexahydro-1-pyr...)
Show SMILES C(c1cccc(c1)-c1cccc(Cn2ccc(cc2)=[N+]2CCCCC2)c1)n1ccc(cc1)=[N+]1CCCCC1
Show InChI InChI=1S/C34H40N4/c1-3-17-37(18-4-1)33-13-21-35(22-14-33)27-29-9-7-11-31(25-29)32-12-8-10-30(26-32)28-36-23-15-34(16-24-36)38-19-5-2-6-20-38/h7-16,21-26H,1-6,17-20,27-28H2/q+2
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n/an/a 1.90E+3n/an/an/an/an/an/a



Universidad de Grenada

Curated by ChEMBL


Assay Description
Inhibitory activity against human choline kinase enzyme


Citation and Details
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50166172
PNG
(Bisquinolinium derivative | CHEMBL192986)
Show SMILES C\[N+](c1ccc(Cl)cc1)=c1\ccn(Cc2ccc(cc2)-c2ccc(Cn3cc\c(=[N+](/C)c4ccc(Cl)cc4)c4ccccc34)cc2)c2ccccc12
Show InChI InChI=1S/C46H38Cl2N4/c1-49(39-23-19-37(47)20-24-39)43-27-29-51(45-9-5-3-7-41(43)45)31-33-11-15-35(16-12-33)36-17-13-34(14-18-36)32-52-30-28-44(42-8-4-6-10-46(42)52)50(2)40-25-21-38(48)22-26-40/h3-30H,31-32H2,1-2H3/q+2
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n/an/a 2.00E+3n/an/an/an/an/an/a



Universidad de Granada

Curated by ChEMBL


Assay Description
Ex vivo inhibitory concentration against human choline kinase


Citation and Details
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50356563
PNG
(CHEMBL1909963 | CHEMBL1909965)
Show SMILES CN(C)C(=O)C[n+]1ccc(cc1)-c1nc(oc1C(F)(F)C(F)(F)F)-c1ccc(cc1)-c1ccc(cc1)-c1nc(c(o1)C(F)(F)C(F)(F)F)-c1cc[n+](CC(=O)N(C)C)cc1
Show InChI InChI=1S/C40H32F10N6O4/c1-53(2)29(57)21-55-17-13-25(14-18-55)31-33(37(41,42)39(45,46)47)59-35(51-31)27-9-5-23(6-10-27)24-7-11-28(12-8-24)36-52-32(34(60-36)38(43,44)40(48,49)50)26-15-19-56(20-16-26)22-30(58)54(3)4/h5-20H,21-22H2,1-4H3/q+2
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n/an/a 2.00E+3n/an/an/an/an/an/a



Universidad Europea de Madrid

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Choline kinase alpha using [methyl-14C]choline chloride as substrate after 30 mins by autoradiography


Citation and Details
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50131884
PNG
(Bis-pyridinium cyclophane | CHEMBL125434)
Show SMILES C1N[c+]2ccn(Cc3ccc(Cn4cc[c+](NCc5ccc1cc5)cc4)cc3)cc2
Show InChI InChI=1S/C26H26N4/c1-2-22-4-3-21(1)17-27-25-9-13-29(14-10-25)19-23-5-7-24(8-6-23)20-30-15-11-26(12-16-30)28-18-22/h1-16,27-28H,17-20H2/q+2
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n/an/a 2.10E+3n/an/an/an/an/an/a



Universidad de Granada

Curated by ChEMBL


Assay Description
Ex vivo inhibitory activity against human choline kinase was determined


Citation and Details
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50166202
PNG
(Bisquinolinium derivative | CHEMBL372448)
Show SMILES C\[N+](c1ccc(Cl)cc1)=c1\ccn(Cc2cccc(c2)-c2cccc(Cn3cc\c(=[N+](/C)c4ccc(Cl)cc4)c4ccccc34)c2)c2ccccc12
Show InChI InChI=1S/C46H38Cl2N4/c1-49(39-21-17-37(47)18-22-39)43-25-27-51(45-15-5-3-13-41(43)45)31-33-9-7-11-35(29-33)36-12-8-10-34(30-36)32-52-28-26-44(42-14-4-6-16-46(42)52)50(2)40-23-19-38(48)20-24-40/h3-30H,31-32H2,1-2H3/q+2
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n/an/a 2.10E+3n/an/an/an/an/an/a



