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8 similar compounds to monomer 50214454

Compile data set for download or QSAR
Wt: 337.3
BDBM50214451
Wt: 455.5
BDBM50214463
Wt: 373.4
BDBM50214464
Wt: 348.3
BDBM50214466
Wt: 384.3
BDBM50214473
Wt: 412.4
BDBM50214474
Wt: 351.4
BDBM50214476
Wt: 363.4
BDBM50374663

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50214451,50214463,50214464,50214466,50214473,50214474,50214476,50374663   
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 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 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 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 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


(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)


Article DOI: 10.1016/j.bmcl.2007.11.074
BindingDB Entry DOI: 10.7270/Q2KD1ZRV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase II 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 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 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