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Compile Data Set for Download or QSAR

Found 39 hits Enz. Inhib. hit(s) with all data for entry = 50020484   
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
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50214466
PNG
(CHEMBL398149 | N-(3-(8-cyano-4-(cyclopropylamino)p...)
Show SMILES CC(=O)Nc1cccc(Nc2nc(NC3CC3)n3ncc(C#N)c3n2)c1
Show InChI InChI=1S/C17H16N8O/c1-10(26)20-13-3-2-4-14(7-13)21-16-23-15-11(8-18)9-19-25(15)17(24-16)22-12-5-6-12/h2-4,7,9,12H,5-6H2,1H3,(H,20,26)(H2,21,22,23,24)
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0.260n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CK2 alpha


Bioorg Med Chem Lett 17: 4191-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.041
BindingDB Entry DOI: 10.7270/Q23778D9
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50214473
PNG
(CHEMBL230354 | N-(3-(8-CYANO-4-(PHENYLAMINO)PYRAZO...)
Show SMILES CC(=O)Nc1cccc(Nc2nc(Nc3ccccc3)n3ncc(C#N)c3n2)c1
Show InChI InChI=1S/C20H16N8O/c1-13(29)23-16-8-5-9-17(10-16)24-19-26-18-14(11-21)12-22-28(18)20(27-19)25-15-6-3-2-4-7-15/h2-10,12H,1H3,(H,23,29)(H2,24,25,26,27)
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0.350n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CK2 alpha


Bioorg Med Chem Lett 17: 4191-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.041
BindingDB Entry DOI: 10.7270/Q23778D9
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50214454
PNG
(CHEMBL230462 | N-(3-(8-cyano-4-(cyclobutylamino)py...)
Show SMILES CC(=O)Nc1cccc(Nc2nc(NC3CCC3)n3ncc(C#N)c3n2)c1
Show InChI InChI=1S/C18H18N8O/c1-11(27)21-14-6-3-7-15(8-14)22-17-24-16-12(9-19)10-20-26(16)18(25-17)23-13-4-2-5-13/h3,6-8,10,13H,2,4-5H2,1H3,(H,21,27)(H2,22,23,24,25)
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1.90n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CK2 alpha


Bioorg Med Chem Lett 17: 4191-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.041
BindingDB Entry DOI: 10.7270/Q23778D9
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50214444
PNG
(2-(p-toluidino)-4-(phenylamino)pyrazolo[1,5-a][1,3...)
Show SMILES Cc1ccc(Nc2nc(Nc3ccccc3)n3ncc(C#N)c3n2)cc1
Show InChI InChI=1S/C19H15N7/c1-13-7-9-16(10-8-13)22-18-24-17-14(11-20)12-21-26(17)19(25-18)23-15-5-3-2-4-6-15/h2-10,12H,1H3,(H2,22,23,24,25)
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5n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CK2 alpha


Bioorg Med Chem Lett 17: 4191-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.041
BindingDB Entry DOI: 10.7270/Q23778D9
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50214465
PNG
(2-(4-chlorobenzylamino)-4-(phenylamino)pyrazolo[1,...)
Show SMILES Clc1ccc(CNc2nc(Nc3ccccc3)n3ncc(C#N)c3n2)cc1
Show InChI InChI=1S/C19H14ClN7/c20-15-8-6-13(7-9-15)11-22-18-25-17-14(10-21)12-23-27(17)19(26-18)24-16-4-2-1-3-5-16/h1-9,12H,11H2,(H2,22,24,25,26)
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5n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CK2 alpha


Bioorg Med Chem Lett 17: 4191-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.041
BindingDB Entry DOI: 10.7270/Q23778D9
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50214477
PNG
(4-(phenylamino)-2-(4-(pyridin-2-yl)piperazin-1-yl)...)
Show SMILES N#Cc1cnn2c(Nc3ccccc3)nc(nc12)N1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C21H19N9/c22-14-16-15-24-30-19(16)26-20(27-21(30)25-17-6-2-1-3-7-17)29-12-10-28(11-13-29)18-8-4-5-9-23-18/h1-9,15H,10-13H2,(H,25,26,27)
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7n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CK2 alpha


