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PubMed code 22339433

Compile data set for download or QSAR
Found 48 hits of Enzyme Inhibition Constant Data   
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))		BDBM50420563
PNG
(CHEMBL2087023)
Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C18H14N2O4S/c1-24-14-8-6-12(7-9-14)16(21)20-18-19-10-15(25-18)11-2-4-13(5-3-11)17(22)23/h2-10H,1H3,(H,22,23)(H,19,20,21)
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n/an/a 32n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Competitive inhibition of GST fused human CK2alpha expressed in Escherichia coli BL21 after 10 mins in presence of ATP

J Med Chem 55: 2899-903 (2012)


Article DOI: 10.1021/jm2015167
BindingDB Entry DOI: 10.7270/Q2445NRV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Casein kinase II subunit alpha'


(Homo sapiens (Human))		BDBM50420563
PNG
(CHEMBL2087023)
Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C18H14N2O4S/c1-24-14-8-6-12(7-9-14)16(21)20-18-19-10-15(25-18)11-2-4-13(5-3-11)17(22)23/h2-10H,1H3,(H,22,23)(H,19,20,21)
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n/an/a 46n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Competitive inhibition of GST fused human CK2alpha' expressed in Escherichia coli BL21 after 10 mins in presence of ATP

J Med Chem 55: 2899-903 (2012)


Article DOI: 10.1021/jm2015167
BindingDB Entry DOI: 10.7270/Q2445NRV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Casein kinase II subunit alpha'


(Homo sapiens (Human))		BDBM50420565
PNG
(CHEMBL2087025)
Show SMILES COc1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C18H15N3O4/c1-25-14-8-6-12(7-9-14)17(22)19-16-10-15(20-21-16)11-2-4-13(5-3-11)18(23)24/h2-10H,1H3,(H,23,24)(H2,19,20,21,22)
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n/an/a 63n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Competitive inhibition of GST fused human CK2alpha' expressed in Escherichia coli BL21 after 10 mins in presence of ATP

J Med Chem 55: 2899-903 (2012)


Article DOI: 10.1021/jm2015167
BindingDB Entry DOI: 10.7270/Q2445NRV
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))		BDBM50420562
PNG
(CHEMBL2048144)
Show SMILES OC(=O)Cc1ccn(c1)-c1cncc(n1)-n1ncc2ccc(NC3CCCC3)cc12
Show InChI InChI=1S/C22H22N6O2/c29-22(30)9-15-7-8-27(14-15)20-12-23-13-21(26-20)28-19-10-18(6-5-16(19)11-24-28)25-17-3-1-2-4-17/h5-8,10-14,17,25H,1-4,9H2,(H,29,30)
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n/an/a 110n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Competitive inhibition of GST fused human CK2alpha expressed in Escherichia coli BL21 after 10 mins in presence of ATP

J Med Chem 55: 2899-903 (2012)


Article DOI: 10.1021/jm2015167
BindingDB Entry DOI: 10.7270/Q2445NRV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Casein kinase II subunit alpha


(Homo sapiens (Human))		BDBM50420565
PNG
(CHEMBL2087025)
Show SMILES COc1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C18H15N3O4/c1-25-14-8-6-12(7-9-14)17(22)19-16-10-15(20-21-16)11-2-4-13(5-3-11)18(23)24/h2-10H,1H3,(H,23,24)(H2,19,20,21,22)
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n/an/a 140n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Competitive inhibition of GST fused human CK2alpha expressed in Escherichia coli BL21 after 10 mins in presence of ATP

J Med Chem 55: 2899-903 (2012)


Article DOI: 10.1021/jm2015167
BindingDB Entry DOI: 10.7270/Q2445NRV
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))		BDBM50420562
PNG
(CHEMBL2048144)
Show SMILES OC(=O)Cc1ccn(c1)-c1cncc(n1)-n1ncc2ccc(NC3CCCC3)cc12
Show InChI InChI=1S/C22H22N6O2/c29-22(30)9-15-7-8-27(14-15)20-12-23-13-21(26-20)28-19-10-18(6-5-16(19)11-24-28)25-17-3-1-2-4-17/h5-8,10-14,17,25H,1-4,9H2,(H,29,30)
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n/an/a 190n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Competitive inhibition of GST fused human CK2alpha' expressed in Escherichia coli BL21 after 10 mins in presence of ATP

