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Compile Data Set for Download or QSAR

Found 146 hits Enz. Inhib. hit(s) with Target = 'Choline kinase alpha'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Choline kinase alpha


(Homo sapiens)
BDBM50145944
PNG
(CHEMBL3763540)
Show SMILES CN1CCCN(Cc2ccc(cc2)-c2ccc(CN3CCCN(C)CC3)cc2C#N)CC1
Show InChI InChI=1S/C27H37N5/c1-29-11-3-13-31(17-15-29)21-23-5-8-25(9-6-23)27-10-7-24(19-26(27)20-28)22-32-14-4-12-30(2)16-18-32/h5-10,19H,3-4,11-18,21-22H2,1-2H3
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n/an/an/a 10n/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human N-terminal truncated ChoKalpha1 (75 to 457 residues) by surface plasmon resonance assay


J Med Chem 59: 671-86 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01552
BindingDB Entry DOI: 10.7270/Q23X88HX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Choline kinase alpha


(Homo sapiens)
BDBM50145945
PNG
(CHEMBL3764278)
Show SMILES CN1CCCN(Cc2ccc(cc2)-c2ccc(CN3CCCN(C)CC3)c(F)c2F)CC1
Show InChI InChI=1S/C26H36F2N4/c1-29-11-3-13-31(17-15-29)19-21-5-7-22(8-6-21)24-10-9-23(25(27)26(24)28)20-32-14-4-12-30(2)16-18-32/h5-10H,3-4,11-20H2,1-2H3
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n/an/an/a 21n/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human N-terminal truncated ChoKalpha1 (75 to 457 residues) by surface plasmon resonance assay


J Med Chem 59: 671-86 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01552
BindingDB Entry DOI: 10.7270/Q23X88HX
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50145947
PNG
(CHEMBL3763792)
Show SMILES CN1CCCN(Cc2ccc(cc2)-c2ccc(CN3CCCN(C)CC3)c(Cl)c2)CC1
Show InChI InChI=1S/C26H37ClN4/c1-28-11-3-13-30(17-15-28)20-22-5-7-23(8-6-22)24-9-10-25(26(27)19-24)21-31-14-4-12-29(2)16-18-31/h5-10,19H,3-4,11-18,20-21H2,1-2H3
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n/an/an/a 88n/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human N-terminal truncated ChoKalpha1 (75 to 457 residues) by surface plasmon resonance assay


J Med Chem 59: 671-86 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01552
BindingDB Entry DOI: 10.7270/Q23X88HX
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50145946
PNG
(CHEMBL3763931)
Show SMILES CN1CCCN(Cc2ccc(c(F)c2)-c2ccc(CN3CCCN(C)CC3)cc2C#N)CC1
Show InChI InChI=1S/C27H36FN5/c1-30-9-3-11-32(15-13-30)20-22-5-7-25(24(17-22)19-29)26-8-6-23(18-27(26)28)21-33-12-4-10-31(2)14-16-33/h5-8,17-18H,3-4,9-16,20-21H2,1-2H3
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n/an/an/a 99n/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human N-terminal truncated ChoKalpha1 (75 to 457 residues) by surface plasmon resonance assay


J Med Chem 59: 671-86 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01552
BindingDB Entry DOI: 10.7270/Q23X88HX
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50447102
PNG
(CHEMBL3112879)
Show SMILES C[N+](C)=c1ccn(Cc2ccc(CCCCc3ccc(Cn4ccc(cc4)=[N+](C)c4ccc(Cl)cc4)cc3)cc2)cc1
Show InChI InChI=1S/C37H41ClN4/c1-39(2)35-20-24-41(25-21-35)28-32-12-8-30(9-13-32)6-4-5-7-31-10-14-33(15-11-31)29-42-26-22-37(23-27-42)40(3)36-18-16-34(38)17-19-36/h8-27H,4-7,28-29H2,1-3H3/q+2
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n/an/an/a 110n/an/an/an/an/a



Universidad de Granada

Curated by ChEMBL


Assay Description
Binding affinity to human CK-alpha1 by tryptophan fluorescence spectroscopic analysis