Bioorg Med Chem Lett 17: 4191-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.041
BindingDB Entry DOI: 10.7270/Q23778D9
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50214474
PNG
(CHEMBL230353 | N-(3-(8-cyano-4-(phenethylamino)pyr...)
Show SMILES CC(=O)Nc1cccc(Nc2nc(NCCc3ccccc3)n3ncc(C#N)c3n2)c1
Show InChI InChI=1S/C22H20N8O/c1-15(31)26-18-8-5-9-19(12-18)27-21-28-20-17(13-23)14-25-30(20)22(29-21)24-11-10-16-6-3-2-4-7-16/h2-9,12,14H,10-11H2,1H3,(H,26,31)(H2,24,27,28,29)
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8n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CK2 alpha


Bioorg Med Chem Lett 17: 4191-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.041
BindingDB Entry DOI: 10.7270/Q23778D9
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50214460
PNG
(2-(CYCLOHEXYLMETHYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[...)
Show SMILES N#Cc1cnn2c(Nc3ccccc3)nc(NCC3CCCCC3)nc12
Show InChI InChI=1S/C19H21N7/c20-11-15-13-22-26-17(15)24-18(21-12-14-7-3-1-4-8-14)25-19(26)23-16-9-5-2-6-10-16/h2,5-6,9-10,13-14H,1,3-4,7-8,12H2,(H2,21,23,24,25)
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8n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CK2 alpha


Bioorg Med Chem Lett 17: 4191-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.041
BindingDB Entry DOI: 10.7270/Q23778D9
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50214448
PNG
(2-(3,4-dimethoxyphenylamino)-4-(phenylamino)pyrazo...)
Show SMILES COc1ccc(Nc2nc(Nc3ccccc3)n3ncc(C#N)c3n2)cc1OC
Show InChI InChI=1S/C20H17N7O2/c1-28-16-9-8-15(10-17(16)29-2)23-19-25-18-13(11-21)12-22-27(18)20(26-19)24-14-6-4-3-5-7-14/h3-10,12H,1-2H3,(H2,23,24,25,26)
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9n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CK2 alpha


Bioorg Med Chem Lett 17: 4191-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.041
BindingDB Entry DOI: 10.7270/Q23778D9
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50214450
PNG
(2-(3,4-dihydroisoquinolin-2(1H)-yl)-4-(phenylamino...)
Show SMILES N#Cc1cnn2c(Nc3ccccc3)nc(nc12)N1CCc2ccccc2C1
Show InChI InChI=1S/C21H17N7/c22-12-17-13-23-28-19(17)25-20(26-21(28)24-18-8-2-1-3-9-18)27-11-10-15-6-4-5-7-16(15)14-27/h1-9,13H,10-11,14H2,(H,24,25,26)
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11n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CK2 alpha


Bioorg Med Chem Lett 17: 4191-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.041
BindingDB Entry DOI: 10.7270/Q23778D9
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50214464
PNG
(CHEMBL230568 | N-(3-(8-methyl-4-(phenylamino)pyraz...)
Show SMILES CC(=O)Nc1cccc(Nc2nc(Nc3ccccc3)n3ncc(C)c3n2)c1
Show InChI InChI=1S/C20H19N7O/c1-13-12-21-27-18(13)25-19(26-20(27)24-15-7-4-3-5-8-15)23-17-10-6-9-16(11-17)22-14(2)28/h3-12H,1-2H3,(H,22,28)(H2,23,24,25,26)
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11n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CK2 alpha