J Med Chem 55: 2899-903 (2012)


Article DOI: 10.1021/jm2015167
BindingDB Entry DOI: 10.7270/Q2445NRV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Casein kinase II subunit alpha'


(Homo sapiens (Human))		BDBM50420549
PNG
(CHEMBL2087008)
Show SMILES COc1ccc(cc1)C(=O)Nc1nnc(s1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C17H13N3O4S/c1-24-13-8-6-10(7-9-13)14(21)18-17-20-19-15(25-17)11-2-4-12(5-3-11)16(22)23/h2-9H,1H3,(H,22,23)(H,18,20,21)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Competitive inhibition of GST fused human CK2alpha' expressed in Escherichia coli BL21 after 10 mins in presence of ATP

J Med Chem 55: 2899-903 (2012)


Article DOI: 10.1021/jm2015167
BindingDB Entry DOI: 10.7270/Q2445NRV
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))		BDBM50420553
PNG
(CHEMBL2087013)
Show SMILES OC(=O)c1ccc(cc1)-c1nnc(NC(=O)C2CC2)s1
Show InChI InChI=1S/C13H11N3O3S/c17-10(7-1-2-7)14-13-16-15-11(20-13)8-3-5-9(6-4-8)12(18)19/h3-7H,1-2H2,(H,18,19)(H,14,16,17)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Competitive inhibition of GST fused human CK2alpha' expressed in Escherichia coli BL21 after 10 mins in presence of ATP

J Med Chem 55: 2899-903 (2012)


Article DOI: 10.1021/jm2015167
BindingDB Entry DOI: 10.7270/Q2445NRV
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))		BDBM50420548
PNG
(CHEMBL2087007)
Show SMILES OC(=O)c1ccc(cc1)-c1nnc(NC(=O)c2ccc(F)cc2)s1
Show InChI InChI=1S/C16H10FN3O3S/c17-12-7-5-9(6-8-12)13(21)18-16-20-19-14(24-16)10-1-3-11(4-2-10)15(22)23/h1-8H,(H,22,23)(H,18,20,21)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Competitive inhibition of GST fused human CK2alpha' expressed in Escherichia coli BL21 after 10 mins in presence of ATP

J Med Chem 55: 2899-903 (2012)


Article DOI: 10.1021/jm2015167
BindingDB Entry DOI: 10.7270/Q2445NRV
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))		BDBM50420551
PNG
(CHEMBL2087010)
Show SMILES OC(=O)c1ccc(cc1)-c1nnc(NC(=O)c2ccco2)s1
Show InChI InChI=1S/C14H9N3O4S/c18-11(10-2-1-7-21-10)15-14-17-16-12(22-14)8-3-5-9(6-4-8)13(19)20/h1-7H,(H,19,20)(H,15,17,18)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Competitive inhibition of GST fused human CK2alpha' expressed in Escherichia coli BL21 after 10 mins in presence of ATP

J Med Chem 55: 2899-903 (2012)


Article DOI: 10.1021/jm2015167
BindingDB Entry DOI: 10.7270/Q2445NRV
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))		BDBM50420561
PNG
(CHEMBL2087022)
Show SMILES CCCCCCOC(=O)Nc1nnc(s1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C16H19N3O4S/c1-2-3-4-5-10-23-16(22)17-15-19-18-13(24-15)11-6-8-12(9-7-11)14(20)21/h6-9H,2-5,10H2,1H3,(H,20,21)(H,17,19,22)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Competitive inhibition of GST fused human CK2alpha' expressed in Escherichia coli BL21 after 10 mins in presence of ATP

J Med Chem 55: 2899-903 (2012)


Article DOI: 10.1021/jm2015167
BindingDB Entry DOI: 10.7270/Q2445NRV
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))		BDBM50420544
PNG
(CHEMBL2087021)
Show SMILES CCCCCOC(=O)Nc1nnc(s1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C15H17N3O4S/c1-2-3-4-9-22-15(21)16-14-18-17-12(23-14)10-5-7-11(8-6-10)13(19)20/h5-8H,2-4,9H2,1H3,(H,19,20)(H,16,18,21)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Competitive inhibition of GST fused human CK2alpha' expressed in Escherichia coli BL21 after 10 mins in presence of ATP