J Med Chem 57: 507-15 (2014)


Article DOI: 10.1021/jm401665x
BindingDB Entry DOI: 10.7270/Q2M90B47
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50145942
PNG
(CHEMBL3765239)
Show SMILES CN1CCCN(Cc2ccc(cc2)-c2ccc(cc2)C(=O)N2CCCN(C)CC2)CC1
Show InChI InChI=1S/C26H36N4O/c1-27-13-3-15-29(19-17-27)21-22-5-7-23(8-6-22)24-9-11-25(12-10-24)26(31)30-16-4-14-28(2)18-20-30/h5-12H,3-4,13-21H2,1-2H3
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n/an/an/a 195n/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human N-terminal truncated ChoKalpha1 (75 to 457 residues) by surface plasmon resonance assay


J Med Chem 59: 671-86 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01552
BindingDB Entry DOI: 10.7270/Q23X88HX
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50145989
PNG
(CHEMBL3763982)
Show SMILES CN1CCCN(Cc2ccc(cc2)-c2ccc(CN3CCCN(C)CC3)cc2F)CC1
Show InChI InChI=1S/C26H37FN4/c1-28-11-3-13-30(17-15-28)20-22-5-8-24(9-6-22)25-10-7-23(19-26(25)27)21-31-14-4-12-29(2)16-18-31/h5-10,19H,3-4,11-18,20-21H2,1-2H3
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n/an/an/a 211n/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human N-terminal truncated ChoKalpha1 (75 to 457 residues) by surface plasmon resonance assay


J Med Chem 59: 671-86 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01552
BindingDB Entry DOI: 10.7270/Q23X88HX
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50146003
PNG
(CHEMBL3763453)
Show SMILES CN1CCCN(Cc2ccc(cc2)-c2cc(F)c(CN3CCCN(C)CC3)c(F)c2)CC1
Show InChI InChI=1S/C26H36F2N4/c1-29-9-3-11-31(15-13-29)19-21-5-7-22(8-6-21)23-17-25(27)24(26(28)18-23)20-32-12-4-10-30(2)14-16-32/h5-8,17-18H,3-4,9-16,19-20H2,1-2H3
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n/an/an/a 259n/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human N-terminal truncated ChoKalpha1 (75 to 457 residues) by surface plasmon resonance assay


J Med Chem 59: 671-86 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01552
BindingDB Entry DOI: 10.7270/Q23X88HX
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50145943
PNG
(CHEMBL3763801)
Show SMILES CN1CCCN(Cc2ccc(cc2)-c2ccc(CN3CCCN(C)CC3)cc2)CC1
Show InChI InChI=1S/C26H38N4/c1-27-13-3-15-29(19-17-27)21-23-5-9-25(10-6-23)26-11-7-24(8-12-26)22-30-16-4-14-28(2)18-20-30/h5-12H,3-4,13-22H2,1-2H3
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n/an/an/a 382n/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human N-terminal truncated ChoKalpha1 (75 to 457 residues) by surface plasmon resonance assay


J Med Chem 59: 671-86 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01552
BindingDB Entry DOI: 10.7270/Q23X88HX
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50447103
PNG
(CHEMBL3112870)
Show SMILES C[N+](C)=c1ccn(Cc2ccc(CCc3ccc(Cn4ccc(cc4)=[N+]4CCCC4)cc3)cc2)cc1
Show InChI InChI=1S/C32H38N4/c1-33(2)31-15-21-34(22-16-31)25-29-11-7-27(8-12-29)5-6-28-9-13-30(14-10-28)26-35-23-17-32(18-24-35)36-19-3-4-20-36/h7-18,21-24H,3-6,19-20,25-26H2,1-2H3/q+2
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n/an/an/a 400n/an/an/an/an/a



Universidad de Granada

Curated by ChEMBL


Assay Description
Binding affinity to human CK-alpha1 by tryptophan fluorescence spectroscopic analysis


J Med Chem 57: 507-15 (2014)