Bioorg Med Chem Lett 17: 4191-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.041
BindingDB Entry DOI: 10.7270/Q23778D9
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50214457
PNG
(2-(2,3-dihydro-1H-inden-2-ylamino)-4-(phenylamino)...)
Show SMILES N#Cc1cnn2c(Nc3ccccc3)nc(NC3Cc4ccccc4C3)nc12
Show InChI InChI=1S/C21H17N7/c22-12-16-13-23-28-19(16)26-20(27-21(28)25-17-8-2-1-3-9-17)24-18-10-14-6-4-5-7-15(14)11-18/h1-9,13,18H,10-11H2,(H2,24,25,26,27)
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12n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CK2 alpha


Bioorg Med Chem Lett 17: 4191-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.041
BindingDB Entry DOI: 10.7270/Q23778D9
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50214453
PNG
(2-(isopentylamino)-4-(phenylamino)pyrazolo[1,5-a][...)
Show SMILES CC(C)CCNc1nc(Nc2ccccc2)n2ncc(C#N)c2n1
Show InChI InChI=1S/C17H19N7/c1-12(2)8-9-19-16-22-15-13(10-18)11-20-24(15)17(23-16)21-14-6-4-3-5-7-14/h3-7,11-12H,8-9H2,1-2H3,(H2,19,21,22,23)
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13n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CK2 alpha


Bioorg Med Chem Lett 17: 4191-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.041
BindingDB Entry DOI: 10.7270/Q23778D9
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50214468
PNG
(4-(phenylamino)-2-(pyrrolidin-1-yl)pyrazolo[1,5-a]...)
Show SMILES N#Cc1cnn2c(Nc3ccccc3)nc(nc12)N1CCCC1
Show InChI InChI=1S/C16H15N7/c17-10-12-11-18-23-14(12)20-15(22-8-4-5-9-22)21-16(23)19-13-6-2-1-3-7-13/h1-3,6-7,11H,4-5,8-9H2,(H,19,20,21)
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14n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CK2 alpha


Bioorg Med Chem Lett 17: 4191-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.041
BindingDB Entry DOI: 10.7270/Q23778D9
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50214446
PNG
(2,4-bis(phenylamino)pyrazolo[1,5-a][1,3,5]triazine...)
Show SMILES N#Cc1cnn2c(Nc3ccccc3)nc(Nc3ccccc3)nc12
Show InChI InChI=1S/C18H13N7/c19-11-13-12-20-25-16(13)23-17(21-14-7-3-1-4-8-14)24-18(25)22-15-9-5-2-6-10-15/h1-10,12H,(H2,21,22,23,24)
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15n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CK2 alpha


Bioorg Med Chem Lett 17: 4191-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.041
BindingDB Entry DOI: 10.7270/Q23778D9
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50214443
PNG
(CHEMBL230673 | N-(3-(8-bromo-4-(cyclopropylamino)p...)
Show SMILES CC(=O)Nc1cccc(Nc2nc(NC3CC3)n3ncc(Br)c3n2)c1
Show InChI InChI=1S/C16H16BrN7O/c1-9(25)19-11-3-2-4-12(7-11)20-15-22-14-13(17)8-18-24(14)16(23-15)21-10-5-6-10/h2-4,7-8,10H,5-6H2,1H3,(H,19,25)(H2,20,21,22,23)
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17n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CK2 alpha


Bioorg Med Chem Lett 17: 4191-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.041
BindingDB Entry DOI: 10.7270/Q23778D9
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50214471
PNG
(2-(4-(diethylamino)phenylamino)-4-(phenylamino)pyr...)
Show SMILES CCN(CC)c1ccc(Nc2nc(Nc3ccccc3)n3ncc(C#N)c3n2)cc1
Show InChI InChI=1S/C22H22N8/c1-3-29(4-2)19-12-10-18(11-13-19)25-21-27-20-16(14-23)15-24-30(20)22(28-21)26-17-8-6-5-7-9-17/h5-13,15H,3-4H2,1-2H3,(H2,25,26,27,28)
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23n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CK2 alpha


