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Compile Data Set for Download or QSAR

Found 3519 hits Enz. Inhib. hit(s) with Target = 'Casein Kinase II'   
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


(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)

More data for this
Ligand-Target Pair
Casein Kinase II


(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)

More data for this
Ligand-Target Pair
Casein Kinase II


(Zea mays (Maize))
BDBM50374656
PNG
(CHEMBL401544)
Show SMILES O=C(N1CCNCC1)c1cccc(Nc2nc3Nc4cccc(NC(=O)CCCCc5cnn2c5n3)c4)c1
Show InChI InChI=1S/C27H29N9O2/c37-23-10-2-1-5-19-17-29-36-24(19)33-26(31-22-9-4-8-21(16-22)30-23)34-27(36)32-20-7-3-6-18(15-20)25(38)35-13-11-28-12-14-35/h3-4,6-9,15-17,28H,1-2,5,10-14H2,(H,30,37)(H2,31,32,33,34)
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0.800n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of corn CK2


Bioorg Med Chem Lett 18: 619-23 (2008)

More data for this
Ligand-Target Pair
Casein Kinase II


(Bos taurus (bovine))
BDBM21447
PNG
(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1
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>1n/an/an/an/an/an/an/an/a



Institut de Chimie des Substances Naturelles

Curated by ChEMBL


Assay Description
Binding affinity to bovine beta-casein A1


Bioorg Med Chem 22: 4474-89 (2014)

More data for this
Ligand-Target Pair
Casein Kinase II


(Zea mays (Maize))
BDBM50374653
PNG
(CHEMBL271020)
Show SMILES CN1CCN(CC1)C(=O)c1cccc(Nc2nc3Nc4cccc(NC(=O)CCCCc5cnn2c5n3)c4)c1
Show InChI InChI=1S/C28H31N9O2/c1-35-12-14-36(15-13-35)26(39)19-7-4-8-21(16-19)32-28-34-27-31-23-10-5-9-22(17-23)30-24(38)11-3-2-6-20-18-29-37(28)25(20)33-27/h4-5,7-10,16-18H,2-3,6,11-15H2,1H3,(H,30,38)(H2,31,32,33,34)
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1.30n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of corn CK2


Bioorg Med Chem Lett 18: 619-23 (2008)

More data for this
Ligand-Target Pair
Casein Kinase II


(Zea mays (Maize))
BDBM50374654
PNG
(CHEMBL271645)
Show SMILES CN(C1CCN(C)CC1)C(=O)c1cccc(Nc2nc3Nc4cccc(NC(=O)CCCCc5cnn2c5n3)c4)c1
Show InChI InChI=1S/C30H35N9O2/c1-37-15-13-25(14-16-37)38(2)28(41)20-8-5-9-22(17-20)34-30-36-29-33-24-11-6-10-23(18-24)32-26(40)12-4-3-7-21-19-31-39(30)27(21)35-29/h5-6,8-11,17-19,25H,3-4,7,12-16H2,1-2H3,(H,32,40)(H2,33,34,35,36)
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1.40n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of corn CK2


Bioorg Med Chem Lett 18: 619-23 (2008)

More data for this
Ligand-Target Pair
Casein Kinase II


(Zea mays (Maize))
BDBM50374662
PNG
(CHEMBL256401)
Show SMILES CN(C)C1CCN(C1)C(=O)c1cccc(Nc2nc3Nc4cccc(NC(=O)CCCCc5cnn2c5n3)c4)c1
Show InChI InChI=1S/C29H33N9O2/c1-36(2)24-13-14-37(18-24)27(40)19-8-5-9-21(15-19)33-29-35-28-32-23-11-6-10-22(16-23)31-25(39)12-4-3-7-20-17-30-38(29)26(20)34-28/h5-6,8-11,15-17,24H,3-4,7,12-14,18H2,1-2H3,(H,31,39)(H2,32,33,34,35)
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1.40n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of corn CK2


Bioorg Med Chem Lett 18: 619-23 (2008)

More data for this
Ligand-Target Pair
Casein Kinase II


(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)

