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Compile Data Set for Download or QSAR

Found 36 hits Enz. Inhib. hit(s) with all data for entry = 50009595   
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))
BDBM50530325
PNG
(CHEMBL4458300)
Show SMILES OC(=O)c1ccc(Nc2nc(cs2)-c2cccc(Br)c2)cc1
Show InChI InChI=1S/C16H11BrN2O2S/c17-12-3-1-2-11(8-12)14-9-22-16(19-14)18-13-6-4-10(5-7-13)15(20)21/h1-9H,(H,18,19)(H,20,21)
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700n/an/an/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Mixed-type inhibition of recombinant human GST-tagged CK2alpha in presence of ATP by Lineweaver-Burk plot analysis


J Med Chem 62: 1803-1816 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01766
BindingDB Entry DOI: 10.7270/Q2NS0ZCZ
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50530325
PNG
(CHEMBL4458300)
Show SMILES OC(=O)c1ccc(Nc2nc(cs2)-c2cccc(Br)c2)cc1
Show InChI InChI=1S/C16H11BrN2O2S/c17-12-3-1-2-11(8-12)14-9-22-16(19-14)18-13-6-4-10(5-7-13)15(20)21/h1-9H,(H,18,19)(H,20,21)
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700n/an/an/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Mixed-type inhibition of recombinant human GST-tagged CK2alpha in presence of ATP by Lineweaver-Burk plot analysis


J Med Chem 62: 1803-1816 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01766
BindingDB Entry DOI: 10.7270/Q2NS0ZCZ
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50530338
PNG
(CHEMBL1621959)
Show SMILES OC(=O)c1ccc(Nc2nc(cs2)-c2ccccc2)cc1
Show InChI InChI=1S/C16H12N2O2S/c19-15(20)12-6-8-13(9-7-12)17-16-18-14(10-21-16)11-4-2-1-3-5-11/h1-10H,(H,17,18)(H,19,20)
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1.10E+3n/an/an/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Mixed-type inhibition of recombinant human GST-tagged CK2alpha in presence of ATP by Lineweaver-Burk plot analysis


J Med Chem 62: 1803-1816 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01766
BindingDB Entry DOI: 10.7270/Q2NS0ZCZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50530338
PNG
(CHEMBL1621959)
Show SMILES OC(=O)c1ccc(Nc2nc(cs2)-c2ccccc2)cc1
Show InChI InChI=1S/C16H12N2O2S/c19-15(20)12-6-8-13(9-7-12)17-16-18-14(10-21-16)11-4-2-1-3-5-11/h1-10H,(H,17,18)(H,19,20)
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1.10E+3n/an/an/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Mixed-type inhibition of recombinant human GST-tagged CK2alpha in presence of ATP by Lineweaver-Burk plot analysis


J Med Chem 62: 1803-1816 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01766
BindingDB Entry DOI: 10.7270/Q2NS0ZCZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50530336
PNG
(CHEMBL4462082)
Show SMILES OC(=O)c1ccc(Nc2nc(cs2)-c2cccc(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C16H11N3O4S/c20-15(21)10-4-6-12(7-5-10)17-16-18-14(9-24-16)11-2-1-3-13(8-11)19(22)23/h1-9H,(H,17,18)(H,20,21)
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1.60E+3n/an/an/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Mixed-type inhibition of recombinant human GST-tagged CK2alpha in presence of ATP by Lineweaver-Burk plot analysis


J Med Chem 62: 1803-1816 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01766
BindingDB Entry DOI: 10.7270/Q2NS0ZCZ
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50530336
PNG
(CHEMBL4462082)
Show SMILES OC(=O)c1ccc(Nc2nc(cs2)-c2cccc(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C16H11N3O4S/c20-15(21)10-4-6-12(7-5-10)17-16-18-14(9-24-16)11-2-1-3-13(8-11)19(22)23/h1-9H,(H,17,18)(H,20,21)
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1.60E+3n/an/an/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Mixed-type inhibition of recombinant human GST-tagged CK2alpha in presence of ATP by Lineweaver-Burk plot analysis