Article DOI: 10.1021/jm401665x
BindingDB Entry DOI: 10.7270/Q2M90B47
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50447101
PNG
(CHEMBL3112877)
Show SMILES C[N+](C)=c1ccn(Cc2ccc(cc2)-c2ccc(Cn3ccc(cc3)=[N+](C)c3ccc(Cl)cc3)cc2)cc1
Show InChI InChI=1S/C33H33ClN4/c1-35(2)31-16-20-37(21-17-31)24-26-4-8-28(9-5-26)29-10-6-27(7-11-29)25-38-22-18-33(19-23-38)36(3)32-14-12-30(34)13-15-32/h4-23H,24-25H2,1-3H3/q+2
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n/an/an/a 620n/an/an/an/an/a



Universidad de Granada

Curated by ChEMBL


Assay Description
Binding affinity to human CK-alpha1 by tryptophan fluorescence spectroscopic analysis


J Med Chem 57: 507-15 (2014)


Article DOI: 10.1021/jm401665x
BindingDB Entry DOI: 10.7270/Q2M90B47
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50145931
PNG
(CHEMBL3764898)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc(CN2CCCN(C)CC2)cc1
Show InChI InChI=1S/C24H34N4/c1-25-12-3-13-27(17-14-25)20-21-4-6-22(7-5-21)23-8-10-24(11-9-23)28-18-15-26(2)16-19-28/h4-11H,3,12-20H2,1-2H3
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n/an/an/a 769n/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human N-terminal truncated ChoKalpha1 (75 to 457 residues) by surface plasmon resonance assay


J Med Chem 59: 671-86 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01552
BindingDB Entry DOI: 10.7270/Q23X88HX
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50145934
PNG
(CHEMBL3764904)
Show SMILES COC(=O)c1ccc(cc1)-c1ccc(CN2CCCN(C)CC2)cc1
Show InChI InChI=1S/C21H26N2O2/c1-22-12-3-13-23(15-14-22)16-17-4-6-18(7-5-17)19-8-10-20(11-9-19)21(24)25-2/h4-11H,3,12-16H2,1-2H3
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n/an/an/a 2.40E+3n/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human N-terminal truncated ChoKalpha1 (75 to 457 residues) by surface plasmon resonance assay


J Med Chem 59: 671-86 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01552
BindingDB Entry DOI: 10.7270/Q23X88HX
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50145930
PNG
(CHEMBL3763340)
Show SMILES CN1CCCN(Cc2ccc(cc2)-c2ccccc2)CC1
Show InChI InChI=1S/C19H24N2/c1-20-12-5-13-21(15-14-20)16-17-8-10-19(11-9-17)18-6-3-2-4-7-18/h2-4,6-11H,5,12-16H2,1H3
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n/an/an/a 3.70E+3n/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human N-terminal truncated ChoKalpha1 (75 to 457 residues) by surface plasmon resonance assay


J Med Chem 59: 671-86 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01552
BindingDB Entry DOI: 10.7270/Q23X88HX
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50145939
PNG
(CHEMBL3764767)
Show SMILES COc1ccc(cc1)-c1ccc(CN2CCCN(C)CC2)cc1
Show InChI InChI=1S/C20H26N2O/c1-21-12-3-13-22(15-14-21)16-17-4-6-18(7-5-17)19-8-10-20(23-2)11-9-19/h4-11H,3,12-16H2,1-2H3
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n/an/an/a 3.80E+3n/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human N-terminal truncated ChoKalpha1 (75 to 457 residues) by surface plasmon resonance assay


J Med Chem 59: 671-86 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01552
BindingDB Entry DOI: 10.7270/Q23X88HX
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50145928
PNG
(CHEMBL3765077)
Show SMILES CN1CCCN(Cc2ccc3ncccc3c2)CC1
Show InChI InChI=1S/C16H21N3/c1-18-8-3-9-19(11-10-18)13-14-5-6-16-15(12-14)4-2-7-17-16/h2,4-7,12H,3,8-11,13H2,1H3
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n/an/an/a 4.00E+3n/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human N-terminal truncated ChoKalpha1 (75 to 457 residues) by surface plasmon resonance assay


