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14 molecules are shown

Wt: 481.5
BDBM50214442
Wt: 341.3
BDBM50214444
Wt: 428.4
BDBM50214445
Wt: 327.3
BDBM50214446
Wt: 483.5
BDBM50214447
Wt: 387.3
BDBM50214448
Wt: 450.4
BDBM50214449
Wt: 341.3
BDBM50214458
Wt: 328.3
BDBM50214459
Wt: 498.5
BDBM50214461
Wt: 428.4
BDBM50214462
Wt: 398.4
BDBM50214471
Wt: 302.3
BDBM50214472
Wt: 384.3
BDBM50214473

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50214442,50214444,50214445,50214446,50214447,50214448,50214449,50214458,50214459,50214461,50214462,50214471,50214472,50214473   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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)


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


(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


(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


(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


(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


(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


(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


(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


(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


(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


(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


(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


(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


(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


(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