Bioorg Med Chem Lett 17: 4191-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.041
BindingDB Entry DOI: 10.7270/Q23778D9
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Zea mays (Maize))
BDBM50214446
PNG
(2,4-bis(phenylamino)pyrazolo[1,5-a][1,3,5]triazine...)
Show SMILES N#Cc1cnn2c(Nc3ccccc3)nc(Nc3ccccc3)nc12
Show InChI InChI=1S/C18H13N7/c19-11-13-12-20-25-16(13)23-17(21-14-7-3-1-4-8-14)24-18(25)22-15-9-5-2-6-10-15/h1-10,12H,(H2,21,22,23,24)
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24n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of corn CK2 alpha


Bioorg Med Chem Lett 17: 4191-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.041
BindingDB Entry DOI: 10.7270/Q23778D9
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50214452
PNG
(2-(4-ETHYLPIPERAZIN-1-YL)-4-(PHENYLAMINO)PYRAZOLO[...)
Show SMILES CCN1CCN(CC1)c1nc(Nc2ccccc2)n2ncc(C#N)c2n1
Show InChI InChI=1S/C18H20N8/c1-2-24-8-10-25(11-9-24)17-22-16-14(12-19)13-20-26(16)18(23-17)21-15-6-4-3-5-7-15/h3-7,13H,2,8-11H2,1H3,(H,21,22,23)
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24n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CK2 alpha


Bioorg Med Chem Lett 17: 4191-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.041
BindingDB Entry DOI: 10.7270/Q23778D9
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50214451
PNG
(CHEMBL230463 | N-(3-(4-(cyclopropylamino)-8-methyl...)
Show SMILES CC(=O)Nc1cccc(Nc2nc(NC3CC3)n3ncc(C)c3n2)c1
Show InChI InChI=1S/C17H19N7O/c1-10-9-18-24-15(10)22-16(23-17(24)21-12-6-7-12)20-14-5-3-4-13(8-14)19-11(2)25/h3-5,8-9,12H,6-7H2,1-2H3,(H,19,25)(H2,20,21,22,23)
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35n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CK2 alpha


Bioorg Med Chem Lett 17: 4191-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.041
BindingDB Entry DOI: 10.7270/Q23778D9
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50214470
PNG
(2-(1H-imidazol-2-ylamino)-4-(phenylamino)pyrazolo[...)
Show SMILES N#Cc1cnn2c(Nc3ccccc3)nc(Nc3ncc[nH]3)nc12
Show InChI InChI=1S/C15H11N9/c16-8-10-9-19-24-12(10)21-14(22-13-17-6-7-18-13)23-15(24)20-11-4-2-1-3-5-11/h1-7,9H,(H3,17,18,20,21,22,23)
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45n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CK2 alpha


Bioorg Med Chem Lett 17: 4191-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.041
BindingDB Entry DOI: 10.7270/Q23778D9
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50214478
PNG
(2-(benzyl(methyl)amino)-4-(phenylamino)pyrazolo[1,...)
Show SMILES CN(Cc1ccccc1)c1nc(Nc2ccccc2)n2ncc(C#N)c2n1
Show InChI InChI=1S/C20H17N7/c1-26(14-15-8-4-2-5-9-15)19-24-18-16(12-21)13-22-27(18)20(25-19)23-17-10-6-3-7-11-17/h2-11,13H,14H2,1H3,(H,23,24,25)
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55n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CK2 alpha


Bioorg Med Chem Lett 17: 4191-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.041
BindingDB Entry DOI: 10.7270/Q23778D9
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50214445
PNG
(3-(2-(3-acetamidophenylamino)-8-cyanopyrazolo[1,5-...)
Show SMILES CC(=O)Nc1cccc(Nc2nc(Nc3cccc(c3)C(O)=O)n3ncc(C#N)c3n2)c1
Show InChI InChI=1S/C21H16N8O3/c1-12(30)24-16-6-3-7-17(9-16)25-20-27-18-14(10-22)11-23-29(18)21(28-20)26-15-5-2-4-13(8-15)19(31)32/h2-9,11H,1H3,(H,24,30)(H,31,32)(H2,25,26,27,28)
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95n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CK2 alpha