J Med Chem 59: 671-86 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01552
BindingDB Entry DOI: 10.7270/Q23X88HX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Choline kinase alpha


(Homo sapiens)
BDBM50145940
PNG
(CHEMBL3765567)
Show SMILES CN1CCCN(Cc2ccc(cc2)-c2ccc(cc2)C(F)(F)F)CC1
Show InChI InChI=1S/C20H23F3N2/c1-24-11-2-12-25(14-13-24)15-16-3-5-17(6-4-16)18-7-9-19(10-8-18)20(21,22)23/h3-10H,2,11-15H2,1H3
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n/an/an/a 4.00E+3n/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human N-terminal truncated ChoKalpha1 (75 to 457 residues) by surface plasmon resonance assay


J Med Chem 59: 671-86 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01552
BindingDB Entry DOI: 10.7270/Q23X88HX
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50145929
PNG
(CHEMBL3765650)
Show SMILES CN1CCCN(Cc2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C17H22N2/c1-18-9-4-10-19(12-11-18)14-15-7-8-16-5-2-3-6-17(16)13-15/h2-3,5-8,13H,4,9-12,14H2,1H3
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n/an/an/a 4.30E+3n/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human N-terminal truncated ChoKalpha1 (75 to 457 residues) by surface plasmon resonance assay


J Med Chem 59: 671-86 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01552
BindingDB Entry DOI: 10.7270/Q23X88HX
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50145927
PNG
(CHEMBL3764395)
Show SMILES CN1CCNCC(Cc2ccc3ncccc3c2)C1
Show InChI InChI=1S/C16H21N3/c1-19-8-7-17-11-14(12-19)9-13-4-5-16-15(10-13)3-2-6-18-16/h2-6,10,14,17H,7-9,11-12H2,1H3
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n/an/an/a 7.00E+3n/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human N-terminal truncated ChoKalpha1 (75 to 457 residues) by surface plasmon resonance assay


J Med Chem 59: 671-86 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01552
BindingDB Entry DOI: 10.7270/Q23X88HX
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50145918
PNG
(CHEMBL3763993)
Show SMILES CN1CCCN(Cc2ccc(CN)cc2)CC1
Show InChI InChI=1S/C14H23N3/c1-16-7-2-8-17(10-9-16)12-14-5-3-13(11-15)4-6-14/h3-6H,2,7-12,15H2,1H3
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n/an/an/a 1.32E+5n/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human N-terminal truncated ChoKalpha1 (75 to 457 residues) by surface plasmon resonance assay


J Med Chem 59: 671-86 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01552
BindingDB Entry DOI: 10.7270/Q23X88HX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Choline kinase alpha


(Homo sapiens)
BDBM50145919
PNG
(CHEMBL3765610)
Show SMILES CN1CCCN(CC1)c1ccc(CO)cc1
Show InChI InChI=1S/C13H20N2O/c1-14-7-2-8-15(10-9-14)13-5-3-12(11-16)4-6-13/h3-6,16H,2,7-11H2,1H3
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n/an/an/a 1.94E+5n/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human N-terminal truncated ChoKalpha1 (75 to 457 residues) by surface plasmon resonance assay


J Med Chem 59: 671-86 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01552
BindingDB Entry DOI: 10.7270/Q23X88HX
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50145921
PNG
(CHEMBL3763196)
Show SMILES O=C(N1CCNCC1)N1CCCCCC1
Show InChI InChI=1S/C11H21N3O/c15-11(14-9-5-12-6-10-14)13-7-3-1-2-4-8-13/h12H,1-10H2
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n/an/an/a 3.40E+5n/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human N-terminal truncated ChoKalpha1 (75 to 457 residues) by surface plasmon resonance assay


J Med Chem 59: 671-86 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01552
BindingDB Entry DOI: 10.7270/Q23X88HX
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50145925
PNG
(CHEMBL3764475)
Show SMILES Nc1cc(ncn1)C(F)(F)F
Show InChI InChI=1S/C5H4F3N3/c6-5(7,8)3-1-4(9)11-2-10-3/h1-2H,(H2,9,10,11)
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n/an/an/a 6.30E+5n/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human N-terminal truncated ChoKalpha1 (75 to 457 residues) by surface plasmon resonance assay