J Med Chem 55: 2899-903 (2012)


Article DOI: 10.1021/jm2015167
BindingDB Entry DOI: 10.7270/Q2445NRV
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))		BDBM50420556
PNG
(CHEMBL2087016)
Show SMILES OC(=O)c1ccc(cc1)-c1nnc(NC(=O)OCC=C)s1
Show InChI InChI=1S/C13H11N3O4S/c1-2-7-20-13(19)14-12-16-15-10(21-12)8-3-5-9(6-4-8)11(17)18/h2-6H,1,7H2,(H,17,18)(H,14,16,19)
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n/an/a 2.70E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Competitive inhibition of GST fused human CK2alpha' expressed in Escherichia coli BL21 after 10 mins in presence of ATP

J Med Chem 55: 2899-903 (2012)


Article DOI: 10.1021/jm2015167
BindingDB Entry DOI: 10.7270/Q2445NRV
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))		BDBM50420543
PNG
(CHEMBL2087011)
Show SMILES OCC(=O)Nc1nnc(s1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C11H9N3O4S/c15-5-8(16)12-11-14-13-9(19-11)6-1-3-7(4-2-6)10(17)18/h1-4,15H,5H2,(H,17,18)(H,12,14,16)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Competitive inhibition of GST fused human CK2alpha' expressed in Escherichia coli BL21 after 10 mins in presence of ATP

J Med Chem 55: 2899-903 (2012)


Article DOI: 10.1021/jm2015167
BindingDB Entry DOI: 10.7270/Q2445NRV
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))		BDBM50420554
PNG
(CHEMBL2087014)
Show SMILES C\C=C(/C)C(=O)Nc1nnc(s1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C14H13N3O3S/c1-3-8(2)11(18)15-14-17-16-12(21-14)9-4-6-10(7-5-9)13(19)20/h3-7H,1-2H3,(H,19,20)(H,15,17,18)/b8-3+
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n/an/a 2.90E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Competitive inhibition of GST fused human CK2alpha' expressed in Escherichia coli BL21 after 10 mins in presence of ATP

J Med Chem 55: 2899-903 (2012)


Article DOI: 10.1021/jm2015167
BindingDB Entry DOI: 10.7270/Q2445NRV
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))		BDBM50420557
PNG
(CHEMBL2087017)
Show SMILES CCCOC(=O)Nc1nnc(s1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C13H13N3O4S/c1-2-7-20-13(19)14-12-16-15-10(21-12)8-3-5-9(6-4-8)11(17)18/h3-6H,2,7H2,1H3,(H,17,18)(H,14,16,19)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Competitive inhibition of GST fused human CK2alpha' expressed in Escherichia coli BL21 after 10 mins in presence of ATP

J Med Chem 55: 2899-903 (2012)


Article DOI: 10.1021/jm2015167
BindingDB Entry DOI: 10.7270/Q2445NRV
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))		BDBM50420559
PNG
(CHEMBL2087019)
Show SMILES CCCCOC(=O)Nc1nnc(s1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C14H15N3O4S/c1-2-3-8-21-14(20)15-13-17-16-11(22-13)9-4-6-10(7-5-9)12(18)19/h4-7H,2-3,8H2,1H3,(H,18,19)(H,15,17,20)
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n/an/a 3.10E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Competitive inhibition of GST fused human CK2alpha' expressed in Escherichia coli BL21 after 10 mins in presence of ATP

J Med Chem 55: 2899-903 (2012)


Article DOI: 10.1021/jm2015167
BindingDB Entry DOI: 10.7270/Q2445NRV
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))		BDBM50420547
PNG
(CHEMBL2087006)
Show SMILES OC(=O)c1ccc(cc1)-c1nnc(NC(=O)c2ccccc2)s1
Show InChI InChI=1S/C16H11N3O3S/c20-13(10-4-2-1-3-5-10)17-16-19-18-14(23-16)11-6-8-12(9-7-11)15(21)22/h1-9H,(H,21,22)(H,17,19,20)
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n/an/a 3.30E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Competitive inhibition of GST fused human CK2alpha' expressed in Escherichia coli BL21 after 10 mins in presence of ATP