Bioorg Med Chem Lett 17: 4191-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.041
BindingDB Entry DOI: 10.7270/Q23778D9
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50214479
PNG
(2-(1H-imidazol-1-yl)-4-(phenylamino)pyrazolo[1,5-a...)
Show SMILES N#Cc1cnn2c(Nc3ccccc3)nc(nc12)-n1ccnc1
Show InChI InChI=1S/C15H10N8/c16-8-11-9-18-23-13(11)20-14(22-7-6-17-10-22)21-15(23)19-12-4-2-1-3-5-12/h1-7,9-10H,(H,19,20,21)
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126n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CK2 alpha


Bioorg Med Chem Lett 17: 4191-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.041
BindingDB Entry DOI: 10.7270/Q23778D9
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50214456
PNG
(2-(p-toluidino)-4-(phenethylamino)pyrazolo[1,5-a][...)
Show SMILES Cc1ccc(Nc2nc(NCCc3ccccc3)n3ncc(C#N)c3n2)cc1
Show InChI InChI=1S/C21H19N7/c1-15-7-9-18(10-8-15)25-20-26-19-17(13-22)14-24-28(19)21(27-20)23-12-11-16-5-3-2-4-6-16/h2-10,14H,11-12H2,1H3,(H2,23,25,26,27)
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137n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CK2 alpha


Bioorg Med Chem Lett 17: 4191-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.041
BindingDB Entry DOI: 10.7270/Q23778D9
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50214475
PNG
(4-(2-(1H-IMIDAZOL-4-YL)ETHYLAMINO)-2-(PHENYLAMINO)...)
Show SMILES N#Cc1cnn2c(NCCc3cnc[nH]3)nc(Nc3ccccc3)nc12
Show InChI InChI=1S/C17H15N9/c18-8-12-9-22-26-15(12)24-16(23-13-4-2-1-3-5-13)25-17(26)20-7-6-14-10-19-11-21-14/h1-5,9-11H,6-7H2,(H,19,21)(H2,20,23,24,25)
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137n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CK2 alpha


Bioorg Med Chem Lett 17: 4191-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.041
BindingDB Entry DOI: 10.7270/Q23778D9
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50214459
PNG
(4-(phenylamino)-2-(pyridin-3-ylamino)pyrazolo[1,5-...)
Show SMILES N#Cc1cnn2c(Nc3ccccc3)nc(Nc3cccnc3)nc12
Show InChI InChI=1S/C17H12N8/c18-9-12-10-20-25-15(12)23-16(21-14-7-4-8-19-11-14)24-17(25)22-13-5-2-1-3-6-13/h1-8,10-11H,(H2,21,22,23,24)
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168n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CK2 alpha


Bioorg Med Chem Lett 17: 4191-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.041
BindingDB Entry DOI: 10.7270/Q23778D9
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50214449
PNG
(CHEMBL398170 | N-(3-(8-cyano-4-(3-(difluoromethoxy...)
Show SMILES CC(=O)Nc1cccc(Nc2nc(Nc3cccc(OC(F)F)c3)n3ncc(C#N)c3n2)c1
Show InChI InChI=1S/C21H16F2N8O2/c1-12(32)26-14-4-2-5-15(8-14)27-20-29-18-13(10-24)11-25-31(18)21(30-20)28-16-6-3-7-17(9-16)33-19(22)23/h2-9,11,19H,1H3,(H,26,32)(H2,27,28,29,30)
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190n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CK2 alpha


Bioorg Med Chem Lett 17: 4191-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.041
BindingDB Entry DOI: 10.7270/Q23778D9
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50214462
PNG
(CHEMBL230987 | N-(3-(8-cyano-4-(3-ethoxyphenylamin...)
Show SMILES CCOc1cccc(Nc2nc(Nc3cccc(NC(C)=O)c3)nc3c(cnn23)C#N)c1
Show InChI InChI=1S/C22H20N8O2/c1-3-32-19-9-5-8-18(11-19)27-22-29-21(28-20-15(12-23)13-24-30(20)22)26-17-7-4-6-16(10-17)25-14(2)31/h4-11,13H,3H2,1-2H3,(H,25,31)(H2,26,27,28,29)
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190n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CK2 alpha