J Med Chem 59: 671-86 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01552
BindingDB Entry DOI: 10.7270/Q23X88HX
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50087653
PNG
(1-{4-[4-(4-amino-1-pyridiniumylmethyl)phenethyl]be...)
Show SMILES [NH2+]=c1ccn(Cc2ccc(CCc3ccc(Cn4ccc(=[NH2+])cc4)cc3)cc2)cc1
Show InChI InChI=1S/C26H26N4/c27-25-11-15-29(16-12-25)19-23-7-3-21(4-8-23)1-2-22-5-9-24(10-6-22)20-30-17-13-26(28)14-18-30/h3-18,27-28H,1-2,19-20H2/p+2
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n/an/a 2.30E+4n/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)


Article DOI: 10.1016/s0960-894x(00)00080-9
BindingDB Entry DOI: 10.7270/Q28C9VGX
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50087654
PNG
(1-{4-[4-(4-cyano-1-pyridiniumylmethyl)phenethyl]be...)
Show SMILES N#Cc1cc[n+](Cc2ccc(CCc3ccc(C[n+]4ccc(cc4)C#N)cc3)cc2)cc1
Show InChI InChI=1S/C28H24N4/c29-19-25-11-15-31(16-12-25)21-27-7-3-23(4-8-27)1-2-24-5-9-28(10-6-24)22-32-17-13-26(20-30)14-18-32/h3-18H,1-2,21-22H2/q+2
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n/an/a>1.00E+6n/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)


Article DOI: 10.1016/s0960-894x(00)00080-9
BindingDB Entry DOI: 10.7270/Q28C9VGX
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50087656
PNG
(4N,4N-diallyl-1-{4-[4-(4-diallylamino-1-pyridinium...)
Show SMILES C=CC[N+](CC=C)=c1ccn(Cc2ccc(CCc3ccc(Cn4ccc(cc4)=[N+](CC=C)CC=C)cc3)cc2)cc1
Show InChI InChI=1S/C38H44N4/c1-5-23-41(24-6-2)37-19-27-39(28-20-37)31-35-15-11-33(12-16-35)9-10-34-13-17-36(18-14-34)32-40-29-21-38(22-30-40)42(25-7-3)26-8-4/h5-8,11-22,27-30H,1-4,9-10,23-26,31-32H2/q+2
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n/an/a 1.70E+4n/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)


Article DOI: 10.1016/s0960-894x(00)00080-9
BindingDB Entry DOI: 10.7270/Q28C9VGX
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)


Article DOI: 10.1016/s0960-894x(00)00080-9
BindingDB Entry DOI: 10.7270/Q28C9VGX
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50087659
PNG
(4N,4N-dimethyl-1-{4-[4-(4-dimethylamino-1-pyridini...)
Show SMILES C[N+](C)=c1ccn(Cc2ccc(CCc3ccc(Cn4ccc(cc4)=[N+](C)C)cc3)cc2)cc1
Show InChI InChI=1S/C30H36N4/c1-31(2)29-15-19-33(20-16-29)23-27-11-7-25(8-12-27)5-6-26-9-13-28(14-10-26)24-34-21-17-30(18-22-34)32(3)4/h7-22H,5-6,23-24H2,1-4H3/q+2
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n/an/a 1.70E+4n/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)


Article DOI: 10.1016/s0960-894x(00)00080-9
BindingDB Entry DOI: 10.7270/Q28C9VGX
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50087661
PNG
(1-{4-[4-(4-hydroxymethyl-1-pyridiniumylmethyl)phen...)
Show SMILES OCc1cc[n+](Cc2ccc(CCc3ccc(C[n+]4ccc(CO)cc4)cc3)cc2)cc1
Show InChI InChI=1S/C28H30N2O2/c31-21-27-11-15-29(16-12-27)19-25-7-3-23(4-8-25)1-2-24-5-9-26(10-6-24)20-30-17-13-28(22-32)14-18-30/h3-18,31-32H,1-2,19-22H2/q+2
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n/an/a 1.00E+5n/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)