J Med Chem 55: 2899-903 (2012)


Article DOI: 10.1021/jm2015167
BindingDB Entry DOI: 10.7270/Q2445NRV
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))		BDBM50420549
PNG
(CHEMBL2087008)
Show SMILES COc1ccc(cc1)C(=O)Nc1nnc(s1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C17H13N3O4S/c1-24-13-8-6-10(7-9-13)14(21)18-17-20-19-15(25-17)11-2-4-12(5-3-11)16(22)23/h2-9H,1H3,(H,22,23)(H,18,20,21)
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n/an/a 3.40E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Competitive inhibition of GST fused human CK2alpha expressed in Escherichia coli BL21 after 10 mins in presence of ATP

J Med Chem 55: 2899-903 (2012)


Article DOI: 10.1021/jm2015167
BindingDB Entry DOI: 10.7270/Q2445NRV
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))		BDBM50420554
PNG
(CHEMBL2087014)
Show SMILES C\C=C(/C)C(=O)Nc1nnc(s1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C14H13N3O3S/c1-3-8(2)11(18)15-14-17-16-12(21-14)9-4-6-10(7-5-9)13(19)20/h3-7H,1-2H3,(H,19,20)(H,15,17,18)/b8-3+
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n/an/a 3.60E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Competitive inhibition of GST fused human CK2alpha expressed in Escherichia coli BL21 after 10 mins in presence of ATP

J Med Chem 55: 2899-903 (2012)


Article DOI: 10.1021/jm2015167
BindingDB Entry DOI: 10.7270/Q2445NRV
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))		BDBM50420553
PNG
(CHEMBL2087013)
Show SMILES OC(=O)c1ccc(cc1)-c1nnc(NC(=O)C2CC2)s1
Show InChI InChI=1S/C13H11N3O3S/c17-10(7-1-2-7)14-13-16-15-11(20-13)8-3-5-9(6-4-8)12(18)19/h3-7H,1-2H2,(H,18,19)(H,14,16,17)
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n/an/a 3.90E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Competitive inhibition of GST fused human CK2alpha expressed in Escherichia coli BL21 after 10 mins in presence of ATP

J Med Chem 55: 2899-903 (2012)


Article DOI: 10.1021/jm2015167
BindingDB Entry DOI: 10.7270/Q2445NRV
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))		BDBM50420555
PNG
(CHEMBL2087015)
Show SMILES COCCOC(=O)Nc1nnc(s1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C13H13N3O5S/c1-20-6-7-21-13(19)14-12-16-15-10(22-12)8-2-4-9(5-3-8)11(17)18/h2-5H,6-7H2,1H3,(H,17,18)(H,14,16,19)
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n/an/a 4.30E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Competitive inhibition of GST fused human CK2alpha' expressed in Escherichia coli BL21 after 10 mins in presence of ATP

J Med Chem 55: 2899-903 (2012)


Article DOI: 10.1021/jm2015167
BindingDB Entry DOI: 10.7270/Q2445NRV
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))		BDBM50420552
PNG
(CHEMBL2087012)
Show SMILES COCC(=O)Nc1nnc(s1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C12H11N3O4S/c1-19-6-9(16)13-12-15-14-10(20-12)7-2-4-8(5-3-7)11(17)18/h2-5H,6H2,1H3,(H,17,18)(H,13,15,16)
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n/an/a 4.30E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Competitive inhibition of GST fused human CK2alpha' expressed in Escherichia coli BL21 after 10 mins in presence of ATP

J Med Chem 55: 2899-903 (2012)


Article DOI: 10.1021/jm2015167
BindingDB Entry DOI: 10.7270/Q2445NRV
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))		BDBM50420547
PNG
(CHEMBL2087006)
Show SMILES OC(=O)c1ccc(cc1)-c1nnc(NC(=O)c2ccccc2)s1
Show InChI InChI=1S/C16H11N3O3S/c20-13(10-4-2-1-3-5-10)17-16-19-18-14(23-16)11-6-8-12(9-7-11)15(21)22/h1-9H,(H,21,22)(H,17,19,20)
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n/an/a 4.40E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Competitive inhibition of GST fused human CK2alpha expressed in Escherichia coli BL21 after 10 mins in presence of ATP