J Med Chem 62: 1803-1816 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01766
BindingDB Entry DOI: 10.7270/Q2NS0ZCZ
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))
BDBM50335638
PNG
(5-(3-Chlorophenylamino)benzo[c][2,6]naphthyridine-...)
Show SMILES OC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc21
Show InChI InChI=1S/C19H12ClN3O2/c20-12-2-1-3-13(9-12)22-18-15-6-7-21-10-16(15)14-5-4-11(19(24)25)8-17(14)23-18/h1-10H,(H,22,23)(H,24,25)
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n/an/a 4n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CLK2 in presence of ATP by radiometric filter-binding assay


J Med Chem 62: 1803-1816 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01766
BindingDB Entry DOI: 10.7270/Q2NS0ZCZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity protein kinase CLK2


(Homo sapiens (Human))
BDBM50335638
PNG
(5-(3-Chlorophenylamino)benzo[c][2,6]naphthyridine-...)
Show SMILES OC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc21
Show InChI InChI=1S/C19H12ClN3O2/c20-12-2-1-3-13(9-12)22-18-15-6-7-21-10-16(15)14-5-4-11(19(24)25)8-17(14)23-18/h1-10H,(H,22,23)(H,24,25)
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n/an/a 4n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CLK2 in presence of ATP by radiometric filter-binding assay


J Med Chem 62: 1803-1816 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01766
BindingDB Entry DOI: 10.7270/Q2NS0ZCZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity tyrosine-phosphorylation-regulated kinase 1B


(Homo sapiens (Human))
BDBM50335638
PNG
(5-(3-Chlorophenylamino)benzo[c][2,6]naphthyridine-...)
Show SMILES OC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc21
Show InChI InChI=1S/C19H12ClN3O2/c20-12-2-1-3-13(9-12)22-18-15-6-7-21-10-16(15)14-5-4-11(19(24)25)8-17(14)23-18/h1-10H,(H,22,23)(H,24,25)
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n/an/a 6.40n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DYRK1B in presence of ATP by radiometric filter-binding assay


J Med Chem 62: 1803-1816 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01766
BindingDB Entry DOI: 10.7270/Q2NS0ZCZ
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B


(Homo sapiens (Human))
BDBM50335638
PNG
(5-(3-Chlorophenylamino)benzo[c][2,6]naphthyridine-...)
Show SMILES OC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc21
Show InChI InChI=1S/C19H12ClN3O2/c20-12-2-1-3-13(9-12)22-18-15-6-7-21-10-16(15)14-5-4-11(19(24)25)8-17(14)23-18/h1-10H,(H,22,23)(H,24,25)
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n/an/a 6.40n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DYRK1B in presence of ATP by radiometric filter-binding assay


J Med Chem 62: 1803-1816 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01766
BindingDB Entry DOI: 10.7270/Q2NS0ZCZ
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50335638
PNG
(5-(3-Chlorophenylamino)benzo[c][2,6]naphthyridine-...)
Show SMILES OC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc21
Show InChI InChI=1S/C19H12ClN3O2/c20-12-2-1-3-13(9-12)22-18-15-6-7-21-10-16(15)14-5-4-11(19(24)25)8-17(14)23-18/h1-10H,(H,22,23)(H,24,25)
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n/an/a 6.80n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DYRK1A in presence of ATP by radiometric filter-binding assay


J Med Chem 62: 1803-1816 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01766
BindingDB Entry DOI: 10.7270/Q2NS0ZCZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50335638
PNG
(5-(3-Chlorophenylamino)benzo[c][2,6]naphthyridine-...)
Show SMILES OC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc21
Show InChI InChI=1S/C19H12ClN3O2/c20-12-2-1-3-13(9-12)22-18-15-6-7-21-10-16(15)14-5-4-11(19(24)25)8-17(14)23-18/h1-10H,(H,22,23)(H,24,25)
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n/an/a 6.80n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DYRK1A in presence of ATP by radiometric filter-binding assay