Article DOI: 10.1016/s0960-894x(00)00080-9
BindingDB Entry DOI: 10.7270/Q28C9VGX
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50087658
PNG
(1-{4-[4-(4-carboxy-1-pyridiniumylmethyl)phenethyl]...)
Show SMILES OC(=O)c1cc[n+](Cc2ccc(CCc3ccc(C[n+]4ccc(cc4)C(O)=O)cc3)cc2)cc1
Show InChI InChI=1S/C28H24N2O4/c31-27(32)25-11-15-29(16-12-25)19-23-7-3-21(4-8-23)1-2-22-5-9-24(10-6-22)20-30-17-13-26(14-18-30)28(33)34/h3-18H,1-2,19-20H2/p+2
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n/an/a 1.37E+5n/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)


Article DOI: 10.1016/s0960-894x(00)00080-9
BindingDB Entry DOI: 10.7270/Q28C9VGX
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50087663
PNG
(1,2-di[4-(4-tetrahydro-1H-1-pyrrolyl-1-pyridiniumy...)
Show SMILES C(Cc1ccc(Cn2ccc(cc2)=[N+]2CCCC2)cc1)c1ccc(Cn2ccc(cc2)=[N+]2CCCC2)cc1
Show InChI InChI=1S/C34H40N4/c1-2-20-37(19-1)33-15-23-35(24-16-33)27-31-11-7-29(8-12-31)5-6-30-9-13-32(14-10-30)28-36-25-17-34(18-26-36)38-21-3-4-22-38/h7-18,23-26H,1-6,19-22,27-28H2/q+2
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n/an/a 2.00E+4n/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)


Article DOI: 10.1016/s0960-894x(00)00080-9
BindingDB Entry DOI: 10.7270/Q28C9VGX
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50087660
PNG
(1,2-di[4-(4-methyl-1-pyridiniumylmethyl)phenyl]eth...)
Show SMILES Cc1cc[n+](Cc2ccc(CCc3ccc(C[n+]4ccc(C)cc4)cc3)cc2)cc1
Show InChI InChI=1S/C28H30N2/c1-23-13-17-29(18-14-23)21-27-9-5-25(6-10-27)3-4-26-7-11-28(12-8-26)22-30-19-15-24(2)16-20-30/h5-20H,3-4,21-22H2,1-2H3/q+2
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n/an/a 1.00E+5n/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)


Article DOI: 10.1016/s0960-894x(00)00080-9
BindingDB Entry DOI: 10.7270/Q28C9VGX
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50087655
PNG
(1,2-di{4-[4-(1-azepanyl)-1-pyridiniumylmethyl]phen...)
Show SMILES C(Cc1ccc(Cn2ccc(cc2)=[N+]2CCCCCC2)cc1)c1ccc(Cn2ccc(cc2)=[N+]2CCCCCC2)cc1
Show InChI InChI=1S/C38H48N4/c1-2-6-24-41(23-5-1)37-19-27-39(28-20-37)31-35-15-11-33(12-16-35)9-10-34-13-17-36(18-14-34)32-40-29-21-38(22-30-40)42-25-7-3-4-8-26-42/h11-22,27-30H,1-10,23-26,31-32H2/q+2
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n/an/a 1.50E+4n/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)


Article DOI: 10.1016/s0960-894x(00)00080-9
BindingDB Entry DOI: 10.7270/Q28C9VGX
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50131883
PNG
(Bis-pyridinium cyclophane | CHEMBL341537)
Show SMILES C1N[c+]2ccn(Cc3cccc(Cn4cc[c+](NCc5ccc1cc5)cc4)c3)cc2
Show InChI InChI=1S/C26H26N4/c1-2-23-16-24(3-1)20-30-14-10-26(11-15-30)28-18-22-6-4-21(5-7-22)17-27-25-8-12-29(19-23)13-9-25/h1-16,27-28H,17-20H2/q+2
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n/an/a 2.48E+4n/an/an/an/an/an/a



