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PubMed code 26850376

Compile data set for download or QSAR
Found 36 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))		BDBM50144654
PNG
(CHEMBL3760043)
Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(nc1)C(O)=O
Show InChI InChI=1S/C17H13N3O4S/c1-24-12-5-2-10(3-6-12)15(21)20-17-19-9-14(25-17)11-4-7-13(16(22)23)18-8-11/h2-9H,1H3,(H,22,23)(H,19,20,21)
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n/an/a 4.60n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human CK2alpha' (1 to 350 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay

Bioorg Med Chem 24: 1136-41 (2016)


Article DOI: 10.1016/j.bmc.2016.01.043
BindingDB Entry DOI: 10.7270/Q2BK1F7G
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))		BDBM50144679
PNG
(CHEMBL3759871)
Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cc1OCc1ccccc1F)C(O)=O
Show InChI InChI=1S/C25H19FN2O5S/c1-32-18-9-6-15(7-10-18)23(29)28-25-27-13-22(34-25)19-11-8-16(24(30)31)12-21(19)33-14-17-4-2-3-5-20(17)26/h2-13H,14H2,1H3,(H,30,31)(H,27,28,29)
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n/an/a 8.80n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human CK2alpha' (1 to 350 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay

Bioorg Med Chem 24: 1136-41 (2016)


Article DOI: 10.1016/j.bmc.2016.01.043
BindingDB Entry DOI: 10.7270/Q2BK1F7G
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))		BDBM50144655
PNG
(CHEMBL3758606)
Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cc1OCc1ccccn1)C(O)=O
Show InChI InChI=1S/C24H19N3O5S/c1-31-18-8-5-15(6-9-18)22(28)27-24-26-13-21(33-24)19-10-7-16(23(29)30)12-20(19)32-14-17-4-2-3-11-25-17/h2-13H,14H2,1H3,(H,29,30)(H,26,27,28)
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n/an/a 9.5n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human CK2alpha' (1 to 350 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay

Bioorg Med Chem 24: 1136-41 (2016)


Article DOI: 10.1016/j.bmc.2016.01.043
BindingDB Entry DOI: 10.7270/Q2BK1F7G
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))		BDBM50144688
PNG
(CHEMBL3758317)
Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(nn1)C(O)=O
Show InChI InChI=1S/C16H12N4O4S/c1-24-10-4-2-9(3-5-10)14(21)18-16-17-8-13(25-16)11-6-7-12(15(22)23)20-19-11/h2-8H,1H3,(H,22,23)(H,17,18,21)
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n/an/a 9.60n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human CK2alpha' (1 to 350 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay

Bioorg Med Chem 24: 1136-41 (2016)


Article DOI: 10.1016/j.bmc.2016.01.043
BindingDB Entry DOI: 10.7270/Q2BK1F7G
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))		BDBM50144682
PNG
(CHEMBL3759512)
Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cc1OCc1ccccc1Cl)C(O)=O
Show InChI InChI=1S/C25H19ClN2O5S/c1-32-18-9-6-15(7-10-18)23(29)28-25-27-13-22(34-25)19-11-8-16(24(30)31)12-21(19)33-14-17-4-2-3-5-20(17)26/h2-13H,14H2,1H3,(H,30,31)(H,27,28,29)
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n/an/a 9.80n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human CK2alpha' (1 to 350 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay

Bioorg Med Chem 24: 1136-41 (2016)


Article DOI: 10.1016/j.bmc.2016.01.043
BindingDB Entry DOI: 10.7270/Q2BK1F7G
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))		BDBM50144686
PNG
(CHEMBL3758519)
Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cc1Oc1ccccc1)C(O)=O
Show InChI InChI=1S/C24H18N2O5S/c1-30-17-10-7-15(8-11-17)22(27)26-24-25-14-21(32-24)19-12-9-16(23(28)29)13-20(19)31-18-5-3-2-4-6-18/h2-14H,1H3,(H,28,29)(H,25,26,27)
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n/an/a 10n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human CK2alpha' (1 to 350 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay

Bioorg Med Chem 24: 1136-41 (2016)


Article DOI: 10.1016/j.bmc.2016.01.043
BindingDB Entry DOI: 10.7270/Q2BK1F7G
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))		BDBM50144689
PNG
(CHEMBL3759755)
Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cn1)C(O)=O
Show InChI InChI=1S/C17H13N3O4S/c1-24-12-5-2-10(3-6-12)15(21)20-17-19-9-14(25-17)13-7-4-11(8-18-13)16(22)23/h2-9H,1H3,(H,22,23)(H,19,20,21)
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n/an/a 10n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human CK2alpha' (1 to 350 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay

Bioorg Med Chem 24: 1136-41 (2016)


Article DOI: 10.1016/j.bmc.2016.01.043
BindingDB Entry DOI: 10.7270/Q2BK1F7G
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(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 11n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human CK2alpha' (1 to 350 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay

Bioorg Med Chem 24: 1136-41 (2016)


Article DOI: 10.1016/j.bmc.2016.01.043
BindingDB Entry DOI: 10.7270/Q2BK1F7G
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Casein kinase II subunit alpha'


(Homo sapiens (Human))		BDBM50144670
PNG
(CHEMBL3759349)
Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cc1OCc1ccccc1C#N)C(O)=O
Show InChI InChI=1S/C26H19N3O5S/c1-33-20-9-6-16(7-10-20)24(30)29-26-28-14-23(35-26)21-11-8-17(25(31)32)12-22(21)34-15-19-5-3-2-4-18(19)13-27/h2-12,14H,15H2,1H3,(H,31,32)(H,28,29,30)
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n/an/a 11n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human CK2alpha' (1 to 350 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay

Bioorg Med Chem 24: 1136-41 (2016)


Article DOI: 10.1016/j.bmc.2016.01.043
BindingDB Entry DOI: 10.7270/Q2BK1F7G
More data for this
Ligand-Target Pair
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 11n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human CK2alpha' (1 to 350 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay

Bioorg Med Chem 24: 1136-41 (2016)


Article DOI: 10.1016/j.bmc.2016.01.043
BindingDB Entry DOI: 10.7270/Q2BK1F7G
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Casein kinase II subunit alpha'


(Homo sapiens (Human))		BDBM50144683
PNG
(CHEMBL3760009)
Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cc1OCCc1ccccc1)C(O)=O
Show InChI InChI=1S/C26H22N2O5S/c1-32-20-10-7-18(8-11-20)24(29)28-26-27-16-23(34-26)21-12-9-19(25(30)31)15-22(21)33-14-13-17-5-3-2-4-6-17/h2-12,15-16H,13-14H2,1H3,(H,30,31)(H,27,28,29)
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n/an/a 11n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human CK2alpha' (1 to 350 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay

Bioorg Med Chem 24: 1136-41 (2016)


Article DOI: 10.1016/j.bmc.2016.01.043
BindingDB Entry DOI: 10.7270/Q2BK1F7G
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))		BDBM50144684
PNG
(CHEMBL3760064)
Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cc1COc1ccccc1)C(O)=O
Show InChI InChI=1S/C25H20N2O5S/c1-31-19-10-7-16(8-11-19)23(28)27-25-26-14-22(33-25)21-12-9-17(24(29)30)13-18(21)15-32-20-5-3-2-4-6-20/h2-14H,15H2,1H3,(H,29,30)(H,26,27,28)
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n/an/a 12n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human CK2alpha' (1 to 350 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay

Bioorg Med Chem 24: 1136-41 (2016)