J Med Chem 62: 1803-1816 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01766
BindingDB Entry DOI: 10.7270/Q2NS0ZCZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM165207
PNG
(US8168651, Compound TABLE 16.1 | US9062043, Table ...)
Show SMILES OC(=O)c1ccc2c(c1)nc(Nc1ccccc1)c1ccncc21
Show InChI InChI=1S/C19H13N3O2/c23-19(24)12-6-7-14-16-11-20-9-8-15(16)18(22-17(14)10-12)21-13-4-2-1-3-5-13/h1-11H,(H,21,22)(H,23,24)
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n/an/a 14n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged CK2alpha in presence of ATP by radiometric filter-binding assay


J Med Chem 62: 1803-1816 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01766
BindingDB Entry DOI: 10.7270/Q2NS0ZCZ
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM165207
PNG
(US8168651, Compound TABLE 16.1 | US9062043, Table ...)
Show SMILES OC(=O)c1ccc2c(c1)nc(Nc1ccccc1)c1ccncc21
Show InChI InChI=1S/C19H13N3O2/c23-19(24)12-6-7-14-16-11-20-9-8-15(16)18(22-17(14)10-12)21-13-4-2-1-3-5-13/h1-11H,(H,21,22)(H,23,24)
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n/an/a 14n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged CK2alpha in presence of ATP by radiometric filter-binding assay


J Med Chem 62: 1803-1816 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01766
BindingDB Entry DOI: 10.7270/Q2NS0ZCZ
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50530325
PNG
(CHEMBL4458300)
Show SMILES OC(=O)c1ccc(Nc2nc(cs2)-c2cccc(Br)c2)cc1
Show InChI InChI=1S/C16H11BrN2O2S/c17-12-3-1-2-11(8-12)14-9-22-16(19-14)18-13-6-4-10(5-7-13)15(20)21/h1-9H,(H,18,19)(H,20,21)
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n/an/a 3.40E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged CK2alpha in presence of ATP by radiometric kinase assay


J Med Chem 62: 1803-1816 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01766
BindingDB Entry DOI: 10.7270/Q2NS0ZCZ
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50530325
PNG
(CHEMBL4458300)
Show SMILES OC(=O)c1ccc(Nc2nc(cs2)-c2cccc(Br)c2)cc1
Show InChI InChI=1S/C16H11BrN2O2S/c17-12-3-1-2-11(8-12)14-9-22-16(19-14)18-13-6-4-10(5-7-13)15(20)21/h1-9H,(H,18,19)(H,20,21)
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Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged CK2alpha in presence of ATP by radiometric kinase assay


J Med Chem 62: 1803-1816 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01766
BindingDB Entry DOI: 10.7270/Q2NS0ZCZ
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50530325
PNG
(CHEMBL4458300)
Show SMILES OC(=O)c1ccc(Nc2nc(cs2)-c2cccc(Br)c2)cc1
Show InChI InChI=1S/C16H11BrN2O2S/c17-12-3-1-2-11(8-12)14-9-22-16(19-14)18-13-6-4-10(5-7-13)15(20)21/h1-9H,(H,18,19)(H,20,21)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged CK2alpha V73A mutant in presence of ATP by radiometric kinase assay


J Med Chem 62: 1803-1816 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01766
BindingDB Entry DOI: 10.7270/Q2NS0ZCZ
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50530325
PNG
(CHEMBL4458300)
Show SMILES OC(=O)c1ccc(Nc2nc(cs2)-c2cccc(Br)c2)cc1
Show InChI InChI=1S/C16H11BrN2O2S/c17-12-3-1-2-11(8-12)14-9-22-16(19-14)18-13-6-4-10(5-7-13)15(20)21/h1-9H,(H,18,19)(H,20,21)
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Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged CK2alpha V73A mutant in presence of ATP by radiometric kinase assay


J Med Chem 62: 1803-1816 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01766
BindingDB Entry DOI: 10.7270/Q2NS0ZCZ
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50530325
PNG
(CHEMBL4458300)
Show SMILES OC(=O)c1ccc(Nc2nc(cs2)-c2cccc(Br)c2)cc1
Show InChI InChI=1S/C16H11BrN2O2S/c17-12-3-1-2-11(8-12)14-9-22-16(19-14)18-13-6-4-10(5-7-13)15(20)21/h1-9H,(H,18,19)(H,20,21)
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n/an/a 6.00E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged CK2alpha K74A mutant in presence of ATP by radiometric kinase assay