Universidad de Granada

Curated by ChEMBL


Assay Description
Ex vivo inhibitory concentration against human choline kinase


Citation and Details
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50166198
PNG
(Bisquinolinium derivative | CHEMBL366224)
Show SMILES C(c1ccc(cc1)-c1ccc(Cn2ccc(=[N+]3CCCCCC3)c3ccccc23)cc1)n1ccc(=[N+]2CCCCCC2)c2ccccc12
Show InChI InChI=1S/C44H48N4/c1-2-10-28-45(27-9-1)43-25-31-47(41-15-7-5-13-39(41)43)33-35-17-21-37(22-18-35)38-23-19-36(20-24-38)34-48-32-26-44(40-14-6-8-16-42(40)48)46-29-11-3-4-12-30-46/h5-8,13-26,31-32H,1-4,9-12,27-30,33-34H2/q+2
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n/an/a 2.20E+3n/an/an/an/an/an/a



Universidad de Granada

Curated by ChEMBL


Assay Description
Ex vivo inhibitory concentration against human choline kinase


Citation and Details
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50166189
PNG
(Bisquinolinium derivative | CHEMBL364022)
Show SMILES C(Cc1ccc(Cn2cc\c(=[NH+]/c3ccccc3)c3ccccc23)cc1)c1ccc(Cn2cc\c(=[NH+]\c3ccccc3)c3ccccc23)cc1
Show InChI InChI=1S/C46H38N4/c1-3-11-39(12-4-1)47-43-29-31-49(45-17-9-7-15-41(43)45)33-37-25-21-35(22-26-37)19-20-36-23-27-38(28-24-36)34-50-32-30-44(42-16-8-10-18-46(42)50)48-40-13-5-2-6-14-40/h1-18,21-32H,19-20,33-34H2/p+2/b47-43-,48-44+
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n/an/a 2.30E+3n/an/an/an/an/an/a



Universidad de Granada

Curated by ChEMBL


Assay Description
Ex vivo inhibitory concentration against human choline kinase


Citation and Details
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50154651
PNG
(4-(3,5-dichlorophenyl)-1-(3-{3-[4-(3,5-dichlorophe...)
Show SMILES Clc1cc(Cl)cc(c1)-c1cc[n+](Cc2cccc(c2)-c2cccc(C[n+]3ccc(cc3)-c3cc(Cl)cc(Cl)c3)c2)cc1
Show InChI InChI=1S/C36H26Cl4N2/c37-33-17-31(18-34(38)21-33)27-7-11-41(12-8-27)23-25-3-1-5-29(15-25)30-6-2-4-26(16-30)24-42-13-9-28(10-14-42)32-19-35(39)22-36(40)20-32/h1-22H,23-24H2/q+2
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n/an/a 2.60E+3n/an/an/an/an/an/a



Universidad de Grenada

Curated by ChEMBL


Assay Description
Inhibitory activity against human choline kinase enzyme


Citation and Details
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50154644
PNG
(4N-(4-chlorophenyl)-4N-methyl-1-(4-{4-[4-chloro(me...)
Show SMILES C[N+](c1ccc(Cl)cc1)=c1ccn(Cc2ccc(Cn3ccc(cc3)=[N+](C)c3ccc(Cl)cc3)cc2)cc1
Show InChI InChI=1S/C32H30Cl2N4/c1-35(29-11-7-27(33)8-12-29)31-15-19-37(20-16-31)23-25-3-5-26(6-4-25)24-38-21-17-32(18-22-38)36(2)30-13-9-28(34)10-14-30/h3-22H,23-24H2,1-2H3/q+2
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n/an/a 2.90E+3n/an/an/an/an/an/a