J Med Chem 55: 2899-903 (2012)


Article DOI: 10.1021/jm2015167
BindingDB Entry DOI: 10.7270/Q2445NRV
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))		BDBM50420544
PNG
(CHEMBL2087021)
Show SMILES CCCCCOC(=O)Nc1nnc(s1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C15H17N3O4S/c1-2-3-4-9-22-15(21)16-14-18-17-12(23-14)10-5-7-11(8-6-10)13(19)20/h5-8H,2-4,9H2,1H3,(H,19,20)(H,16,18,21)
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n/an/a 4.50E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Competitive inhibition of GST fused human CK2alpha expressed in Escherichia coli BL21 after 10 mins in presence of ATP

J Med Chem 55: 2899-903 (2012)


Article DOI: 10.1021/jm2015167
BindingDB Entry DOI: 10.7270/Q2445NRV
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))		BDBM50420560
PNG
(CHEMBL2087020)
Show SMILES CC(C)COC(=O)Nc1nnc(s1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C14H15N3O4S/c1-8(2)7-21-14(20)15-13-17-16-11(22-13)9-3-5-10(6-4-9)12(18)19/h3-6,8H,7H2,1-2H3,(H,18,19)(H,15,17,20)
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n/an/a 5.10E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Competitive inhibition of GST fused human CK2alpha expressed in Escherichia coli BL21 after 10 mins in presence of ATP

J Med Chem 55: 2899-903 (2012)


Article DOI: 10.1021/jm2015167
BindingDB Entry DOI: 10.7270/Q2445NRV
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))		BDBM50420543
PNG
(CHEMBL2087011)
Show SMILES OCC(=O)Nc1nnc(s1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C11H9N3O4S/c15-5-8(16)12-11-14-13-9(19-11)6-1-3-7(4-2-6)10(17)18/h1-4,15H,5H2,(H,17,18)(H,12,14,16)
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n/an/a 5.10E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Competitive inhibition of GST fused human CK2alpha expressed in Escherichia coli BL21 after 10 mins in presence of ATP

J Med Chem 55: 2899-903 (2012)


Article DOI: 10.1021/jm2015167
BindingDB Entry DOI: 10.7270/Q2445NRV
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))		BDBM50420551
PNG
(CHEMBL2087010)
Show SMILES OC(=O)c1ccc(cc1)-c1nnc(NC(=O)c2ccco2)s1
Show InChI InChI=1S/C14H9N3O4S/c18-11(10-2-1-7-21-10)15-14-17-16-12(22-14)8-3-5-9(6-4-8)13(19)20/h1-7H,(H,19,20)(H,15,17,18)
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n/an/a 5.10E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Competitive inhibition of GST fused human CK2alpha expressed in Escherichia coli BL21 after 10 mins in presence of ATP

J Med Chem 55: 2899-903 (2012)


Article DOI: 10.1021/jm2015167
BindingDB Entry DOI: 10.7270/Q2445NRV
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))		BDBM50420546
PNG
(CHEMBL2087005)
Show SMILES CC(=O)Nc1nnc(s1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C11H9N3O3S/c1-6(15)12-11-14-13-9(18-11)7-2-4-8(5-3-7)10(16)17/h2-5H,1H3,(H,16,17)(H,12,14,15)
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n/an/a 5.30E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Competitive inhibition of GST fused human CK2alpha' expressed in Escherichia coli BL21 after 10 mins in presence of ATP

J Med Chem 55: 2899-903 (2012)


Article DOI: 10.1021/jm2015167
BindingDB Entry DOI: 10.7270/Q2445NRV
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))		BDBM50420557
PNG
(CHEMBL2087017)
Show SMILES CCCOC(=O)Nc1nnc(s1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C13H13N3O4S/c1-2-7-20-13(19)14-12-16-15-10(21-12)8-3-5-9(6-4-8)11(17)18/h3-6H,2,7H2,1H3,(H,17,18)(H,14,16,19)
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n/an/a 5.70E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Competitive inhibition of GST fused human CK2alpha expressed in Escherichia coli BL21 after 10 mins in presence of ATP

J Med Chem 55: 2899-903 (2012)