More data for this
Ligand-Target Pair
Casein Kinase II


(Zea mays (Maize))
BDBM50374658
PNG
(CHEMBL401614)
Show SMILES CN(C1CCN(C)C1)C(=O)c1cccc(Nc2nc3Nc4cccc(NC(=O)CCCCc5cnn2c5n3)c4)c1
Show InChI InChI=1S/C29H33N9O2/c1-36-14-13-24(18-36)37(2)27(40)19-8-5-9-21(15-19)33-29-35-28-32-23-11-6-10-22(16-23)31-25(39)12-4-3-7-20-17-30-38(29)26(20)34-28/h5-6,8-11,15-17,24H,3-4,7,12-14,18H2,1-2H3,(H,31,39)(H2,32,33,34,35)
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2n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of corn CK2


Bioorg Med Chem Lett 18: 619-23 (2008)

More data for this
Ligand-Target Pair
Casein Kinase II


(Zea mays (Maize))
BDBM50374651
PNG
(CHEMBL257219)
Show SMILES CCN(CC)C1CCN(C1)C(=O)c1cccc(Nc2nc3Nc4cccc(NC(=O)CCCCc5cnn2c5n3)c4)c1
Show InChI InChI=1S/C31H37N9O2/c1-3-38(4-2)26-15-16-39(20-26)29(42)21-10-7-11-23(17-21)35-31-37-30-34-25-13-8-12-24(18-25)33-27(41)14-6-5-9-22-19-32-40(31)28(22)36-30/h7-8,10-13,17-19,26H,3-6,9,14-16,20H2,1-2H3,(H,33,41)(H2,34,35,36,37)
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2.20n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of corn CK2


Bioorg Med Chem Lett 18: 619-23 (2008)

More data for this
Ligand-Target Pair
Casein Kinase II


(Zea mays (Maize))
BDBM50374655
PNG
(CHEMBL401945)
Show SMILES CCN(CC)CCN(C)C(=O)c1cccc(Nc2nc3Nc4cccc(NC(=O)CCCCc5cnn2c5n3)c4)c1
Show InChI InChI=1S/C30H37N9O2/c1-4-38(5-2)17-16-37(3)28(41)21-11-8-12-23(18-21)34-30-36-29-33-25-14-9-13-24(19-25)32-26(40)15-7-6-10-22-20-31-39(30)27(22)35-29/h8-9,11-14,18-20H,4-7,10,15-17H2,1-3H3,(H,32,40)(H2,33,34,35,36)
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2.40n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of corn CK2


Bioorg Med Chem Lett 18: 619-23 (2008)

More data for this
Ligand-Target Pair
Casein Kinase II


(Zea mays (Maize))
BDBM50374657
PNG
(CHEMBL257736)
Show SMILES CCN(CC)C1CN(C1)C(=O)c1cccc(Nc2nc3Nc4cccc(NC(=O)CCCCc5cnn2c5n3)c4)c1
Show InChI InChI=1S/C30H35N9O2/c1-3-37(4-2)25-18-38(19-25)28(41)20-10-7-11-22(15-20)34-30-36-29-33-24-13-8-12-23(16-24)32-26(40)14-6-5-9-21-17-31-39(30)27(21)35-29/h7-8,10-13,15-17,25H,3-6,9,14,18-19H2,1-2H3,(H,32,40)(H2,33,34,35,36)
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3.40n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of corn CK2


Bioorg Med Chem Lett 18: 619-23 (2008)

More data for this
Ligand-Target Pair
Casein Kinase II


(Zea mays (Maize))
BDBM50374660
PNG
(CHEMBL256189)
Show SMILES OC1CN(C1)C(=O)c1cccc(Nc2nc3Nc4cccc(NC(=O)CCCCc5cnn2c5n3)c4)c1
Show InChI InChI=1S/C26H26N8O3/c35-21-14-33(15-21)24(37)16-6-3-7-18(11-16)30-26-32-25-29-20-9-4-8-19(12-20)28-22(36)10-2-1-5-17-13-27-34(26)23(17)31-25/h3-4,6-9,11-13,21,35H,1-2,5,10,14-15H2,(H,28,36)(H2,29,30,31,32)
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3.60n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of corn CK2


Bioorg Med Chem Lett 18: 619-23 (2008)