Universidad de Grenada

Curated by ChEMBL


Assay Description
Inhibitory activity against human choline kinase enzyme


Citation and Details
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50166171
PNG
(Bisquinolinium derivative | CHEMBL436108)
Show SMILES C\[N+](c1ccccc1)=c1\ccn(Cc2ccc(cc2)-c2ccc(Cn3cc\c(=[N+](/C)c4ccccc4)c4ccccc34)cc2)c2ccccc12
Show InChI InChI=1S/C46H40N4/c1-47(39-13-5-3-6-14-39)43-29-31-49(45-19-11-9-17-41(43)45)33-35-21-25-37(26-22-35)38-27-23-36(24-28-38)34-50-32-30-44(42-18-10-12-20-46(42)50)48(2)40-15-7-4-8-16-40/h3-32H,33-34H2,1-2H3/q+2
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n/an/a 3.00E+3n/an/an/an/an/an/a



Universidad de Granada

Curated by ChEMBL


Assay Description
Ex vivo inhibitory concentration against human choline kinase


Citation and Details
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50166199
PNG
(Bisquinolinium derivative | CHEMBL364425)
Show SMILES C\[N+](c1ccccc1)=c1\ccn(Cc2cccc(c2)-c2cccc(Cn3cc\c(=[N+](/C)c4ccccc4)c4ccc(Cl)cc34)c2)c2cc(Cl)ccc12
Show InChI InChI=1S/C46H38Cl2N4/c1-49(39-15-5-3-6-16-39)43-23-25-51(45-29-37(47)19-21-41(43)45)31-33-11-9-13-35(27-33)36-14-10-12-34(28-36)32-52-26-24-44(42-22-20-38(48)30-46(42)52)50(2)40-17-7-4-8-18-40/h3-30H,31-32H2,1-2H3/q+2
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n/an/a 3.10E+3n/an/an/an/an/an/a



Universidad de Granada

Curated by ChEMBL


Assay Description
Ex vivo inhibitory concentration against human choline kinase


Citation and Details
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50356563
PNG
(CHEMBL1909963 | CHEMBL1909965)
Show SMILES CN(C)C(=O)C[n+]1ccc(cc1)-c1nc(oc1C(F)(F)C(F)(F)F)-c1ccc(cc1)-c1ccc(cc1)-c1nc(c(o1)C(F)(F)C(F)(F)F)-c1cc[n+](CC(=O)N(C)C)cc1
Show InChI InChI=1S/C40H32F10N6O4/c1-53(2)29(57)21-55-17-13-25(14-18-55)31-33(37(41,42)39(45,46)47)59-35(51-31)27-9-5-23(6-10-27)24-7-11-28(12-8-24)36-52-32(34(60-36)38(43,44)40(48,49)50)26-15-19-56(20-16-26)22-30(58)54(3)4/h5-20H,21-22H2,1-4H3/q+2
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n/an/a 3.10E+3n/an/an/an/an/an/a



Universidad Europea de Madrid

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Choline kinase alpha using [methyl-14C]choline chloride as substrate after 30 mins by autoradiography


Citation and Details
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50154658
PNG
(4-(3,5-dichlorophenyl)-1-(4-{4-[4-(3,5-dichlorophe...)
Show SMILES Clc1cc(Cl)cc(c1)-c1cc[n+](Cc2ccc(cc2)-c2ccc(C[n+]3ccc(cc3)-c3cc(Cl)cc(Cl)c3)cc2)cc1
Show InChI InChI=1S/C36H26Cl4N2/c37-33-17-31(18-34(38)21-33)29-9-13-41(14-10-29)23-25-1-5-27(6-2-25)28-7-3-26(4-8-28)24-42-15-11-30(12-16-42)32-19-35(39)22-36(40)20-32/h1-22H,23-24H2/q+2
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n/an/a 3.40E+3n/an/an/an/an/an/a



