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PubMed code 27311891

Compile data set for download or QSAR
Found 14 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 20n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human CK2alpha (2 to 391 residues) using [33P]-ATP by scintillation counting based radioactive filter binding assay


Bioorg Med Chem Lett 26: 3594-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.013
BindingDB Entry DOI: 10.7270/Q2V40X4Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50185757
PNG
(CHEMBL3823403)
Show SMILES NC(=O)Cc1csc(NC(=O)c2n[nH]c3ccccc23)n1
Show InChI InChI=1S/C13H11N5O2S/c14-10(19)5-7-6-21-13(15-7)16-12(20)11-8-3-1-2-4-9(8)17-18-11/h1-4,6H,5H2,(H2,14,19)(H,17,18)(H,15,16,20)
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n/an/a 520n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human CK2alpha (2 to 391 residues) using [33P]-ATP by scintillation counting based radioactive filter binding assay


Bioorg Med Chem Lett 26: 3594-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.013
BindingDB Entry DOI: 10.7270/Q2V40X4Q
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50185763
PNG
(CHEMBL3824310)
Show SMILES CS(=O)(=O)c1cccc(NC(=O)c2n[nH]c3ccccc23)c1
Show InChI InChI=1S/C15H13N3O3S/c1-22(20,21)11-6-4-5-10(9-11)16-15(19)14-12-7-2-3-8-13(12)17-18-14/h2-9H,1H3,(H,16,19)(H,17,18)
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n/an/a 1.09E+4n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human CK2alpha (2 to 391 residues) using [33P]-ATP by scintillation counting based radioactive filter binding assay


Bioorg Med Chem Lett 26: 3594-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.013
BindingDB Entry DOI: 10.7270/Q2V40X4Q
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50185762
PNG
(CHEMBL3823253)
Show SMILES Cc1ccc(NC(=O)c2n[nH]c3ccccc23)cc1NS(C)(=O)=O
Show InChI InChI=1S/C16H16N4O3S/c1-10-7-8-11(9-14(10)20-24(2,22)23)17-16(21)15-12-5-3-4-6-13(12)18-19-15/h3-9,20H,1-2H3,(H,17,21)(H,18,19)
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n/an/a 1.15E+4n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human CK2alpha (2 to 391 residues) using [33P]-ATP by scintillation counting based radioactive filter binding assay


Bioorg Med Chem Lett 26: 3594-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.013
BindingDB Entry DOI: 10.7270/Q2V40X4Q
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50185759
PNG
(CHEMBL3823241)
Show SMILES O=C(Nc1ccc2OCCOc2c1)c1n[nH]c2ccccc12
Show InChI InChI=1S/C16H13N3O3/c20-16(15-11-3-1-2-4-12(11)18-19-15)17-10-5-6-13-14(9-10)22-8-7-21-13/h1-6,9H,7-8H2,(H,17,20)(H,18,19)
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n/an/a 1.52E+4n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human CK2alpha (2 to 391 residues) using [33P]-ATP by scintillation counting based radioactive filter binding assay


Bioorg Med Chem Lett 26: 3594-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.013
BindingDB Entry DOI: 10.7270/Q2V40X4Q
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50185764
PNG
(CHEMBL3824125)
Show SMILES CS(=O)(=O)Nc1ccc(NC(=O)c2n[nH]c3ccccc23)cc1
Show InChI InChI=1S/C15H14N4O3S/c1-23(21,22)19-11-8-6-10(7-9-11)16-15(20)14-12-4-2-3-5-13(12)17-18-14/h2-9,19H,1H3,(H,16,20)(H,17,18)
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n/an/a 1.61E+4n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human CK2alpha (2 to 391 residues) using [33P]-ATP by scintillation counting based radioactive filter binding assay


Bioorg Med Chem Lett 26: 3594-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.013
BindingDB Entry DOI: 10.7270/Q2V40X4Q
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50185766
PNG
(CHEMBL3823073)
Show SMILES NC(=O)Cc1cccc(NC(=O)c2n[nH]c3ccccc23)c1
Show InChI InChI=1S/C16H14N4O2/c17-14(21)9-10-4-3-5-11(8-10)18-16(22)15-12-6-1-2-7-13(12)19-20-15/h1-8H,9H2,(H2,17,21)(H,18,22)(H,19,20)
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n/an/a 1.69E+4n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human CK2alpha (2 to 391 residues) using [33P]-ATP by scintillation counting based radioactive filter binding assay