More data for this
Ligand-Target Pair
Casein Kinase II


(Zea mays (Maize))
BDBM50374659
PNG
(CHEMBL402246)
Show SMILES CN(C)CCN(C)C(=O)c1cccc(Nc2nc3Nc4cccc(NC(=O)CCCCc5cnn2c5n3)c4)c1
Show InChI InChI=1S/C28H33N9O2/c1-35(2)14-15-36(3)26(39)19-9-6-10-21(16-19)32-28-34-27-31-23-12-7-11-22(17-23)30-24(38)13-5-4-8-20-18-29-37(28)25(20)33-27/h6-7,9-12,16-18H,4-5,8,13-15H2,1-3H3,(H,30,38)(H2,31,32,33,34)
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4n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of corn CK2


Bioorg Med Chem Lett 18: 619-23 (2008)

More data for this
Ligand-Target Pair
Casein Kinase II


(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)

More data for this
Ligand-Target Pair
Casein Kinase II


(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)

More data for this
Ligand-Target Pair
Casein Kinase II


(Zea mays (Maize))
BDBM50374661
PNG
(CHEMBL402306)
Show SMILES CN(C)CCNC(=O)c1cccc(Nc2nc3Nc4cccc(NC(=O)CCCCc5cnn2c5n3)c4)c1
Show InChI InChI=1S/C27H31N9O2/c1-35(2)14-13-28-25(38)18-8-5-9-20(15-18)32-27-34-26-31-22-11-6-10-21(16-22)30-23(37)12-4-3-7-19-17-29-36(27)24(19)33-26/h5-6,8-11,15-17H,3-4,7,12-14H2,1-2H3,(H,28,38)(H,30,37)(H2,31,32,33,34)
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5.20n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of corn CK2


Bioorg Med Chem Lett 18: 619-23 (2008)

More data for this
Ligand-Target Pair
Casein Kinase II


(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)

More data for this
Ligand-Target Pair
Casein Kinase II


(Zea mays (Maize))
BDBM50374652
PNG
(CHEMBL271848)
Show SMILES CN1CC(C1)NC(=O)c1cccc(Nc2nc3Nc4cccc(NC(=O)CCCCc5cnn2c5n3)c4)c1
Show InChI InChI=1S/C27H29N9O2/c1-35-15-22(16-35)30-25(38)17-7-4-8-19(12-17)32-27-34-26-31-21-10-5-9-20(13-21)29-23(37)11-3-2-6-18-14-28-36(27)24(18)33-26/h4-5,7-10,12-14,22H,2-3,6,11,15-16H2,1H3,(H,29,37)(H,30,38)(H2,31,32,33,34)
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7.40n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of corn CK2


Bioorg Med Chem Lett 18: 619-23 (2008)

More data for this
Ligand-Target Pair
Casein Kinase II


(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)

More data for this
Ligand-Target Pair
Casein Kinase II


(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)

More data for this
Ligand-Target Pair
Casein Kinase II


(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)

More data for this
Ligand-Target Pair
Casein Kinase II


(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)

More data for this
Ligand-Target Pair
Casein Kinase II


(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)

More data for this
Ligand-Target Pair
Casein Kinase II


(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)

More data for this
Ligand-Target Pair
Casein Kinase II


(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)

More data for this
Ligand-Target Pair
Casein Kinase II


(Homo sapiens (human))
BDBM50359842
PNG
(CHEMBL1928905)
Show SMILES Cn1c(SCC(O)=O)nc2c(Br)c(Br)c(Br)c(Br)c12
Show InChI InChI=1S/C10H6Br4N2O2S/c1-16-9-7(14)5(12)4(11)6(13)8(9)15-10(16)19-2-3(17)18/h2H2,1H3,(H,17,18)
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13n/an/an/an/an/an/an/an/a



The John Paul II Catholic University of Lublin

Curated by ChEMBL


Assay Description
Inhibition of human CK2 alpha catalytic subunit expressed in Escherichia coli BL21 (DE3) assessed as [33P]gamma-ATP incorporation into RRRADDSDDDDD s...