Universidad de Grenada

Curated by ChEMBL


Assay Description
Inhibitory activity against human choline kinase enzyme


Citation and Details
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50166205
PNG
(Bisquinolinium derivative | CHEMBL193088)
Show SMILES C\[N+](c1ccccc1)=c1\ccn(Cc2ccc(CCc3ccc(Cn4cc\c(=[N+](/C)c5ccccc5)c5ccc(Cl)cc45)cc3)cc2)c2cc(Cl)ccc12
Show InChI InChI=1S/C48H42Cl2N4/c1-51(41-9-5-3-6-10-41)45-27-29-53(47-31-39(49)23-25-43(45)47)33-37-19-15-35(16-20-37)13-14-36-17-21-38(22-18-36)34-54-30-28-46(44-26-24-40(50)32-48(44)54)52(2)42-11-7-4-8-12-42/h3-12,15-32H,13-14,33-34H2,1-2H3/q+2
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n/an/a 3.50E+3n/an/an/an/an/an/a



Universidad de Granada

Curated by ChEMBL


Assay Description
Ex vivo inhibitory concentration against human choline kinase


Citation and Details
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50356566
PNG
(CHEMBL1909966 | CHEMBL1909968)
Show SMILES OCC[n+]1ccc(cc1)-c1nc(oc1C(F)(F)C(F)(F)F)-c1ccc(cc1)C(c1ccc(cc1)-c1nc(c(o1)C(F)(F)C(F)(F)F)-c1cc[n+](CCO)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C39H26F16N4O4/c40-34(41,38(50,51)52)29-27(21-9-13-58(14-10-21)17-19-60)56-31(62-29)23-1-5-25(6-2-23)33(36(44,45)46,37(47,48)49)26-7-3-24(4-8-26)32-57-28(22-11-15-59(16-12-22)18-20-61)30(63-32)35(42,43)39(53,54)55/h1-16,60-61H,17-20H2/q+2
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n/an/a 4.20E+3n/an/an/an/an/an/a



Universidad Europea de Madrid

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Choline kinase alpha using [methyl-14C]choline chloride as substrate after 30 mins by autoradiography


Citation and Details
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50356562
PNG
(CHEMBL1909962)
Show SMILES CN(C)C(=O)C[n+]1ccc(cc1)-c1nc(oc1C(F)(F)C(F)(F)C(F)(F)F)-c1ccc(cc1)-c1ccc(cc1)-c1nc(c(o1)C(F)(F)C(F)(F)C(F)(F)F)-c1cc[n+](CC(=O)N(C)C)cc1
Show InChI InChI=1S/C42H32F14N6O4/c1-59(2)29(63)21-61-17-13-25(14-18-61)31-33(37(43,44)39(47,48)41(51,52)53)65-35(57-31)27-9-5-23(6-10-27)24-7-11-28(12-8-24)36-58-32(26-15-19-62(20-16-26)22-30(64)60(3)4)34(66-36)38(45,46)40(49,50)42(54,55)56/h5-20H,21-22H2,1-4H3/q+2
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n/an/a 4.25E+3n/an/an/an/an/an/a



Universidad Europea de Madrid

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Choline kinase alpha using [methyl-14C]choline chloride as substrate after 30 mins by autoradiography


Citation and Details
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50154656
PNG
(4N-methyl-4N-phenyl-1-{4-[4-(4-methylanilino-1-pyr...)
Show SMILES C[N+](c1ccccc1)=c1ccn(Cc2ccc(cc2)-c2ccc(Cn3ccc(cc3)=[N+](C)c3ccccc3)cc2)cc1
Show InChI InChI=1S/C38H36N4/c1-39(35-9-5-3-6-10-35)37-21-25-41(26-22-37)29-31-13-17-33(18-14-31)34-19-15-32(16-20-34)30-42-27-23-38(24-28-42)40(2)36-11-7-4-8-12-36/h3-28H,29-30H2,1-2H3/q+2
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n/an/a 4.30E+3n/an/an/an/an/an/a