J Med Chem 62: 1803-1816 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01766
BindingDB Entry DOI: 10.7270/Q2NS0ZCZ
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50530325
PNG
(CHEMBL4458300)
Show SMILES OC(=O)c1ccc(Nc2nc(cs2)-c2cccc(Br)c2)cc1
Show InChI InChI=1S/C16H11BrN2O2S/c17-12-3-1-2-11(8-12)14-9-22-16(19-14)18-13-6-4-10(5-7-13)15(20)21/h1-9H,(H,18,19)(H,20,21)
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n/an/a 6.00E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged CK2alpha K74A mutant in presence of ATP by radiometric kinase assay


J Med Chem 62: 1803-1816 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01766
BindingDB Entry DOI: 10.7270/Q2NS0ZCZ
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50530336
PNG
(CHEMBL4462082)
Show SMILES OC(=O)c1ccc(Nc2nc(cs2)-c2cccc(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C16H11N3O4S/c20-15(21)10-4-6-12(7-5-10)17-16-18-14(9-24-16)11-2-1-3-13(8-11)19(22)23/h1-9H,(H,17,18)(H,20,21)
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n/an/a 7.00E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged CK2alpha in presence of ATP by radiometric kinase assay


J Med Chem 62: 1803-1816 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01766
BindingDB Entry DOI: 10.7270/Q2NS0ZCZ
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50530332
PNG
(CHEMBL4439686)
Show SMILES CCc1ccccc1-c1c(Cl)cc(CNCCc2nc3ccccc3[nH]2)cc1Cl |(16,-37.2,;14.66,-36.43,;13.33,-37.2,;13.34,-38.74,;12,-39.52,;10.67,-38.75,;10.67,-37.21,;12,-36.44,;12,-34.9,;10.67,-34.13,;9.33,-34.9,;10.67,-32.59,;12,-31.82,;11.99,-30.28,;13.32,-29.5,;13.32,-27.96,;14.65,-27.19,;14.65,-25.65,;15.88,-24.74,;15.4,-23.27,;16.16,-21.94,;15.39,-20.62,;13.85,-20.63,;13.09,-21.96,;13.86,-23.28,;13.39,-24.74,;13.33,-32.58,;13.34,-34.13,;14.67,-34.9,)|
Show InChI InChI=1S/C24H23Cl2N3/c1-2-17-7-3-4-8-18(17)24-19(25)13-16(14-20(24)26)15-27-12-11-23-28-21-9-5-6-10-22(21)29-23/h3-10,13-14,27H,2,11-12,15H2,1H3,(H,28,29)
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n/an/a 7.00E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of CK2alpha (unknown origin) incubated for 40 mins by ADP-Glo kinase assay


J Med Chem 62: 1803-1816 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01766
BindingDB Entry DOI: 10.7270/Q2NS0ZCZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50530332
PNG
(CHEMBL4439686)
Show SMILES CCc1ccccc1-c1c(Cl)cc(CNCCc2nc3ccccc3[nH]2)cc1Cl |(16,-37.2,;14.66,-36.43,;13.33,-37.2,;13.34,-38.74,;12,-39.52,;10.67,-38.75,;10.67,-37.21,;12,-36.44,;12,-34.9,;10.67,-34.13,;9.33,-34.9,;10.67,-32.59,;12,-31.82,;11.99,-30.28,;13.32,-29.5,;13.32,-27.96,;14.65,-27.19,;14.65,-25.65,;15.88,-24.74,;15.4,-23.27,;16.16,-21.94,;15.39,-20.62,;13.85,-20.63,;13.09,-21.96,;13.86,-23.28,;13.39,-24.74,;13.33,-32.58,;13.34,-34.13,;14.67,-34.9,)|
Show InChI InChI=1S/C24H23Cl2N3/c1-2-17-7-3-4-8-18(17)24-19(25)13-16(14-20(24)26)15-27-12-11-23-28-21-9-5-6-10-22(21)29-23/h3-10,13-14,27H,2,11-12,15H2,1H3,(H,28,29)
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n/an/a 7.00E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of CK2alpha (unknown origin) incubated for 40 mins by ADP-Glo kinase assay