Eur J Med Chem 47: 345-50 (2012)

More data for this
Ligand-Target Pair
Casein Kinase II


(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)

More data for this
Ligand-Target Pair
Casein Kinase II


(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)

More data for this
Ligand-Target Pair
Casein Kinase II


(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)

More data for this
Ligand-Target Pair
Casein Kinase II


(Rattus norvegicus (Rat))
BDBM34046
PNG
(iodinated benzimidazole, 9a)
Show SMILES CCc1nc2c(I)c(I)c(I)c(I)c2[nH]1
Show InChI InChI=1S/C9H6I4N2/c1-2-3-14-8-6(12)4(10)5(11)7(13)9(8)15-3/h2H2,1H3,(H,14,15)
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19 -45.8n/an/an/an/an/a7.537



University of Padova



Assay Description
Inhibitory effect of test compound was assessed in reaction buffer containing purified CK2, synthetic peptide substrate, and [gamma-33P]ATP. Assays w...


Bioorg Med Chem 17: 7281-9 (2009)

More data for this
Ligand-Target Pair
Casein kinase II


(Homo sapiens (Human))
BDBM50359846
PNG
(CHEMBL1233807)
Show SMILES CN(C)c1nc2c(Br)c(Br)c(Br)c(Br)c2n1CC(O)=O
Show InChI InChI=1S/C11H9Br4N3O2/c1-17(2)11-16-9-7(14)5(12)6(13)8(15)10(9)18(11)3-4(19)20/h3H2,1-2H3,(H,19,20)
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21n/an/an/an/an/an/an/an/a



The John Paul II Catholic University of Lublin

Curated by ChEMBL


Assay Description
Inhibition of human CK2 alpha' catalytic subunit expressed in Escherichia coli BE21 (DE3) assessed as [33P]gamma-ATP incorporation into RRRADDSDDDDD ...


Eur J Med Chem 47: 345-50 (2012)

More data for this
Ligand-Target Pair
Casein kinase II


(Homo sapiens (Human))
BDBM34038
PNG
(4,5,6,7-tetraiodobenzimidazole (TIBI), 1a)
Show SMILES Ic1c(I)c(I)c2[nH]cnc2c1I
Show InChI InChI=1S/C7H2I4N2/c8-2-3(9)5(11)7-6(4(2)10)12-1-13-7/h1H,(H,12,13)
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21n/an/an/an/an/an/an/an/a



The John Paul II Catholic University of Lublin

Curated by ChEMBL


Assay Description
Inhibition of human CK2 alpha' catalytic subunit expressed in Escherichia coli BE21 (DE3) assessed as [33P]gamma-ATP incorporation into RRRADDSDDDDD ...


Eur J Med Chem 47: 345-50 (2012)

More data for this
Ligand-Target Pair
Casein Kinase II


(Rattus norvegicus (Rat))
BDBM34038
PNG
(4,5,6,7-tetraiodobenzimidazole (TIBI), 1a)
Show SMILES Ic1c(I)c(I)c2[nH]cnc2c1I
Show InChI InChI=1S/C7H2I4N2/c8-2-3(9)5(11)7-6(4(2)10)12-1-13-7/h1H,(H,12,13)
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23 -45.4n/an/an/an/an/a7.537



University of Padova



Assay Description
Inhibitory effect of test compound was assessed in reaction buffer containing purified CK2, synthetic peptide substrate, and [gamma-33P]ATP. Assays w...


Bioorg Med Chem 17: 7281-9 (2009)

More data for this
Ligand-Target Pair
Casein Kinase II


(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)

More data for this
Ligand-Target Pair
Casein Kinase II


(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)

More data for this
Ligand-Target Pair
Casein Kinase II


(Rattus norvegicus (Rat))
BDBM34044
PNG
(iodinated benzimidazole, 7a)
Show SMILES Cc1nc2c(I)c(I)c(I)c(I)c2[nH]1
Show InChI InChI=1S/C8H4I4N2/c1-2-13-7-5(11)3(9)4(10)6(12)8(7)14-2/h1H3,(H,13,14)
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24 -45.2n/an/an/an/an/a7.537



University of Padova



Assay Description
Inhibitory effect of test compound was assessed in reaction buffer containing purified CK2, synthetic peptide substrate, and [gamma-33P]ATP. Assays w...