Universidad de Granada

Curated by ChEMBL


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


J Med Chem 46: 3754-7 (2003)


Article DOI: 10.1021/jm030792i
BindingDB Entry DOI: 10.7270/Q2GQ6X5W
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


J Med Chem 46: 3754-7 (2003)


Article DOI: 10.1021/jm030792i
BindingDB Entry DOI: 10.7270/Q2GQ6X5W
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50131886
PNG
(Bis-pyridinium cyclophane | CHEMBL121973)
Show SMILES C1N[c+]2ccn(Cc3cccc(Cn4cc[c+](NCc5cccc1c5)cc4)c3)cc2
Show InChI InChI=1S/C26H26N4/c1-3-21-15-22(4-1)18-28-26-9-13-30(14-10-26)20-24-6-2-5-23(16-24)19-29-11-7-25(8-12-29)27-17-21/h1-16,27-28H,17-20H2/q+2
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n/an/a 1.32E+4n/an/an/an/an/an/a



Universidad de Granada

Curated by ChEMBL


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


J Med Chem 46: 3754-7 (2003)


Article DOI: 10.1021/jm030792i
BindingDB Entry DOI: 10.7270/Q2GQ6X5W
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


J Med Chem 46: 3754-7 (2003)


Article DOI: 10.1021/jm030792i
BindingDB Entry DOI: 10.7270/Q2GQ6X5W
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


J Med Chem 46: 3754-7 (2003)


Article DOI: 10.1021/jm030792i
BindingDB Entry DOI: 10.7270/Q2GQ6X5W
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50154640
PNG
(4-hexahydro-1-pyridinyl-1-[4-(4-hexahydro-1-pyridi...)
Show SMILES C(c1ccc(Cn2ccc(cc2)=[N+]2CCCCC2)cc1)n1ccc(cc1)=[N+]1CCCCC1
Show InChI InChI=1S/C28H36N4/c1-3-15-31(16-4-1)27-11-19-29(20-12-27)23-25-7-9-26(10-8-25)24-30-21-13-28(14-22-30)32-17-5-2-6-18-32/h7-14,19-22H,1-6,15-18,23-24H2/q+2
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n/an/a 3.77E+4n/an/an/an/an/an/a



Universidad de Grenada

Curated by ChEMBL


Assay Description
Inhibitory activity against human choline kinase enzyme


J Med Chem 47: 5433-40 (2004)


Article DOI: 10.1021/jm0496537
BindingDB Entry DOI: 10.7270/Q22V2FM2
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


J Med Chem 47: 5433-40 (2004)


Article DOI: 10.1021/jm0496537
BindingDB Entry DOI: 10.7270/Q22V2FM2
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50154641
PNG
(4-tetrahydro-1H-1-pyrrolyl-1-[2-(4-tetrahydro-1H-1...)
Show SMILES C(C1CC1Cn1ccc(cc1)=[N+]1CCCC1)n1ccc(cc1)=[N+]1CCCC1
Show InChI InChI=1S/C23H32N4/c1-2-10-26(9-1)22-5-13-24(14-6-22)18-20-17-21(20)19-25-15-7-23(8-16-25)27-11-3-4-12-27/h5-8,13-16,20-21H,1-4,9-12,17-19H2/q+2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidad de Grenada

Curated by ChEMBL


Assay Description
Inhibitory activity against human choline kinase enzyme


J Med Chem 47: 5433-40 (2004)


Article DOI: 10.1021/jm0496537
BindingDB Entry DOI: 10.7270/Q22V2FM2
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


J Med Chem 47: 5433-40 (2004)


Article DOI: 10.1021/jm0496537
BindingDB Entry DOI: 10.7270/Q22V2FM2
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50154645
PNG
(4-tetrahydro-1H-1-pyrrolyl-1-[3-(4-tetrahydro-1H-1...)
Show SMILES C(c1cccc(Cn2ccc(cc2)=[N+]2CCCC2)c1)n1ccc(cc1)=[N+]1CCCC1
Show InChI InChI=1S/C26H32N4/c1-2-13-29(12-1)25-8-16-27(17-9-25)21-23-6-5-7-24(20-23)22-28-18-10-26(11-19-28)30-14-3-4-15-30/h5-11,16-20H,1-4,12-15,21-22H2/q+2
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n/an/a 8.42E+4n/an/an/an/an/an/a