J Med Chem 62: 1803-1816 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01766
BindingDB Entry DOI: 10.7270/Q2NS0ZCZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50530336
PNG
(CHEMBL4462082)
Show SMILES OC(=O)c1ccc(Nc2nc(cs2)-c2cccc(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C16H11N3O4S/c20-15(21)10-4-6-12(7-5-10)17-16-18-14(9-24-16)11-2-1-3-13(8-11)19(22)23/h1-9H,(H,17,18)(H,20,21)
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Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged CK2alpha in presence of ATP by radiometric kinase assay


J Med Chem 62: 1803-1816 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01766
BindingDB Entry DOI: 10.7270/Q2NS0ZCZ
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50530325
PNG
(CHEMBL4458300)
Show SMILES OC(=O)c1ccc(Nc2nc(cs2)-c2cccc(Br)c2)cc1
Show InChI InChI=1S/C16H11BrN2O2S/c17-12-3-1-2-11(8-12)14-9-22-16(19-14)18-13-6-4-10(5-7-13)15(20)21/h1-9H,(H,18,19)(H,20,21)
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n/an/a 7.70E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged CK2alpha H160A mutant in presence of ATP by radiometric kinase assay


J Med Chem 62: 1803-1816 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01766
BindingDB Entry DOI: 10.7270/Q2NS0ZCZ
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50530325
PNG
(CHEMBL4458300)
Show SMILES OC(=O)c1ccc(Nc2nc(cs2)-c2cccc(Br)c2)cc1
Show InChI InChI=1S/C16H11BrN2O2S/c17-12-3-1-2-11(8-12)14-9-22-16(19-14)18-13-6-4-10(5-7-13)15(20)21/h1-9H,(H,18,19)(H,20,21)
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Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged CK2alpha H160A mutant in presence of ATP by radiometric kinase assay


J Med Chem 62: 1803-1816 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01766
BindingDB Entry DOI: 10.7270/Q2NS0ZCZ
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50530338
PNG
(CHEMBL1621959)
Show SMILES OC(=O)c1ccc(Nc2nc(cs2)-c2ccccc2)cc1
Show InChI InChI=1S/C16H12N2O2S/c19-15(20)12-6-8-13(9-7-12)17-16-18-14(10-21-16)11-4-2-1-3-5-11/h1-10H,(H,17,18)(H,19,20)
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n/an/a 9.00E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged CK2alpha in presence of ATP by radiometric kinase assay


J Med Chem 62: 1803-1816 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01766
BindingDB Entry DOI: 10.7270/Q2NS0ZCZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50530338
PNG
(CHEMBL1621959)
Show SMILES OC(=O)c1ccc(Nc2nc(cs2)-c2ccccc2)cc1
Show InChI InChI=1S/C16H12N2O2S/c19-15(20)12-6-8-13(9-7-12)17-16-18-14(10-21-16)11-4-2-1-3-5-11/h1-10H,(H,17,18)(H,19,20)
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n/an/a 9.00E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged CK2alpha in presence of ATP by radiometric kinase assay


J Med Chem 62: 1803-1816 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01766
BindingDB Entry DOI: 10.7270/Q2NS0ZCZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50530325
PNG
(CHEMBL4458300)
Show SMILES OC(=O)c1ccc(Nc2nc(cs2)-c2cccc(Br)c2)cc1
Show InChI InChI=1S/C16H11BrN2O2S/c17-12-3-1-2-11(8-12)14-9-22-16(19-14)18-13-6-4-10(5-7-13)15(20)21/h1-9H,(H,18,19)(H,20,21)
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n/an/a 1.09E+4n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged CK2alpha K77A mutant in presence of ATP by radiometric kinase assay


J Med Chem 62: 1803-1816 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01766
BindingDB Entry DOI: 10.7270/Q2NS0ZCZ
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50530325
PNG
(CHEMBL4458300)
Show SMILES OC(=O)c1ccc(Nc2nc(cs2)-c2cccc(Br)c2)cc1
Show InChI InChI=1S/C16H11BrN2O2S/c17-12-3-1-2-11(8-12)14-9-22-16(19-14)18-13-6-4-10(5-7-13)15(20)21/h1-9H,(H,18,19)(H,20,21)
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Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged CK2alpha K77A mutant in presence of ATP by radiometric kinase assay