Bioorg Med Chem 17: 7281-9 (2009)

More data for this
Ligand-Target Pair
Casein Kinase II


(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)

More data for this
Ligand-Target Pair
Casein Kinase II


(Zea mays (Maize))
BDBM50374663
PNG
(CHEMBL404508)
Show SMILES O=C1CCCCc2cnn3c(NC4CC4)nc(Nc4cccc(N1)c4)nc23
Show InChI InChI=1S/C19H21N7O/c27-16-7-2-1-4-12-11-20-26-17(12)24-18(25-19(26)23-13-8-9-13)22-15-6-3-5-14(10-15)21-16/h3,5-6,10-11,13H,1-2,4,7-9H2,(H,21,27)(H2,22,23,24,25)
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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


Bioorg Med Chem Lett 18: 619-23 (2008)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase II


(Homo sapiens (Human))
BDBM50359842
PNG
(CHEMBL1928905)
Show SMILES Cn1c(SCC(O)=O)nc2c(Br)c(Br)c(Br)c(Br)c12
Show InChI InChI=1S/C10H6Br4N2O2S/c1-16-9-7(14)5(12)4(11)6(13)8(9)15-10(16)19-2-3(17)18/h2H2,1H3,(H,17,18)
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24n/an/an/an/an/an/an/an/a



The John Paul II Catholic University of Lublin

Curated by ChEMBL


Assay Description
Inhibition of human CK2 alpha' catalytic subunit expressed in Escherichia coli BE21 (DE3) assessed as [33P]gamma-ATP incorporation into RRRADDSDDDDD ...


Eur J Med Chem 47: 345-50 (2012)

More data for this
Ligand-Target Pair
Casein Kinase II


(Rattus norvegicus (Rat))
BDBM34051
PNG
(iodinated benzimidazole, 14)
Show SMILES OCCNc1nc2c(I)c(I)c(I)c(I)c2[nH]1
Show InChI InChI=1S/C9H7I4N3O/c10-3-4(11)6(13)8-7(5(3)12)15-9(16-8)14-1-2-17/h17H,1-2H2,(H2,14,15,16)
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27 -44.9n/an/an/an/an/a7.537



University of Padova



Assay Description
Inhibitory effect of test compound was assessed in reaction buffer containing purified CK2, synthetic peptide substrate, and [gamma-33P]ATP. Assays w...


Bioorg Med Chem 17: 7281-9 (2009)

More data for this
Ligand-Target Pair
Casein kinase II


(Homo sapiens (Human))
BDBM50359840
PNG
(CHEMBL1928903)
Show SMILES OC(=O)CCSc1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1
Show InChI InChI=1S/C10H6Br4N2O2S/c11-4-5(12)7(14)9-8(6(4)13)15-10(16-9)19-2-1-3(17)18/h1-2H2,(H,15,16)(H,17,18)
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31n/an/an/an/an/an/an/an/a



The John Paul II Catholic University of Lublin

Curated by ChEMBL


Assay Description
Inhibition of human CK2 alpha' catalytic subunit expressed in Escherichia coli BE21 (DE3) assessed as [33P]gamma-ATP incorporation into RRRADDSDDDDD ...


Eur J Med Chem 47: 345-50 (2012)

More data for this
Ligand-Target Pair
Casein kinase II


(Homo sapiens (Human))
BDBM50156680
PNG
(2-(dimethylamino)-1-methyl-4,5,6,7-tetrabromo-1Hbe...)
Show SMILES CN(C)c1nc2c(Br)c(Br)c(Br)c(Br)c2n1C
Show InChI InChI=1S/C10H9Br4N3/c1-16(2)10-15-8-6(13)4(11)5(12)7(14)9(8)17(10)3/h1-3H3
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35n/an/an/an/an/an/an/an/a



The John Paul II Catholic University of Lublin

Curated by ChEMBL


Assay Description
Inhibition of human CK2 alpha' catalytic subunit expressed in Escherichia coli BE21 (DE3) assessed as [33P]gamma-ATP incorporation into RRRADDSDDDDD ...