Article DOI: 10.1021/jm2015167
BindingDB Entry DOI: 10.7270/Q2445NRV
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))		BDBM50420560
PNG
(CHEMBL2087020)
Show SMILES CC(C)COC(=O)Nc1nnc(s1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C14H15N3O4S/c1-8(2)7-21-14(20)15-13-17-16-11(22-13)9-3-5-10(6-4-9)12(18)19/h3-6,8H,7H2,1-2H3,(H,18,19)(H,15,17,20)
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n/an/a 5.70E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Competitive inhibition of GST fused human CK2alpha' expressed in Escherichia coli BL21 after 10 mins in presence of ATP

J Med Chem 55: 2899-903 (2012)


Article DOI: 10.1021/jm2015167
BindingDB Entry DOI: 10.7270/Q2445NRV
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))		BDBM50420550
PNG
(CHEMBL2087009)
Show SMILES OC(=O)c1ccc(cc1)-c1nnc(NC(=O)c2cccs2)s1
Show InChI InChI=1S/C14H9N3O3S2/c18-11(10-2-1-7-21-10)15-14-17-16-12(22-14)8-3-5-9(6-4-8)13(19)20/h1-7H,(H,19,20)(H,15,17,18)
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n/an/a 5.80E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Competitive inhibition of GST fused human CK2alpha' expressed in Escherichia coli BL21 after 10 mins in presence of ATP

J Med Chem 55: 2899-903 (2012)


Article DOI: 10.1021/jm2015167
BindingDB Entry DOI: 10.7270/Q2445NRV
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))		BDBM50420552
PNG
(CHEMBL2087012)
Show SMILES COCC(=O)Nc1nnc(s1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C12H11N3O4S/c1-19-6-9(16)13-12-15-14-10(20-12)7-2-4-8(5-3-7)11(17)18/h2-5H,6H2,1H3,(H,17,18)(H,13,15,16)
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n/an/a 6.00E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Competitive inhibition of GST fused human CK2alpha expressed in Escherichia coli BL21 after 10 mins in presence of ATP

J Med Chem 55: 2899-903 (2012)


Article DOI: 10.1021/jm2015167
BindingDB Entry DOI: 10.7270/Q2445NRV
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))		BDBM50420561
PNG
(CHEMBL2087022)
Show SMILES CCCCCCOC(=O)Nc1nnc(s1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C16H19N3O4S/c1-2-3-4-5-10-23-16(22)17-15-19-18-13(24-15)11-6-8-12(9-7-11)14(20)21/h6-9H,2-5,10H2,1H3,(H,20,21)(H,17,19,22)
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n/an/a 6.10E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Competitive inhibition of GST fused human CK2alpha expressed in Escherichia coli BL21 after 10 mins in presence of ATP

J Med Chem 55: 2899-903 (2012)


Article DOI: 10.1021/jm2015167
BindingDB Entry DOI: 10.7270/Q2445NRV
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))		BDBM50420550
PNG
(CHEMBL2087009)
Show SMILES OC(=O)c1ccc(cc1)-c1nnc(NC(=O)c2cccs2)s1
Show InChI InChI=1S/C14H9N3O3S2/c18-11(10-2-1-7-21-10)15-14-17-16-12(22-14)8-3-5-9(6-4-8)13(19)20/h1-7H,(H,19,20)(H,15,17,18)
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n/an/a 6.40E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Competitive inhibition of GST fused human CK2alpha expressed in Escherichia coli BL21 after 10 mins in presence of ATP

J Med Chem 55: 2899-903 (2012)


Article DOI: 10.1021/jm2015167
BindingDB Entry DOI: 10.7270/Q2445NRV
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))		BDBM50420548
PNG
(CHEMBL2087007)
Show SMILES OC(=O)c1ccc(cc1)-c1nnc(NC(=O)c2ccc(F)cc2)s1
Show InChI InChI=1S/C16H10FN3O3S/c17-12-7-5-9(6-8-12)13(21)18-16-20-19-14(24-16)10-1-3-11(4-2-10)15(22)23/h1-8H,(H,22,23)(H,18,20,21)
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n/an/a 6.60E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Competitive inhibition of GST fused human CK2alpha expressed in Escherichia coli BL21 after 10 mins in presence of ATP