Universidad de Grenada

Curated by ChEMBL


Assay Description
Inhibitory activity against human choline kinase enzyme


Citation and Details
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50166210
PNG
(Bisquinolinium derivative | CHEMBL370712)
Show SMILES C[N+](C)=c1ccn(Cc2cccc(c2)-c2cccc(Cn3ccc(=[N+](C)C)c4ccccc34)c2)c2ccccc12
Show InChI InChI=1S/C36H36N4/c1-37(2)33-19-21-39(35-17-7-5-15-31(33)35)25-27-11-9-13-29(23-27)30-14-10-12-28(24-30)26-40-22-20-34(38(3)4)32-16-6-8-18-36(32)40/h5-24H,25-26H2,1-4H3/q+2
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n/an/a 4.40E+3n/an/an/an/an/an/a



Universidad de Granada

Curated by ChEMBL


Assay Description
Ex vivo inhibitory concentration against human choline kinase


Citation and Details
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50356566
PNG
(CHEMBL1909966 | CHEMBL1909968)
Show SMILES OCC[n+]1ccc(cc1)-c1nc(oc1C(F)(F)C(F)(F)F)-c1ccc(cc1)C(c1ccc(cc1)-c1nc(c(o1)C(F)(F)C(F)(F)F)-c1cc[n+](CCO)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C39H26F16N4O4/c40-34(41,38(50,51)52)29-27(21-9-13-58(14-10-21)17-19-60)56-31(62-29)23-1-5-25(6-2-23)33(36(44,45)46,37(47,48)49)26-7-3-24(4-8-26)32-57-28(22-11-15-59(16-12-22)18-20-61)30(63-32)35(42,43)39(53,54)55/h1-16,60-61H,17-20H2/q+2
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n/an/a 4.40E+3n/an/an/an/an/an/a



Universidad Europea de Madrid

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Choline kinase alpha using [methyl-14C]choline chloride as substrate after 30 mins by autoradiography


Citation and Details
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50166174
PNG
(Bisquinolinium derivative | CHEMBL372223)
Show SMILES C\[N+](c1ccc(Cl)cc1)=c1\ccn(Cc2ccc(CCc3ccc(Cn4cc\c(=[N+](/C)c5ccc(Cl)cc5)c5ccccc45)cc3)cc2)c2ccccc12
Show InChI InChI=1S/C48H42Cl2N4/c1-51(41-25-21-39(49)22-26-41)45-29-31-53(47-9-5-3-7-43(45)47)33-37-17-13-35(14-18-37)11-12-36-15-19-38(20-16-36)34-54-32-30-46(44-8-4-6-10-48(44)54)52(2)42-27-23-40(50)24-28-42/h3-10,13-32H,11-12,33-34H2,1-2H3/q+2
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n/an/a 4.80E+3n/an/an/an/an/an/a



Universidad de Granada

Curated by ChEMBL


Assay Description
Ex vivo inhibitory concentration against human choline kinase


Citation and Details
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50166188
PNG
(Bisquinolinium derivative | CHEMBL192972)
Show SMILES C\[N+](c1ccc(Cl)cc1)=c1\ccn(Cc2ccc(CCc3ccc(Cn4cc\c(=[N+](/C)c5ccc(Cl)cc5)c5ccc(Cl)cc45)cc3)cc2)c2cc(Cl)ccc12
Show InChI InChI=1S/C48H40Cl4N4/c1-53(41-19-13-37(49)14-20-41)45-25-27-55(47-29-39(51)17-23-43(45)47)31-35-9-5-33(6-10-35)3-4-34-7-11-36(12-8-34)32-56-28-26-46(44-24-18-40(52)30-48(44)56)54(2)42-21-15-38(50)16-22-42/h5-30H,3-4,31-32H2,1-2H3/q+2
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n/an/a 5.70E+3n/an/an/an/an/an/a