Eur J Med Chem 47: 345-50 (2012)

More data for this
Ligand-Target Pair
Casein Kinase II


(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)

More data for this
Ligand-Target Pair
Casein kinase II


(Homo sapiens (Human))
BDBM50359840
PNG
(CHEMBL1928903)
Show SMILES OC(=O)CCSc1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1
Show InChI InChI=1S/C10H6Br4N2O2S/c11-4-5(12)7(14)9-8(6(4)13)15-10(16-9)19-2-1-3(17)18/h1-2H2,(H,15,16)(H,17,18)
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35n/an/an/an/an/an/an/an/a



The John Paul II Catholic University of Lublin

Curated by ChEMBL


Assay Description
Inhibition of human CK2 alpha' catalytic subunit expressed in Escherichia coli BL21 (DE3) assessed as [33P]gamma-ATP incorporation into P2B substrate...


Eur J Med Chem 47: 345-50 (2012)

More data for this
Ligand-Target Pair
Casein kinase II


(Homo sapiens (Human))
BDBM50156673
PNG
(((4,5,6,7-tetrabromo-1H-benzimidazol-2-yl)sulfanyl...)
Show SMILES OC(=O)CSc1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1
Show InChI InChI=1S/C9H4Br4N2O2S/c10-3-4(11)6(13)8-7(5(3)12)14-9(15-8)18-1-2(16)17/h1H2,(H,14,15)(H,16,17)
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37n/an/an/an/an/an/an/an/a



The John Paul II Catholic University of Lublin

Curated by ChEMBL


Assay Description
Inhibition of human CK2 alpha' catalytic subunit expressed in Escherichia coli BL21 (DE3) assessed as [33P]gamma-ATP incorporation into P2B substrate...


Eur J Med Chem 47: 345-50 (2012)

More data for this
Ligand-Target Pair
Casein Kinase II


(Homo sapiens (human))
BDBM50156670
PNG
(2-(dimethylamino)-4,5,6,7-tetrabromo-1H-benzimidaz...)
Show SMILES CN(C)c1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1
Show InChI InChI=1S/C9H7Br4N3/c1-16(2)9-14-7-5(12)3(10)4(11)6(13)8(7)15-9/h1-2H3,(H,14,15)
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40n/an/an/an/an/an/an/an/a



Warsaw University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to CK2alpha (unknown origin)


Eur J Med Chem 84: 364-74 (2014)

More data for this
Ligand-Target Pair
Casein Kinase II


(Homo sapiens (human))
BDBM34038
PNG
(4,5,6,7-tetraiodobenzimidazole (TIBI), 1a)
Show SMILES Ic1c(I)c(I)c2[nH]cnc2c1I
Show InChI InChI=1S/C7H2I4N2/c8-2-3(9)5(11)7-6(4(2)10)12-1-13-7/h1H,(H,12,13)
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43n/an/an/an/an/an/an/an/a



The John Paul II Catholic University of Lublin

Curated by ChEMBL


Assay Description
Inhibition of human CK2 alpha catalytic subunit expressed in Escherichia coli BL21 (DE3) assessed as [33P]gamma-ATP incorporation into RRRADDSDDDDD s...


Eur J Med Chem 47: 345-50 (2012)

More data for this
Ligand-Target Pair
Casein kinase II


(Homo sapiens (Human))
BDBM50359841
PNG
(CHEMBL1928904)
Show SMILES OC(=O)CCCSc1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1
Show InChI InChI=1S/C11H8Br4N2O2S/c12-5-6(13)8(15)10-9(7(5)14)16-11(17-10)20-3-1-2-4(18)19/h1-3H2,(H,16,17)(H,18,19)
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44n/an/an/an/an/an/an/an/a



The John Paul II Catholic University of Lublin

Curated by ChEMBL


Assay Description
Inhibition of human CK2 alpha' catalytic subunit expressed in Escherichia coli BE21 (DE3) assessed as [33P]gamma-ATP incorporation into RRRADDSDDDDD ...


Eur J Med Chem 47: 345-50 (2012)

More data for this
Ligand-Target Pair
Casein Kinase II


(Homo sapiens (human))
BDBM50156669
PNG
(4,5,6,7-TETRABROMO-BENZIMIDAZOLE | 4,5,6,7-tetrabr...)
Show SMILES Brc1c(Br)c(Br)c2[nH]cnc2c1Br
Show InChI InChI=1S/C7H2Br4N2/c8-2-3(9)5(11)7-6(4(2)10)12-1-13-7/h1H,(H,12,13)
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45n/an/an/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of human wild type CK2alpha


Citation and Details
More data for this
Ligand-Target Pair
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