Bioorg Med Chem Lett 17: 4191-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.041
BindingDB Entry DOI: 10.7270/Q23778D9
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50214461
PNG
(3-(2-(3-acetamidophenylamino)-8-cyanopyrazolo[1,5-...)
Show SMILES CN(C)CCNC(=O)c1cccc(Nc2nc(Nc3cccc(NC(C)=O)c3)nc3c(cnn23)C#N)c1
Show InChI InChI=1S/C25H26N10O2/c1-16(36)29-20-8-5-9-21(13-20)30-24-32-22-18(14-26)15-28-35(22)25(33-24)31-19-7-4-6-17(12-19)23(37)27-10-11-34(2)3/h4-9,12-13,15H,10-11H2,1-3H3,(H,27,37)(H,29,36)(H2,30,31,32,33)
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190n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CK2 alpha


Bioorg Med Chem Lett 17: 4191-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.041
BindingDB Entry DOI: 10.7270/Q23778D9
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50214455
PNG
(CHEMBL395968 | N-(3-(8-cyano-4-(4-(piperazin-1-ylm...)
Show SMILES CC(=O)Nc1cccc(Nc2nc(Nc3ccc(CN4CCNCC4)cc3)n3ncc(C#N)c3n2)c1
Show InChI InChI=1S/C25H26N10O/c1-17(36)29-21-3-2-4-22(13-21)30-24-32-23-19(14-26)15-28-35(23)25(33-24)31-20-7-5-18(6-8-20)16-34-11-9-27-10-12-34/h2-8,13,15,27H,9-12,16H2,1H3,(H,29,36)(H2,30,31,32,33)
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210n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CK2 alpha


Bioorg Med Chem Lett 17: 4191-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.041
BindingDB Entry DOI: 10.7270/Q23778D9
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Zea mays (Maize))
BDBM50214458
PNG
(2-(methyl(phenyl)amino)-4-(phenylamino)pyrazolo[1,...)
Show SMILES CN(c1ccccc1)c1nc(Nc2ccccc2)n2ncc(C#N)c2n1
Show InChI InChI=1S/C19H15N7/c1-25(16-10-6-3-7-11-16)18-23-17-14(12-20)13-21-26(17)19(24-18)22-15-8-4-2-5-9-15/h2-11,13H,1H3,(H,22,23,24)
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242n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of corn CK2 alpha


Bioorg Med Chem Lett 17: 4191-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.041
BindingDB Entry DOI: 10.7270/Q23778D9
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Zea mays (Maize))
BDBM50214472
PNG
(CHEMBL231095 | N,N'-DIPHENYLPYRAZOLO[1,5-A][1,3,5]...)
Show SMILES N(c1ccccc1)c1nc(Nc2ccccc2)n2nccc2n1
Show InChI InChI=1S/C17H14N6/c1-3-7-13(8-4-1)19-16-21-15-11-12-18-23(15)17(22-16)20-14-9-5-2-6-10-14/h1-12H,(H2,19,20,21,22)
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260n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of corn CK2 alpha


Bioorg Med Chem Lett 17: 4191-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.041
BindingDB Entry DOI: 10.7270/Q23778D9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50214447
PNG
(3-(2-(3-acetamidophenylamino)-8-cyanopyrazolo[1,5-...)
Show SMILES CCN(CC)C(=O)c1cccc(Nc2nc(Nc3cccc(NC(C)=O)c3)nc3c(cnn23)C#N)c1
Show InChI InChI=1S/C25H25N9O2/c1-4-33(5-2)23(36)17-8-6-9-19(12-17)30-25-32-24(31-22-18(14-26)15-27-34(22)25)29-21-11-7-10-20(13-21)28-16(3)35/h6-13,15H,4-5H2,1-3H3,(H,28,35)(H2,29,30,31,32)
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370n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CK2 alpha