Article DOI: 10.1016/j.bmc.2016.01.043
BindingDB Entry DOI: 10.7270/Q2BK1F7G
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))		BDBM50144685
PNG
(CHEMBL3758270)
Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cc1OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C25H20N2O5S/c1-31-19-10-7-17(8-11-19)23(28)27-25-26-14-22(33-25)20-12-9-18(24(29)30)13-21(20)32-15-16-5-3-2-4-6-16/h2-14H,15H2,1H3,(H,29,30)(H,26,27,28)
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n/an/a 12n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human CK2alpha' (1 to 350 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay

Bioorg Med Chem 24: 1136-41 (2016)


Article DOI: 10.1016/j.bmc.2016.01.043
BindingDB Entry DOI: 10.7270/Q2BK1F7G
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))		BDBM50144677
PNG
(CHEMBL3758895)
Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cc1OCc1ccccc1OC)C(O)=O
Show InChI InChI=1S/C26H22N2O6S/c1-32-19-10-7-16(8-11-19)24(29)28-26-27-14-23(35-26)20-12-9-17(25(30)31)13-22(20)34-15-18-5-3-4-6-21(18)33-2/h3-14H,15H2,1-2H3,(H,30,31)(H,27,28,29)
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n/an/a 13n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human CK2alpha' (1 to 350 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay

Bioorg Med Chem 24: 1136-41 (2016)


Article DOI: 10.1016/j.bmc.2016.01.043
BindingDB Entry DOI: 10.7270/Q2BK1F7G
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))		BDBM50144688
PNG
(CHEMBL3758317)
Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(nn1)C(O)=O
Show InChI InChI=1S/C16H12N4O4S/c1-24-10-4-2-9(3-5-10)14(21)18-16-17-8-13(25-16)11-6-7-12(15(22)23)20-19-11/h2-8H,1H3,(H,22,23)(H,17,18,21)
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n/an/a 14n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human CK2alpha (1 to 391 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay

Bioorg Med Chem 24: 1136-41 (2016)


Article DOI: 10.1016/j.bmc.2016.01.043
BindingDB Entry DOI: 10.7270/Q2BK1F7G
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))		BDBM50144679
PNG
(CHEMBL3759871)
Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cc1OCc1ccccc1F)C(O)=O
Show InChI InChI=1S/C25H19FN2O5S/c1-32-18-9-6-15(7-10-18)23(29)28-25-27-13-22(34-25)19-11-8-16(24(30)31)12-21(19)33-14-17-4-2-3-5-20(17)26/h2-13H,14H2,1H3,(H,30,31)(H,27,28,29)
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n/an/a 14n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human CK2alpha (1 to 391 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay

Bioorg Med Chem 24: 1136-41 (2016)


Article DOI: 10.1016/j.bmc.2016.01.043
BindingDB Entry DOI: 10.7270/Q2BK1F7G
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))		BDBM50144678
PNG
(CHEMBL3758777)
Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cc1OCc1ccccc1Br)C(O)=O
Show InChI InChI=1S/C25H19BrN2O5S/c1-32-18-9-6-15(7-10-18)23(29)28-25-27-13-22(34-25)19-11-8-16(24(30)31)12-21(19)33-14-17-4-2-3-5-20(17)26/h2-13H,14H2,1H3,(H,30,31)(H,27,28,29)
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n/an/a 14n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human CK2alpha' (1 to 350 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay

Bioorg Med Chem 24: 1136-41 (2016)


Article DOI: 10.1016/j.bmc.2016.01.043
BindingDB Entry DOI: 10.7270/Q2BK1F7G
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))		BDBM50144677
PNG
(CHEMBL3758895)
Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cc1OCc1ccccc1OC)C(O)=O
Show InChI InChI=1S/C26H22N2O6S/c1-32-19-10-7-16(8-11-19)24(29)28-26-27-14-23(35-26)20-12-9-17(25(30)31)13-22(20)34-15-18-5-3-4-6-21(18)33-2/h3-14H,15H2,1-2H3,(H,30,31)(H,27,28,29)
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n/an/a 14n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human CK2alpha (1 to 391 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay

Bioorg Med Chem 24: 1136-41 (2016)


