Compile Data Set for Download or QSAR
Found 18 Enz. Inhib. hit(s) with all data for entry = 50012318
TargetCholine kinase alpha(Homo sapiens (Human))
Campus Cartuja S/n. University of Granada

Curated by ChEMBL
LigandPNGBDBM50556491(CHEMBL4784458)
Show SMILES [Br-].Clc1ccc2c(cc[n+](Cc3ccc(cc3)-c3ccccc3)c2c1)N1CCCCCC1
Show InChI InChI=1S/C28H28ClN2.BrH/c29-25-14-15-26-27(30-17-6-1-2-7-18-30)16-19-31(28(26)20-25)21-22-10-12-24(13-11-22)23-8-4-3-5-9-23;/h3-5,8-16,19-20H,1-2,6-7,17-18,21H2;1H/q+1;/p-1
Affinity DataIC50: 6.74E+3nMAssay Description:Inhibition of human CKalpha1 assessed as reduction in 14C incorporation from [methyl-14C]choline to phosphatidylcholine using [methyl-14C]choline as ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCholine kinase alpha(Homo sapiens (Human))
Campus Cartuja S/n. University of Granada

Curated by ChEMBL
LigandPNGBDBM50556492(CHEMBL4747352)
Show SMILES [Br-].CN(c1ccccc1)c1cc[n+](Cc2ccc(cc2)-c2ccccc2)c2cc(Cl)ccc12
Show InChI InChI=1S/C29H24ClN2.BrH/c1-31(26-10-6-3-7-11-26)28-18-19-32(29-20-25(30)16-17-27(28)29)21-22-12-14-24(15-13-22)23-8-4-2-5-9-23;/h2-20H,21H2,1H3;1H/q+1;/p-1
Affinity DataIC50: 1.26E+4nMAssay Description:Inhibition of human CKalpha1 assessed as reduction in 14C incorporation from [methyl-14C]choline to phosphatidylcholine using [methyl-14C]choline as ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCholine kinase alpha(Homo sapiens (Human))
Campus Cartuja S/n. University of Granada

Curated by ChEMBL
LigandPNGBDBM50556488(CHEMBL4756022)
Show SMILES [Br-].CN(c1ccccc1)c1cc[n+](Cc2ccccc2)c2cc(Cl)ccc12
Show InChI InChI=1S/C23H20ClN2.BrH/c1-25(20-10-6-3-7-11-20)22-14-15-26(17-18-8-4-2-5-9-18)23-16-19(24)12-13-21(22)23;/h2-16H,17H2,1H3;1H/q+1;/p-1
Affinity DataKd:  890nMAssay Description:Binding affinity to human CKalpha1 assessed as dissociation constant by spectroflurometryMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCholine kinase alpha(Homo sapiens (Human))
Campus Cartuja S/n. University of Granada

Curated by ChEMBL
LigandPNGBDBM50556489(CHEMBL4755703)
Show SMILES [Br-].CN(C)c1cc[n+](Cc2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C20H21N2.BrH/c1-21(2)20-12-14-22(15-13-20)16-17-8-10-19(11-9-17)18-6-4-3-5-7-18;/h3-15H,16H2,1-2H3;1H/q+1;/p-1
Affinity DataKd:  1.70E+3nMAssay Description:Binding affinity to human CKalpha1 assessed as dissociation constant by spectroflurometryMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCholine kinase alpha(Homo sapiens (Human))
Campus Cartuja S/n. University of Granada

Curated by ChEMBL
LigandPNGBDBM50556490(CHEMBL4748826)
Show SMILES [Br-].C(c1ccc(cc1)-c1ccccc1)[n+]1ccc(cc1)N1CCCC1
Show InChI InChI=1S/C22H23N2.BrH/c1-2-6-20(7-3-1)21-10-8-19(9-11-21)18-23-16-12-22(13-17-23)24-14-4-5-15-24;/h1-3,6-13,16-17H,4-5,14-15,18H2;1H/q+1;/p-1
Affinity DataKd:  670nMAssay Description:Binding affinity to human CKalpha1 assessed as dissociation constant by spectroflurometryMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCholine kinase alpha(Homo sapiens (Human))
Campus Cartuja S/n. University of Granada