Bioorg Med Chem Lett 17: 4191-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.041
BindingDB Entry DOI: 10.7270/Q23778D9
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50214469
PNG
(CHEMBL230779 | N-(3-(8-cyano-4-(4-((diethylamino)m...)
Show SMILES CCN(CC)Cc1ccc(Nc2nc(Nc3cccc(NC(C)=O)c3)nc3c(cnn23)C#N)cc1
Show InChI InChI=1S/C25H27N9O/c1-4-33(5-2)16-18-9-11-20(12-10-18)30-25-32-24(31-23-19(14-26)15-27-34(23)25)29-22-8-6-7-21(13-22)28-17(3)35/h6-13,15H,4-5,16H2,1-3H3,(H,28,35)(H2,29,30,31,32)
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500n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CK2 alpha


Bioorg Med Chem Lett 17: 4191-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.041
BindingDB Entry DOI: 10.7270/Q23778D9
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50214463
PNG
(CHEMBL230674 | N-(3-(8-cyano-4-(3-(diethylamino)ph...)
Show SMILES CCN(CC)c1cccc(Nc2nc(Nc3cccc(NC(C)=O)c3)nc3c(cnn23)C#N)c1
Show InChI InChI=1S/C24H25N9O/c1-4-32(5-2)21-11-7-10-20(13-21)29-24-31-23(30-22-17(14-25)15-26-33(22)24)28-19-9-6-8-18(12-19)27-16(3)34/h6-13,15H,4-5H2,1-3H3,(H,27,34)(H2,28,29,30,31)
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550n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CK2 alpha


Bioorg Med Chem Lett 17: 4191-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.041
BindingDB Entry DOI: 10.7270/Q23778D9
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50214442
PNG
(CHEMBL397923 | N-(3-(8-cyano-4-(3-(pyrrolidine-1-c...)
Show SMILES CC(=O)Nc1cccc(Nc2nc(Nc3cccc(c3)C(=O)N3CCCC3)n3ncc(C#N)c3n2)c1
Show InChI InChI=1S/C25H23N9O2/c1-16(35)28-20-8-5-9-21(13-20)29-24-31-22-18(14-26)15-27-34(22)25(32-24)30-19-7-4-6-17(12-19)23(36)33-10-2-3-11-33/h4-9,12-13,15H,2-3,10-11H2,1H3,(H,28,35)(H2,29,30,31,32)
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700n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CK2 alpha


Bioorg Med Chem Lett 17: 4191-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.041
BindingDB Entry DOI: 10.7270/Q23778D9
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50214476
PNG
(CHEMBL230569 | N-(3-(4-(cyclopropylamino)-8-ethylp...)
Show SMILES CCc1cnn2c(NC3CC3)nc(Nc3cccc(NC(C)=O)c3)nc12
Show InChI InChI=1S/C18H21N7O/c1-3-12-10-19-25-16(12)23-17(24-18(25)22-13-7-8-13)21-15-6-4-5-14(9-15)20-11(2)26/h4-6,9-10,13H,3,7-8H2,1-2H3,(H,20,26)(H2,21,22,23,24)
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2.00E+3n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CK2 alpha


Bioorg Med Chem Lett 17: 4191-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.041
BindingDB Entry DOI: 10.7270/Q23778D9
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50214467
PNG
(4-(phenethylamino)-2-(pyridin-3-ylamino)pyrazolo[1...)
Show SMILES N#Cc1cnn2c(NCCc3ccccc3)nc(Nc3cccnc3)nc12
Show InChI InChI=1S/C19H16N8/c20-11-15-12-23-27-17(15)25-18(24-16-7-4-9-21-13-16)26-19(27)22-10-8-14-5-2-1-3-6-14/h1-7,9,12-13H,8,10H2,(H2,22,24,25,26)
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3.40E+3n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CK2 alpha


Bioorg Med Chem Lett 17: 4191-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.041
BindingDB Entry DOI: 10.7270/Q23778D9
More data for this
Ligand-Target Pair