Universidad de Granada

Curated by ChEMBL


Assay Description
Ex vivo inhibitory concentration against human choline kinase


Citation and Details
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50166177
PNG
(Bisquinolinium derivative | CHEMBL364692)
Show SMILES C\[N+](c1ccc(Cl)cc1)=c1\ccn(Cc2cccc(c2)-c2cccc(Cn3cc\c(=[N+](/C)c4ccc(Cl)cc4)c4ccc(Cl)cc34)c2)c2cc(Cl)ccc12
Show InChI InChI=1S/C46H36Cl4N4/c1-51(39-15-9-35(47)10-16-39)43-21-23-53(45-27-37(49)13-19-41(43)45)29-31-5-3-7-33(25-31)34-8-4-6-32(26-34)30-54-24-22-44(42-20-14-38(50)28-46(42)54)52(2)40-17-11-36(48)12-18-40/h3-28H,29-30H2,1-2H3/q+2
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n/an/a 5.70E+3n/an/an/an/an/an/a



Universidad de Granada

Curated by ChEMBL


Assay Description
Ex vivo inhibitory concentration against human choline kinase


Citation and Details
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50154643
PNG
(4-tetrahydro-1H-1-pyrrolyl-1-{3-[3-(4-tetrahydro-1...)
Show SMILES C(c1cccc(c1)-c1cccc(Cn2ccc(cc2)=[N+]2CCCC2)c1)n1ccc(cc1)=[N+]1CCCC1
Show InChI InChI=1S/C32H36N4/c1-2-16-35(15-1)31-11-19-33(20-12-31)25-27-7-5-9-29(23-27)30-10-6-8-28(24-30)26-34-21-13-32(14-22-34)36-17-3-4-18-36/h5-14,19-24H,1-4,15-18,25-26H2/q+2
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n/an/a 5.80E+3n/an/an/an/an/an/a



Universidad de Grenada

Curated by ChEMBL


Assay Description
Inhibitory activity against human choline kinase enzyme


Citation and Details
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50356555
PNG
(CHEMBL1909972)
Show SMILES CN(C)C(=O)C[n+]1ccc(cc1)-c1nc(oc1C(F)(F)F)-c1ccc(cc1)C(c1ccc(cc1)-c1nc(c(o1)C(F)(F)F)-c1cc[n+](CC(=O)N(C)C)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C41H32F12N6O4/c1-56(2)29(60)21-58-17-13-23(14-18-58)31-33(38(42,43)44)62-35(54-31)25-5-9-27(10-6-25)37(40(48,49)50,41(51,52)53)28-11-7-26(8-12-28)36-55-32(34(63-36)39(45,46)47)24-15-19-59(20-16-24)22-30(61)57(3)4/h5-20H,21-22H2,1-4H3/q+2
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n/an/a 6.15E+3n/an/an/an/an/an/a



Universidad Europea de Madrid

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Choline kinase alpha using [methyl-14C]choline chloride as substrate after 30 mins by autoradiography


Citation and Details
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50154650
PNG
(4N-(4-chlorophenyl)-4N-methyl-1-(3-{4-[4-chloro(me...)
Show SMILES C[N+](c1ccc(Cl)cc1)=c1ccn(Cc2cccc(Cn3ccc(cc3)=[N+](C)c3ccc(Cl)cc3)c2)cc1
Show InChI InChI=1S/C32H30Cl2N4/c1-35(29-10-6-27(33)7-11-29)31-14-18-37(19-15-31)23-25-4-3-5-26(22-25)24-38-20-16-32(17-21-38)36(2)30-12-8-28(34)9-13-30/h3-22H,23-24H2,1-2H3/q+2
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n/an/a 7.20E+3n/an/an/an/an/an/a