J Med Chem 55: 2899-903 (2012)


Article DOI: 10.1021/jm2015167
BindingDB Entry DOI: 10.7270/Q2445NRV
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))		BDBM50420555
PNG
(CHEMBL2087015)
Show SMILES COCCOC(=O)Nc1nnc(s1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C13H13N3O5S/c1-20-6-7-21-13(19)14-12-16-15-10(22-12)8-2-4-9(5-3-8)11(17)18/h2-5H,6-7H2,1H3,(H,17,18)(H,14,16,19)
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n/an/a 6.80E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Competitive inhibition of GST fused human CK2alpha expressed in Escherichia coli BL21 after 10 mins in presence of ATP

J Med Chem 55: 2899-903 (2012)


Article DOI: 10.1021/jm2015167
BindingDB Entry DOI: 10.7270/Q2445NRV
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))		BDBM50420559
PNG
(CHEMBL2087019)
Show SMILES CCCCOC(=O)Nc1nnc(s1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C14H15N3O4S/c1-2-3-8-21-14(20)15-13-17-16-11(22-13)9-4-6-10(7-5-9)12(18)19/h4-7H,2-3,8H2,1H3,(H,18,19)(H,15,17,20)
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n/an/a 7.70E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Competitive inhibition of GST fused human CK2alpha expressed in Escherichia coli BL21 after 10 mins in presence of ATP

J Med Chem 55: 2899-903 (2012)


Article DOI: 10.1021/jm2015167
BindingDB Entry DOI: 10.7270/Q2445NRV
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))		BDBM50420556
PNG
(CHEMBL2087016)
Show SMILES OC(=O)c1ccc(cc1)-c1nnc(NC(=O)OCC=C)s1
Show InChI InChI=1S/C13H11N3O4S/c1-2-7-20-13(19)14-12-16-15-10(21-12)8-3-5-9(6-4-8)11(17)18/h2-6H,1,7H2,(H,17,18)(H,14,16,19)
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n/an/a 8.10E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Competitive inhibition of GST fused human CK2alpha expressed in Escherichia coli BL21 after 10 mins in presence of ATP

J Med Chem 55: 2899-903 (2012)


Article DOI: 10.1021/jm2015167
BindingDB Entry DOI: 10.7270/Q2445NRV
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))		BDBM50420558
PNG
(CHEMBL2087018)
Show SMILES CC(C)OC(=O)Nc1nnc(s1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C13H13N3O4S/c1-7(2)20-13(19)14-12-16-15-10(21-12)8-3-5-9(6-4-8)11(17)18/h3-7H,1-2H3,(H,17,18)(H,14,16,19)
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n/an/a 8.20E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Competitive inhibition of GST fused human CK2alpha' expressed in Escherichia coli BL21 after 10 mins in presence of ATP

J Med Chem 55: 2899-903 (2012)


Article DOI: 10.1021/jm2015167
BindingDB Entry DOI: 10.7270/Q2445NRV
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))		BDBM50420558
PNG
(CHEMBL2087018)
Show SMILES CC(C)OC(=O)Nc1nnc(s1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C13H13N3O4S/c1-7(2)20-13(19)14-12-16-15-10(21-12)8-3-5-9(6-4-8)11(17)18/h3-7H,1-2H3,(H,17,18)(H,14,16,19)
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n/an/a 1.41E+4n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Competitive inhibition of GST fused human CK2alpha expressed in Escherichia coli BL21 after 10 mins in presence of ATP

J Med Chem 55: 2899-903 (2012)


Article DOI: 10.1021/jm2015167
BindingDB Entry DOI: 10.7270/Q2445NRV
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))		BDBM50420566
PNG
(CHEMBL2087026)
Show SMILES COc1ccc(cc1)C(=O)Nc1cnc(s1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C18H14N2O4S/c1-24-14-8-6-11(7-9-14)16(21)20-15-10-19-17(25-15)12-2-4-13(5-3-12)18(22)23/h2-10H,1H3,(H,20,21)(H,22,23)
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n/an/a 2.50E+4n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Competitive inhibition of GST fused human CK2alpha' expressed in Escherichia coli BL21 after 10 mins in presence of ATP

J Med Chem 55: 2899-903 (2012)