J Med Chem 62: 1803-1816 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01766
BindingDB Entry DOI: 10.7270/Q2NS0ZCZ
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50530318
PNG
(CHEMBL4526405)
Show SMILES COc1cccc(c1)-c1csc(Nc2ccc(cc2)C(O)=O)n1
Show InChI InChI=1S/C17H14N2O3S/c1-22-14-4-2-3-12(9-14)15-10-23-17(19-15)18-13-7-5-11(6-8-13)16(20)21/h2-10H,1H3,(H,18,19)(H,20,21)
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Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged CK2alpha in presence of ATP by radiometric kinase assay


J Med Chem 62: 1803-1816 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01766
BindingDB Entry DOI: 10.7270/Q2NS0ZCZ
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50530318
PNG
(CHEMBL4526405)
Show SMILES COc1cccc(c1)-c1csc(Nc2ccc(cc2)C(O)=O)n1
Show InChI InChI=1S/C17H14N2O3S/c1-22-14-4-2-3-12(9-14)15-10-23-17(19-15)18-13-7-5-11(6-8-13)16(20)21/h2-10H,1H3,(H,18,19)(H,20,21)
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Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged CK2alpha in presence of ATP by radiometric kinase assay


J Med Chem 62: 1803-1816 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01766
BindingDB Entry DOI: 10.7270/Q2NS0ZCZ
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50530316
PNG
(CHEMBL4455046)
Show SMILES OC(=O)c1ccc(Nc2nc(cs2)-c2ccccn2)cc1
Show InChI InChI=1S/C15H11N3O2S/c19-14(20)10-4-6-11(7-5-10)17-15-18-13(9-21-15)12-3-1-2-8-16-12/h1-9H,(H,17,18)(H,19,20)
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n/an/a 1.40E+4n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged CK2alpha in presence of ATP by radiometric kinase assay


J Med Chem 62: 1803-1816 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01766
BindingDB Entry DOI: 10.7270/Q2NS0ZCZ
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50530316
PNG
(CHEMBL4455046)
Show SMILES OC(=O)c1ccc(Nc2nc(cs2)-c2ccccn2)cc1
Show InChI InChI=1S/C15H11N3O2S/c19-14(20)10-4-6-11(7-5-10)17-15-18-13(9-21-15)12-3-1-2-8-16-12/h1-9H,(H,17,18)(H,19,20)
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Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged CK2alpha in presence of ATP by radiometric kinase assay


J Med Chem 62: 1803-1816 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01766
BindingDB Entry DOI: 10.7270/Q2NS0ZCZ
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50530337
PNG
(CHEMBL4557432)
Show SMILES OC(=O)c1cccc(Nc2nc(cs2)-c2cccc(c2)[N+]([O-])=O)c1
Show InChI InChI=1S/C16H11N3O4S/c20-15(21)11-4-1-5-12(7-11)17-16-18-14(9-24-16)10-3-2-6-13(8-10)19(22)23/h1-9H,(H,17,18)(H,20,21)
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n/an/a 2.77E+4n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged CK2alpha in presence of ATP by radiometric kinase assay


J Med Chem 62: 1803-1816 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01766
BindingDB Entry DOI: 10.7270/Q2NS0ZCZ
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50530337
PNG
(CHEMBL4557432)
Show SMILES OC(=O)c1cccc(Nc2nc(cs2)-c2cccc(c2)[N+]([O-])=O)c1
Show InChI InChI=1S/C16H11N3O4S/c20-15(21)11-4-1-5-12(7-11)17-16-18-14(9-24-16)10-3-2-6-13(8-10)19(22)23/h1-9H,(H,17,18)(H,20,21)
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n/an/a 2.77E+4n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged CK2alpha in presence of ATP by radiometric kinase assay


J Med Chem 62: 1803-1816 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01766
BindingDB Entry DOI: 10.7270/Q2NS0ZCZ
More data for this
Ligand-Target Pair