Universidad de Grenada

Curated by ChEMBL


Assay Description
Inhibitory activity against human choline kinase enzyme


Citation and Details
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50154662
PNG
(4N-(3,5-dichlorophenyl)-4N-methyl-1-(3-{4-[3,5-dic...)
Show SMILES C[N+](c1cc(Cl)cc(Cl)c1)=c1ccn(Cc2cccc(Cn3ccc(cc3)=[N+](C)c3cc(Cl)cc(Cl)c3)c2)cc1
Show InChI InChI=1S/C32H28Cl4N4/c1-37(31-17-25(33)15-26(34)18-31)29-6-10-39(11-7-29)21-23-4-3-5-24(14-23)22-40-12-8-30(9-13-40)38(2)32-19-27(35)16-28(36)20-32/h3-20H,21-22H2,1-2H3/q+2
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n/an/a 8.40E+3n/an/an/an/an/an/a



Universidad de Grenada

Curated by ChEMBL


Assay Description
Inhibitory activity against human choline kinase enzyme


Citation and Details
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50342853
PNG
(4-(6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-...)
Show SMILES COc1cc2CC[N+](Cc2cc1OC)=c1ccn(Cc2ccc(Cn3ccc(cc3)=[N+]3CCCCC3)cc2)cc1
Show InChI InChI=1S/C34H40N4O2/c1-39-33-22-29-10-21-38(26-30(29)23-34(33)40-2)32-13-19-36(20-14-32)25-28-8-6-27(7-9-28)24-35-17-11-31(12-18-35)37-15-4-3-5-16-37/h6-9,11-14,17-20,22-23H,3-5,10,15-16,21,24-26H2,1-2H3/q+2
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n/an/a 8.43E+3n/an/an/an/an/an/a



Universidad de Granada

Curated by ChEMBL


Assay Description
Inhibition of ChoK in HT29 cells using [methyl-14C]choline chloride as substrate after 14 hrs by radiography


Citation and Details
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50154642
PNG
(4-hexahydro-1-pyridinyl-1-{4-[4-(4-hexahydro-1-pyr...)
Show SMILES C(c1ccc(cc1)-c1ccc(Cn2ccc(cc2)=[N+]2CCCCC2)cc1)n1ccc(cc1)=[N+]1CCCCC1
Show InChI InChI=1S/C34H40N4/c1-3-19-37(20-4-1)33-15-23-35(24-16-33)27-29-7-11-31(12-8-29)32-13-9-30(10-14-32)28-36-25-17-34(18-26-36)38-21-5-2-6-22-38/h7-18,23-26H,1-6,19-22,27-28H2/q+2
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n/an/a 8.80E+3n/an/an/an/an/an/a



Universidad de Grenada

Curated by ChEMBL


Assay Description
Inhibitory activity against human choline kinase enzyme


Citation and Details
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50166195
PNG
(Bisquinolinium derivative | CHEMBL372473)
Show SMILES C[N+](C)=c1ccn(Cc2ccc(CCc3ccc(Cn4ccc(=[N+](C)C)c5ccc(Cl)cc45)cc3)cc2)c2cc(Cl)ccc12
Show InChI InChI=1S/C38H38Cl2N4/c1-41(2)35-19-21-43(37-23-31(39)15-17-33(35)37)25-29-11-7-27(8-12-29)5-6-28-9-13-30(14-10-28)26-44-22-20-36(42(3)4)34-18-16-32(40)24-38(34)44/h7-24H,5-6,25-26H2,1-4H3/q+2
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n/an/a 9.00E+3n/an/an/an/an/an/a



Universidad de Granada

Curated by ChEMBL


Assay Description
Ex vivo inhibitory concentration against human choline kinase


Citation and Details
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50087657
PNG
(1,2-di[4-(4-hexahydro-1-pyridinyl-1-pyridiniumylme...)
Show SMILES C(Cc1ccc(Cn2ccc(cc2)=[N+]2CCCCC2)cc1)c1ccc(Cn2ccc(cc2)=[N+]2CCCCC2)cc1
Show InChI InChI=1S/C36H44N4/c1-3-21-39(22-4-1)35-17-25-37(26-18-35)29-33-13-9-31(10-14-33)7-8-32-11-15-34(16-12-32)30-38-27-19-36(20-28-38)40-23-5-2-6-24-40/h9-20,25-28H,1-8,21-24,29-30H2/q+2
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n/an/a 9.60E+3n/an/an/an/an/an/a