Article DOI: 10.1021/jm2015167
BindingDB Entry DOI: 10.7270/Q2445NRV
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))		BDBM50420545
PNG
(CHEMBL2087004)
Show SMILES CC(=O)Nc1nnc(s1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C10H8N4O3S/c1-6(15)11-10-13-12-9(18-10)7-2-4-8(5-3-7)14(16)17/h2-5H,1H3,(H,11,13,15)
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n/an/a 2.68E+4n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Competitive inhibition of GST fused human CK2alpha expressed in Escherichia coli BL21 after 10 mins in presence of ATP

J Med Chem 55: 2899-903 (2012)


Article DOI: 10.1021/jm2015167
BindingDB Entry DOI: 10.7270/Q2445NRV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Casein kinase II subunit alpha


(Homo sapiens (Human))		BDBM50420546
PNG
(CHEMBL2087005)
Show SMILES CC(=O)Nc1nnc(s1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C11H9N3O3S/c1-6(15)12-11-14-13-9(18-11)7-2-4-8(5-3-7)10(16)17/h2-5H,1H3,(H,16,17)(H,12,14,15)
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n/an/a 2.99E+4n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Competitive inhibition of GST fused human CK2alpha expressed in Escherichia coli BL21 after 10 mins in presence of ATP

J Med Chem 55: 2899-903 (2012)


Article DOI: 10.1021/jm2015167
BindingDB Entry DOI: 10.7270/Q2445NRV
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))		BDBM50420564
PNG
(CHEMBL2087024)
Show SMILES COc1ccc(cc1)C(=O)Nc1nnc(o1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C17H13N3O5/c1-24-13-8-6-10(7-9-13)14(21)18-17-20-19-15(25-17)11-2-4-12(5-3-11)16(22)23/h2-9H,1H3,(H,22,23)(H,18,20,21)
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n/an/a 3.20E+4n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Competitive inhibition of GST fused human CK2alpha' expressed in Escherichia coli BL21 after 10 mins in presence of ATP

J Med Chem 55: 2899-903 (2012)


Article DOI: 10.1021/jm2015167
BindingDB Entry DOI: 10.7270/Q2445NRV
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))		BDBM50420545
PNG
(CHEMBL2087004)
Show SMILES CC(=O)Nc1nnc(s1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C10H8N4O3S/c1-6(15)11-10-13-12-9(18-10)7-2-4-8(5-3-7)14(16)17/h2-5H,1H3,(H,11,13,15)
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n/an/a 3.22E+4n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Competitive inhibition of GST fused human CK2alpha' expressed in Escherichia coli BL21 after 10 mins in presence of ATP

J Med Chem 55: 2899-903 (2012)


Article DOI: 10.1021/jm2015167
BindingDB Entry DOI: 10.7270/Q2445NRV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Casein kinase II subunit alpha


(Homo sapiens (Human))		BDBM50420566
PNG
(CHEMBL2087026)
Show SMILES COc1ccc(cc1)C(=O)Nc1cnc(s1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C18H14N2O4S/c1-24-14-8-6-11(7-9-14)16(21)20-15-10-19-17(25-15)12-2-4-13(5-3-12)18(22)23/h2-10H,1H3,(H,20,21)(H,22,23)
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n/an/a 5.00E+4n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Competitive inhibition of GST fused human CK2alpha expressed in Escherichia coli BL21 after 10 mins in presence of ATP

J Med Chem 55: 2899-903 (2012)


Article DOI: 10.1021/jm2015167
BindingDB Entry DOI: 10.7270/Q2445NRV
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))		BDBM50420564
PNG
(CHEMBL2087024)
Show SMILES COc1ccc(cc1)C(=O)Nc1nnc(o1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C17H13N3O5/c1-24-13-8-6-10(7-9-13)14(21)18-17-20-19-15(25-17)11-2-4-12(5-3-11)16(22)23/h2-9H,1H3,(H,22,23)(H,18,20,21)
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n/an/a 7.40E+4n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Competitive inhibition of GST fused human CK2alpha expressed in Escherichia coli BL21 after 10 mins in presence of ATP

J Med Chem 55: 2899-903 (2012)


Article DOI: 10.1021/jm2015167
BindingDB Entry DOI: 10.7270/Q2445NRV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%