Curated by ChEMBL
LigandPNGBDBM50556491(CHEMBL4784458)
Show SMILES [Br-].Clc1ccc2c(cc[n+](Cc3ccc(cc3)-c3ccccc3)c2c1)N1CCCCCC1
Show InChI InChI=1S/C28H28ClN2.BrH/c29-25-14-15-26-27(30-17-6-1-2-7-18-30)16-19-31(28(26)20-25)21-22-10-12-24(13-11-22)23-8-4-3-5-9-23;/h3-5,8-16,19-20H,1-2,6-7,17-18,21H2;1H/q+1;/p-1
Affinity DataKd:  370nMAssay Description:Binding affinity to human CKalpha1 assessed as dissociation constant by spectroflurometryMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCholine kinase alpha(Homo sapiens (Human))
Campus Cartuja S/n. University of Granada

Curated by ChEMBL
LigandPNGBDBM50556492(CHEMBL4747352)
Show SMILES [Br-].CN(c1ccccc1)c1cc[n+](Cc2ccc(cc2)-c2ccccc2)c2cc(Cl)ccc12
Show InChI InChI=1S/C29H24ClN2.BrH/c1-31(26-10-6-3-7-11-26)28-18-19-32(29-20-25(30)16-17-27(28)29)21-22-12-14-24(15-13-22)23-8-4-2-5-9-23;/h2-20H,21H2,1H3;1H/q+1;/p-1
Affinity DataKd:  185nMAssay Description:Binding affinity to human CKalpha1 assessed as dissociation constant by spectroflurometryMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCholine kinase alpha(Homo sapiens (Human))
Campus Cartuja S/n. University of Granada

Curated by ChEMBL
LigandPNGBDBM50556493(CHEMBL3561645)
Show SMILES CN(C)c1ccncc1
Show InChI InChI=1S/C7H10N2/c1-9(2)7-3-5-8-6-4-7/h3-6H,1-2H3
Affinity DataKd:  3.50E+4nMAssay Description:Binding affinity to human CKalpha1 assessed as dissociation constant by spectroflurometryMore data for this Ligand-Target Pair
TargetCholine kinase alpha(Homo sapiens (Human))
Campus Cartuja S/n. University of Granada

Curated by ChEMBL
LigandPNGBDBM50556494(CHEMBL4754833)
Show SMILES C1CCN(C1)c1ccncc1
Show InChI InChI=1S/C9H12N2/c1-2-8-11(7-1)9-3-5-10-6-4-9/h3-6H,1-2,7-8H2
Affinity DataKd:  4.90E+4nMAssay Description:Binding affinity to human CKalpha1 assessed as dissociation constant by spectroflurometryMore data for this Ligand-Target Pair
TargetCholine kinase alpha(Homo sapiens (Human))
Campus Cartuja S/n. University of Granada

Curated by ChEMBL
LigandPNGBDBM50556495(CHEMBL4796843)
Show SMILES Clc1ccc2c(ccnc2c1)N1CCCCCC1
Show InChI InChI=1S/C15H17ClN2/c16-12-5-6-13-14(11-12)17-8-7-15(13)18-9-3-1-2-4-10-18/h5-8,11H,1-4,9-10H2
Affinity DataKd:  4.50E+4nMAssay Description:Binding affinity to human CKalpha1 assessed as dissociation constant by spectroflurometryMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCholine kinase alpha(Homo sapiens (Human))
Campus Cartuja S/n. University of Granada

Curated by ChEMBL
LigandPNGBDBM50556496(CHEMBL4776753)
Show SMILES CN(c1ccccc1)c1ccnc2cc(Cl)ccc12
Show InChI InChI=1S/C16H13ClN2/c1-19(13-5-3-2-4-6-13)16-9-10-18-15-11-12(17)7-8-14(15)16/h2-11H,1H3
Affinity DataKd:  8.20E+4nMAssay Description:Binding affinity to human CKalpha1 assessed as dissociation constant by spectroflurometryMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCholine/ethanolamine kinase(Homo sapiens (Human))
Campus Cartuja S/n. University of Granada

Curated by ChEMBL
LigandPNGBDBM50556487(CHEMBL4763249)
Show SMILES [Br-].Clc1ccc2c(cc[n+](Cc3ccccc3)c2c1)N1CCCCCC1
Show InChI InChI=1S/C22H24ClN2.BrH/c23-19-10-11-20-21(24-13-6-1-2-7-14-24)12-15-25(22(20)16-19)17-18-8-4-3-5-9-18;/h3-5,8-12,15-16H,1-2,6-7,13-14,17H2;1H/q+1;/p-1
Affinity DataKd:  3.30E+4nMAssay Description:Binding affinity to human CKbeta assessed as dissociation constant by spectroflurometryMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCholine/ethanolamine kinase(Homo sapiens (Human))
Campus Cartuja S/n. University of Granada