Granada

Curated by ChEMBL


Assay Description
Compound was tested ex vivo for inhibition against purified choline kinase obtained from yeast


Bioorg Med Chem Lett 10: 767-70 (2000)

More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50166180
PNG
(Bisquinolinium derivative | CHEMBL193153)
Show SMILES C[N+](C)=c1ccn(Cc2cccc(c2)-c2cccc(Cn3ccc(=[N+](C)C)c4ccc(Cl)cc34)c2)c2cc(Cl)ccc12
Show InChI InChI=1S/C36H34Cl2N4/c1-39(2)33-15-17-41(35-21-29(37)11-13-31(33)35)23-25-7-5-9-27(19-25)28-10-6-8-26(20-28)24-42-18-16-34(40(3)4)32-14-12-30(38)22-36(32)42/h5-22H,23-24H2,1-4H3/q+2
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n/an/a 9.60E+3n/an/an/an/an/an/a



Universidad de Granada

Curated by ChEMBL


Assay Description
Ex vivo inhibitory concentration against human choline kinase


Citation and Details
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50356558
PNG
(CHEMBL1909958)
Show SMILES OCC[n+]1ccc(cc1)-c1nc(oc1C(F)(F)C(F)(F)F)-c1ccc(cc1)-c1ccc(cc1)-c1nc(c(o1)C(F)(F)C(F)(F)F)-c1cc[n+](CCO)cc1
Show InChI InChI=1S/C36H26F10N4O4/c37-33(38,35(41,42)43)29-27(23-9-13-49(14-10-23)17-19-51)47-31(53-29)25-5-1-21(2-6-25)22-3-7-26(8-4-22)32-48-28(24-11-15-50(16-12-24)18-20-52)30(54-32)34(39,40)36(44,45)46/h1-16,51-52H,17-20H2/q+2
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n/an/a 9.65E+3n/an/an/an/an/an/a



Universidad Europea de Madrid

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Choline kinase alpha using [methyl-14C]choline chloride as substrate after 30 mins by autoradiography


Citation and Details
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50154663
PNG
(4N-(3,5-dichlorophenyl)-4N-methyl-1-(4-{4-[3,5-dic...)
Show SMILES C[N+](c1cc(Cl)cc(Cl)c1)=c1ccn(Cc2ccc(Cn3ccc(cc3)=[N+](C)c3cc(Cl)cc(Cl)c3)cc2)cc1
Show InChI InChI=1S/C32H28Cl4N4/c1-37(31-17-25(33)15-26(34)18-31)29-7-11-39(12-8-29)21-23-3-5-24(6-4-23)22-40-13-9-30(10-14-40)38(2)32-19-27(35)16-28(36)20-32/h3-20H,21-22H2,1-2H3/q+2
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n/an/a 9.70E+3n/an/an/an/an/an/a



Universidad de Grenada

Curated by ChEMBL


Assay Description
Inhibitory activity against human choline kinase enzyme


Citation and Details
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50166170
PNG
(Bisquinolinium derivative | CHEMBL192987)
Show SMILES C[N+](C)=c1ccn(Cc2ccc(CCc3ccc(Cn4ccc(=[N+](C)C)c5ccccc45)cc3)cc2)c2ccccc12
Show InChI InChI=1S/C38H40N4/c1-39(2)35-23-25-41(37-11-7-5-9-33(35)37)27-31-19-15-29(16-20-31)13-14-30-17-21-32(22-18-30)28-42-26-24-36(40(3)4)34-10-6-8-12-38(34)42/h5-12,15-26H,13-14,27-28H2,1-4H3/q+2
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n/an/a 1.02E+4n/an/an/an/an/an/a



Universidad de Granada

Curated by ChEMBL


Assay Description
Ex vivo inhibitory concentration against human choline kinase


Citation and Details
More data for this
Ligand-Target Pair
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