Article DOI: 10.1016/j.bmc.2016.01.043
BindingDB Entry DOI: 10.7270/Q2BK1F7G
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))		BDBM50144689
PNG
(CHEMBL3759755)
Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cn1)C(O)=O
Show InChI InChI=1S/C17H13N3O4S/c1-24-12-5-2-10(3-6-12)15(21)20-17-19-9-14(25-17)13-7-4-11(8-18-13)16(22)23/h2-9H,1H3,(H,22,23)(H,19,20,21)
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n/an/a 14n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human CK2alpha (1 to 391 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay

Bioorg Med Chem 24: 1136-41 (2016)


Article DOI: 10.1016/j.bmc.2016.01.043
BindingDB Entry DOI: 10.7270/Q2BK1F7G
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))		BDBM50144655
PNG
(CHEMBL3758606)
Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cc1OCc1ccccn1)C(O)=O
Show InChI InChI=1S/C24H19N3O5S/c1-31-18-8-5-15(6-9-18)22(28)27-24-26-13-21(33-24)19-10-7-16(23(29)30)12-20(19)32-14-17-4-2-3-11-25-17/h2-13H,14H2,1H3,(H,29,30)(H,26,27,28)
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n/an/a 15n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human CK2alpha (1 to 391 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay

Bioorg Med Chem 24: 1136-41 (2016)


Article DOI: 10.1016/j.bmc.2016.01.043
BindingDB Entry DOI: 10.7270/Q2BK1F7G
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))		BDBM50144683
PNG
(CHEMBL3760009)
Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cc1OCCc1ccccc1)C(O)=O
Show InChI InChI=1S/C26H22N2O5S/c1-32-20-10-7-18(8-11-20)24(29)28-26-27-16-23(34-26)21-12-9-19(25(30)31)15-22(21)33-14-13-17-5-3-2-4-6-17/h2-12,15-16H,13-14H2,1H3,(H,30,31)(H,27,28,29)
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n/an/a 15n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human CK2alpha (1 to 391 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay

Bioorg Med Chem 24: 1136-41 (2016)


Article DOI: 10.1016/j.bmc.2016.01.043
BindingDB Entry DOI: 10.7270/Q2BK1F7G
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))		BDBM50144686
PNG
(CHEMBL3758519)
Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cc1Oc1ccccc1)C(O)=O
Show InChI InChI=1S/C24H18N2O5S/c1-30-17-10-7-15(8-11-17)22(27)26-24-25-14-21(32-24)19-12-9-16(23(28)29)13-20(19)31-18-5-3-2-4-6-18/h2-14H,1H3,(H,28,29)(H,25,26,27)
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n/an/a 15n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human CK2alpha (1 to 391 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay

Bioorg Med Chem 24: 1136-41 (2016)


Article DOI: 10.1016/j.bmc.2016.01.043
BindingDB Entry DOI: 10.7270/Q2BK1F7G
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))		BDBM50144682
PNG
(CHEMBL3759512)
Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cc1OCc1ccccc1Cl)C(O)=O
Show InChI InChI=1S/C25H19ClN2O5S/c1-32-18-9-6-15(7-10-18)23(29)28-25-27-13-22(34-25)19-11-8-16(24(30)31)12-21(19)33-14-17-4-2-3-5-20(17)26/h2-13H,14H2,1H3,(H,30,31)(H,27,28,29)
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n/an/a 16n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human CK2alpha (1 to 391 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay

Bioorg Med Chem 24: 1136-41 (2016)


Article DOI: 10.1016/j.bmc.2016.01.043
BindingDB Entry DOI: 10.7270/Q2BK1F7G
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))		BDBM50144670
PNG
(CHEMBL3759349)
Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cc1OCc1ccccc1C#N)C(O)=O
Show InChI InChI=1S/C26H19N3O5S/c1-33-20-9-6-16(7-10-20)24(30)29-26-28-14-23(35-26)21-11-8-17(25(31)32)12-22(21)34-15-19-5-3-2-4-18(19)13-27/h2-12,14H,15H2,1H3,(H,31,32)(H,28,29,30)
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n/an/a 16n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human CK2alpha (1 to 391 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay

Bioorg Med Chem 24: 1136-41 (2016)


Article DOI: 10.1016/j.bmc.2016.01.043
BindingDB Entry DOI: 10.7270/Q2BK1F7G
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))		BDBM50144654
PNG
(CHEMBL3760043)
Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(nc1)C(O)=O
Show InChI InChI=1S/C17H13N3O4S/c1-24-12-5-2-10(3-6-12)15(21)20-17-19-9-14(25-17)11-4-7-13(16(22)23)18-8-11/h2-9H,1H3,(H,22,23)(H,19,20,21)
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n/an/a 17n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human CK2alpha (1 to 391 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay

Bioorg Med Chem 24: 1136-41 (2016)


Article DOI: 10.1016/j.bmc.2016.01.043
BindingDB Entry DOI: 10.7270/Q2BK1F7G
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))		BDBM50144678
PNG
(CHEMBL3758777)
Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cc1OCc1ccccc1Br)C(O)=O
Show InChI InChI=1S/C25H19BrN2O5S/c1-32-18-9-6-15(7-10-18)23(29)28-25-27-13-22(34-25)19-11-8-16(24(30)31)12-21(19)33-14-17-4-2-3-5-20(17)26/h2-13H,14H2,1H3,(H,30,31)(H,27,28,29)
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n/an/a 17n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human CK2alpha (1 to 391 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay

Bioorg Med Chem 24: 1136-41 (2016)


Article DOI: 10.1016/j.bmc.2016.01.043
BindingDB Entry DOI: 10.7270/Q2BK1F7G
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))		BDBM50144685
PNG
(CHEMBL3758270)
Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cc1OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C25H20N2O5S/c1-31-19-10-7-17(8-11-19)23(28)27-25-26-14-22(33-25)20-12-9-18(24(29)30)13-21(20)32-15-16-5-3-2-4-6-16/h2-14H,15H2,1H3,(H,29,30)(H,26,27,28)
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n/an/a 19n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human CK2alpha (1 to 391 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay

Bioorg Med Chem 24: 1136-41 (2016)


Article DOI: 10.1016/j.bmc.2016.01.043
BindingDB Entry DOI: 10.7270/Q2BK1F7G
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))		BDBM50144680
PNG
(CHEMBL3759193)
Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cc1OCc1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C25H19ClN2O5S/c1-32-19-9-4-16(5-10-19)23(29)28-25-27-13-22(34-25)20-11-6-17(24(30)31)12-21(20)33-14-15-2-7-18(26)8-3-15/h2-13H,14H2,1H3,(H,30,31)(H,27,28,29)
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n/an/a 19n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human CK2alpha' (1 to 350 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay

Bioorg Med Chem 24: 1136-41 (2016)


Article DOI: 10.1016/j.bmc.2016.01.043
BindingDB Entry DOI: 10.7270/Q2BK1F7G
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(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 19n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human CK2alpha (1 to 391 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay

Bioorg Med Chem 24: 1136-41 (2016)


Article DOI: 10.1016/j.bmc.2016.01.043
BindingDB Entry DOI: 10.7270/Q2BK1F7G
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 20n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human CK2alpha (1 to 391 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay

Bioorg Med Chem 24: 1136-41 (2016)


Article DOI: 10.1016/j.bmc.2016.01.043
BindingDB Entry DOI: 10.7270/Q2BK1F7G
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Casein kinase II subunit alpha


(Homo sapiens (Human))		BDBM50144680
PNG
(CHEMBL3759193)
Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cc1OCc1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C25H19ClN2O5S/c1-32-19-9-4-16(5-10-19)23(29)28-25-27-13-22(34-25)20-11-6-17(24(30)31)12-21(20)33-14-15-2-7-18(26)8-3-15/h2-13H,14H2,1H3,(H,30,31)(H,27,28,29)
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n/an/a 26n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human CK2alpha (1 to 391 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay

Bioorg Med Chem 24: 1136-41 (2016)


Article DOI: 10.1016/j.bmc.2016.01.043
BindingDB Entry DOI: 10.7270/Q2BK1F7G
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))		BDBM50144684
PNG
(CHEMBL3760064)
Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cc1COc1ccccc1)C(O)=O
Show InChI InChI=1S/C25H20N2O5S/c1-31-19-10-7-16(8-11-19)23(28)27-25-26-14-22(33-25)21-12-9-17(24(29)30)13-18(21)15-32-20-5-3-2-4-6-20/h2-14H,15H2,1H3,(H,29,30)(H,26,27,28)
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n/an/a 28n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human CK2alpha (1 to 391 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay

Bioorg Med Chem 24: 1136-41 (2016)


Article DOI: 10.1016/j.bmc.2016.01.043
BindingDB Entry DOI: 10.7270/Q2BK1F7G
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))		BDBM50144681
PNG
(CHEMBL3759388)
Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cc1OCc1cccc(Cl)c1)C(O)=O
Show InChI InChI=1S/C25H19ClN2O5S/c1-32-19-8-5-16(6-9-19)23(29)28-25-27-13-22(34-25)20-10-7-17(24(30)31)12-21(20)33-14-15-3-2-4-18(26)11-15/h2-13H,14H2,1H3,(H,30,31)(H,27,28,29)
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n/an/a 160n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human CK2alpha' (1 to 350 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay

Bioorg Med Chem 24: 1136-41 (2016)


Article DOI: 10.1016/j.bmc.2016.01.043
BindingDB Entry DOI: 10.7270/Q2BK1F7G
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))		BDBM50144687
PNG
(CHEMBL3758475)
Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(C(O)=O)c2ccccc12
Show InChI InChI=1S/C22H16N2O4S/c1-28-14-8-6-13(7-9-14)20(25)24-22-23-12-19(29-22)17-10-11-18(21(26)27)16-5-3-2-4-15(16)17/h2-12H,1H3,(H,26,27)(H,23,24,25)
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n/an/a 280n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human CK2alpha' (1 to 350 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay

Bioorg Med Chem 24: 1136-41 (2016)


Article DOI: 10.1016/j.bmc.2016.01.043
BindingDB Entry DOI: 10.7270/Q2BK1F7G
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))		BDBM50144681
PNG
(CHEMBL3759388)
Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cc1OCc1cccc(Cl)c1)C(O)=O
Show InChI InChI=1S/C25H19ClN2O5S/c1-32-19-8-5-16(6-9-19)23(29)28-25-27-13-22(34-25)20-10-7-17(24(30)31)12-21(20)33-14-15-3-2-4-18(26)11-15/h2-13H,14H2,1H3,(H,30,31)(H,27,28,29)
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n/an/a 330n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human CK2alpha (1 to 391 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay

Bioorg Med Chem 24: 1136-41 (2016)


Article DOI: 10.1016/j.bmc.2016.01.043
BindingDB Entry DOI: 10.7270/Q2BK1F7G
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))		BDBM50144687
PNG
(CHEMBL3758475)
Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(C(O)=O)c2ccccc12
Show InChI InChI=1S/C22H16N2O4S/c1-28-14-8-6-13(7-9-14)20(25)24-22-23-12-19(29-22)17-10-11-18(21(26)27)16-5-3-2-4-15(16)17/h2-12H,1H3,(H,26,27)(H,23,24,25)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human CK2alpha (1 to 391 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay

Bioorg Med Chem 24: 1136-41 (2016)


Article DOI: 10.1016/j.bmc.2016.01.043
BindingDB Entry DOI: 10.7270/Q2BK1F7G
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%