Curated by ChEMBL
LigandPNGBDBM50556488(CHEMBL4756022)
Show SMILES [Br-].CN(c1ccccc1)c1cc[n+](Cc2ccccc2)c2cc(Cl)ccc12
Show InChI InChI=1S/C23H20ClN2.BrH/c1-25(20-10-6-3-7-11-20)22-14-15-26(17-18-8-4-2-5-9-18)23-16-19(24)12-13-21(22)23;/h2-16H,17H2,1H3;1H/q+1;/p-1
Affinity DataKd:  3.60E+4nMAssay Description:Binding affinity to human CKbeta assessed as dissociation constant by spectroflurometryMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCholine/ethanolamine kinase(Homo sapiens (Human))
Campus Cartuja S/n. University of Granada

Curated by ChEMBL
LigandPNGBDBM50556491(CHEMBL4784458)
Show SMILES [Br-].Clc1ccc2c(cc[n+](Cc3ccc(cc3)-c3ccccc3)c2c1)N1CCCCCC1
Show InChI InChI=1S/C28H28ClN2.BrH/c29-25-14-15-26-27(30-17-6-1-2-7-18-30)16-19-31(28(26)20-25)21-22-10-12-24(13-11-22)23-8-4-3-5-9-23;/h3-5,8-16,19-20H,1-2,6-7,17-18,21H2;1H/q+1;/p-1
Affinity DataKd:  6.30E+4nMAssay Description:Binding affinity to human CKbeta assessed as dissociation constant by spectroflurometryMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCholine/ethanolamine kinase(Homo sapiens (Human))
Campus Cartuja S/n. University of Granada

Curated by ChEMBL
LigandPNGBDBM50556492(CHEMBL4747352)
Show SMILES [Br-].CN(c1ccccc1)c1cc[n+](Cc2ccc(cc2)-c2ccccc2)c2cc(Cl)ccc12
Show InChI InChI=1S/C29H24ClN2.BrH/c1-31(26-10-6-3-7-11-26)28-18-19-32(29-20-25(30)16-17-27(28)29)21-22-12-14-24(15-13-22)23-8-4-2-5-9-23;/h2-20H,21H2,1H3;1H/q+1;/p-1
Affinity DataKd:  2.00E+4nMAssay Description:Binding affinity to human CKbeta assessed as dissociation constant by spectroflurometryMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCholine kinase alpha(Homo sapiens (Human))
Campus Cartuja S/n. University of Granada

Curated by ChEMBL
LigandPNGBDBM50556487(CHEMBL4763249)
Show SMILES [Br-].Clc1ccc2c(cc[n+](Cc3ccccc3)c2c1)N1CCCCCC1
Show InChI InChI=1S/C22H24ClN2.BrH/c23-19-10-11-20-21(24-13-6-1-2-7-14-24)12-15-25(22(20)16-19)17-18-8-4-3-5-9-18;/h3-5,8-12,15-16H,1-2,6-7,13-14,17H2;1H/q+1;/p-1
Affinity DataKd:  400nMAssay Description:Binding affinity to human CKalpha1 assessed as dissociation constant by spectroflurometryMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCholine kinase alpha(Homo sapiens (Human))
Campus Cartuja S/n. University of Granada

Curated by ChEMBL
LigandPNGBDBM50556486(CHEMBL1508421)
Show SMILES [Br-].CN(C)c1cc[n+](Cc2ccccc2)cc1
Show InChI InChI=1S/C14H17N2.BrH/c1-15(2)14-8-10-16(11-9-14)12-13-6-4-3-5-7-13;/h3-11H,12H2,1-2H3;1H/q+1;/p-1
Affinity DataKd:  1.40E+4nMAssay Description:Binding affinity to human CKalpha1 assessed as dissociation constant by spectroflurometryMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCholine kinase alpha(Homo sapiens (Human))
Campus Cartuja S/n. University of Granada

Curated by ChEMBL
LigandPNGBDBM50342854(1-Benzyl-4-(pyrrolidin-1-yl)pyridinium Bromide | C...)
Show SMILES C(c1ccccc1)n1ccc(cc1)=[N+]1CCCC1
Show InChI InChI=1S/C16H19N2/c1-2-6-15(7-3-1)14-17-12-8-16(9-13-17)18-10-4-5-11-18/h1-3,6-9,12-13H,4-5,10-11,14H2/q+1
Affinity DataKd:  2.40E+4nMAssay Description:Binding affinity to human CKalpha1 assessed as dissociation constant by spectroflurometryMore data for this Ligand-Target Pair