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Compile Data Set for Download or QSAR

Found 16 hits Enz. Inhib. hit(s) with Target = 'Casein kinase II subunit alpha' and Ligand = 'BDBM50530325'   
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))
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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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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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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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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UniChem
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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)
PDB

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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 7.00E+3n/an/an/an/an/an/a



Universit£ de Lyon

Curated by ChEMBL


Assay Description
Inhibition of CK2alpha (unknown origin) assessed as reduction in GST-Six1 phosphorylation in presence of ATP by radiometric kinase assay


J Med Chem 62: 1817-1836 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01765
BindingDB Entry DOI: 10.7270/Q2SJ1Q27
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)
PDB

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n/an/a 7.00E+3n/an/an/an/an/an/a



Universit£ de Lyon

Curated by ChEMBL


Assay Description
Inhibition of CK2alpha (unknown origin) assessed as reduction in GST-Six1 phosphorylation in presence of ATP by radiometric kinase assay


J Med Chem 62: 1817-1836 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01765
BindingDB Entry DOI: 10.7270/Q2SJ1Q27
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)
PDB

UniProtKB/SwissProt

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PC sid
UniChem
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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)
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
Article
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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)
PDB

UniProtKB/SwissProt

antibodypedia
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UniChem
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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)
PDB

UniProtKB/SwissProt

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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)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.20E+4n/an/an/an/an/an/a



Universit£ de Lyon

Curated by ChEMBL


Assay Description
Inhibition of CK2alpha (unknown origin) assessed as reduction in nucleolin phosphorylation in presence of ATP by radiometric kinase assay


J Med Chem 62: 1817-1836 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01765
BindingDB Entry DOI: 10.7270/Q2SJ1Q27
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)
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.20E+4n/an/an/an/an/an/a



Universit£ de Lyon

Curated by ChEMBL


Assay Description
Inhibition of CK2alpha (unknown origin) assessed as reduction in nucleolin phosphorylation in presence of ATP by radiometric kinase assay


J Med Chem 62: 1817-1836 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01765
BindingDB Entry DOI: 10.7270/Q2SJ1Q27
More data for this
Ligand-Target Pair