Universidad de Grenada

Curated by ChEMBL


Assay Description
Inhibitory activity against human choline kinase enzyme


J Med Chem 47: 5433-40 (2004)


Article DOI: 10.1021/jm0496537
BindingDB Entry DOI: 10.7270/Q22V2FM2
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


J Med Chem 47: 5433-40 (2004)


Article DOI: 10.1021/jm0496537
BindingDB Entry DOI: 10.7270/Q22V2FM2
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50154649
PNG
(4-hexahydro-1-pyridinyl-1-[2-(4-hexahydro-1-pyridi...)
Show SMILES C(c1cccc(Cn2ccc(cc2)=[N+]2CCCCC2)c1)n1ccc(cc1)=[N+]1CCCCC1
Show InChI InChI=1S/C28H36N4/c1-3-14-31(15-4-1)27-10-18-29(19-11-27)23-25-8-7-9-26(22-25)24-30-20-12-28(13-21-30)32-16-5-2-6-17-32/h7-13,18-22H,1-6,14-17,23-24H2/q+2
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n/an/a 5.28E+4n/an/an/an/an/an/a



Universidad de Grenada

Curated by ChEMBL


Assay Description
Inhibitory activity against human choline kinase enzyme


J Med Chem 47: 5433-40 (2004)


Article DOI: 10.1021/jm0496537
BindingDB Entry DOI: 10.7270/Q22V2FM2
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


J Med Chem 47: 5433-40 (2004)


Article DOI: 10.1021/jm0496537
BindingDB Entry DOI: 10.7270/Q22V2FM2
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


J Med Chem 47: 5433-40 (2004)


Article DOI: 10.1021/jm0496537
BindingDB Entry DOI: 10.7270/Q22V2FM2
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50154648
PNG
(4N-methyl-4N-phenyl-1-[2-(4-methylanilino-1-pyridi...)
Show SMILES C[N+](c1ccccc1)=c1ccn(CC2CC2Cn2ccc(cc2)=[N+](C)c2ccccc2)cc1
Show InChI InChI=1S/C29H32N4/c1-30(26-9-5-3-6-10-26)28-13-17-32(18-14-28)22-24-21-25(24)23-33-19-15-29(16-20-33)31(2)27-11-7-4-8-12-27/h3-20,24-25H,21-23H2,1-2H3/q+2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidad de Grenada

Curated by ChEMBL


Assay Description
Inhibitory activity against human choline kinase enzyme


J Med Chem 47: 5433-40 (2004)


Article DOI: 10.1021/jm0496537
BindingDB Entry DOI: 10.7270/Q22V2FM2
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens)
BDBM50154652
PNG
(4-tetrahydro-1H-1-pyrrolyl-1-[4-(4-tetrahydro-1H-1...)
Show SMILES C(c1ccc(Cn2ccc(cc2)=[N+]2CCCC2)cc1)n1ccc(cc1)=[N+]1CCCC1
Show InChI InChI=1S/C26H32N4/c1-2-14-29(13-1)25-9-17-27(18-10-25)21-23-5-7-24(8-6-23)22-28-19-11-26(12-20-28)30-15-3-4-16-30/h5-12,17-20H,1-4,13-16,21-22H2/q+2
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n/an/a 2.40E+4n/an/an/an/an/an/a



Universidad de Grenada

Curated by ChEMBL


Assay Description
Inhibitory activity against human choline kinase enzyme


J Med Chem 47: 5433-40 (2004)


Article DOI: 10.1021/jm0496537
BindingDB Entry DOI: 10.7270/Q22V2FM2
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


J Med Chem 47: 5433-40 (2004)


Article DOI: 10.1021/jm0496537
BindingDB Entry DOI: 10.7270/Q22V2FM2
More data for this
Ligand-Target Pair
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