Bioorg Med Chem Lett 26: 3594-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.013
BindingDB Entry DOI: 10.7270/Q2V40X4Q
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50185761
PNG
(CHEMBL3823802)
Show SMILES CS(=O)(=O)Cc1cc(NC(=O)c2n[nH]c3ccccc23)ccc1Cl
Show InChI InChI=1S/C16H14ClN3O3S/c1-24(22,23)9-10-8-11(6-7-13(10)17)18-16(21)15-12-4-2-3-5-14(12)19-20-15/h2-8H,9H2,1H3,(H,18,21)(H,19,20)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human CK2alpha (2 to 391 residues) using [33P]-ATP by scintillation counting based radioactive filter binding assay


Bioorg Med Chem Lett 26: 3594-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.013
BindingDB Entry DOI: 10.7270/Q2V40X4Q
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50185767
PNG
(CHEMBL3823680)
Show SMILES Cc1ccc(NC(=O)c2n[nH]c3ccc(cc23)[N+]([O-])=O)cc1S(N)(=O)=O
Show InChI InChI=1S/C15H13N5O5S/c1-8-2-3-9(6-13(8)26(16,24)25)17-15(21)14-11-7-10(20(22)23)4-5-12(11)18-19-14/h2-7H,1H3,(H,17,21)(H,18,19)(H2,16,24,25)
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n/an/a 7.93E+4n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human CK2alpha (2 to 391 residues) using [33P]-ATP by scintillation counting based radioactive filter binding assay


Bioorg Med Chem Lett 26: 3594-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.013
BindingDB Entry DOI: 10.7270/Q2V40X4Q
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50185765
PNG
(CHEMBL3823185)
Show SMILES O=C(Nc1cccc(NC(=O)c2n[nH]c3ccccc23)c1)C1CC1
Show InChI InChI=1S/C18H16N4O2/c23-17(11-8-9-11)19-12-4-3-5-13(10-12)20-18(24)16-14-6-1-2-7-15(14)21-22-16/h1-7,10-11H,8-9H2,(H,19,23)(H,20,24)(H,21,22)
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n/an/a 1.03E+5n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human CK2alpha (2 to 391 residues) using [33P]-ATP by scintillation counting based radioactive filter binding assay


Bioorg Med Chem Lett 26: 3594-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.013
BindingDB Entry DOI: 10.7270/Q2V40X4Q
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50185756
PNG
(CHEMBL3823658)
Show SMILES Fc1cccc2[nH]nc(NC(=O)c3ccc4OCCc4c3)c12
Show InChI InChI=1S/C16H12FN3O2/c17-11-2-1-3-12-14(11)15(20-19-12)18-16(21)10-4-5-13-9(8-10)6-7-22-13/h1-5,8H,6-7H2,(H2,18,19,20,21)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human CK2alpha (2 to 391 residues) using [33P]-ATP by scintillation counting based radioactive filter binding assay


Bioorg Med Chem Lett 26: 3594-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.013
BindingDB Entry DOI: 10.7270/Q2V40X4Q
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50185760
PNG
(CHEMBL3823560)
Show SMILES CCc1nnc(o1)-c1cccc(NC(=O)c2n[nH]c3ccccc23)c1
Show InChI InChI=1S/C18H15N5O2/c1-2-15-21-23-18(25-15)11-6-5-7-12(10-11)19-17(24)16-13-8-3-4-9-14(13)20-22-16/h3-10H,2H2,1H3,(H,19,24)(H,20,22)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human CK2alpha (2 to 391 residues) using [33P]-ATP by scintillation counting based radioactive filter binding assay


Bioorg Med Chem Lett 26: 3594-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.013
BindingDB Entry DOI: 10.7270/Q2V40X4Q
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50185768
PNG
(CHEMBL3822582)
Show SMILES [O-][N+](=O)c1ccc2[nH]nc(C(=O)Nc3ccccc3)c2c1
Show InChI InChI=1S/C14H10N4O3/c19-14(15-9-4-2-1-3-5-9)13-11-8-10(18(20)21)6-7-12(11)16-17-13/h1-8H,(H,15,19)(H,16,17)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human CK2alpha (2 to 391 residues) using [33P]-ATP by scintillation counting based radioactive filter binding assay


Bioorg Med Chem Lett 26: 3594-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.013
BindingDB Entry DOI: 10.7270/Q2V40X4Q
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50185758
PNG
(CHEMBL3823750)
Show SMILES Cc1cc2cc(NC(=O)c3n[nH]c4ccccc34)ccc2[nH]1
Show InChI InChI=1S/C17H14N4O/c1-10-8-11-9-12(6-7-14(11)18-10)19-17(22)16-13-4-2-3-5-15(13)20-21-16/h2-9,18H,1H3,(H,19,22)(H,20,21)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human CK2alpha (2 to 391 residues) using [33P]-ATP by scintillation counting based radioactive filter binding assay


Bioorg Med Chem Lett 26: 3594-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.013
BindingDB Entry DOI: 10.7270/Q2V40X4Q
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%