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PubMed code 21870818

Compile data set for download or QSAR
Found 15 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))
BDBM92757
PNG
(CX-5279)
Show SMILES [O-]C(=O)c1ccc2c(c1)nc(Nc1cccc(c1)C(F)(F)F)c1nc(NC3CC3)ncc21
Show InChI InChI=1S/C22H16F3N5O2/c23-22(24,25)12-2-1-3-14(9-12)27-19-18-16(10-26-21(30-18)28-13-5-6-13)15-7-4-11(20(31)32)8-17(15)29-19/h1-4,7-10,13H,5-6H2,(H,27,29)(H,31,32)(H,26,28,30)/p-1
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n/an/a 0.910n/an/an/an/an/an/a



Venetian Institute of Molecular Medicine



Assay Description
Phosphorylation assay using casein kinase 2.


Biochemistry 50: 8478-88 (2011)


Article DOI: 10.1021/bi2008382
BindingDB Entry DOI: 10.7270/Q2125R86
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM92755
PNG
(CX-4945)
Show SMILES [O-]C(=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)/p-1
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n/an/a 1.5n/an/an/an/an/an/a



Venetian Institute of Molecular Medicine



Assay Description
Phosphorylation assay using casein kinase 2.


Biochemistry 50: 8478-88 (2011)


Article DOI: 10.1021/bi2008382
BindingDB Entry DOI: 10.7270/Q2125R86
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM92756
PNG
(CX-5011)
Show SMILES [O-]C(=O)c1ccc2c(c1)nc(Nc1cccc(c1)C#C)c1ncncc21
Show InChI InChI=1S/C20H12N4O2/c1-2-12-4-3-5-14(8-12)23-19-18-16(10-21-11-22-18)15-7-6-13(20(25)26)9-17(15)24-19/h1,3-11H,(H,23,24)(H,25,26)/p-1
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n/an/a 2.07n/an/an/an/an/an/a



Venetian Institute of Molecular Medicine



Assay Description
Phosphorylation assay using casein kinase 2.


Biochemistry 50: 8478-88 (2011)


Article DOI: 10.1021/bi2008382
BindingDB Entry DOI: 10.7270/Q2125R86
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM92756
PNG
(CX-5011)
Show SMILES [O-]C(=O)c1ccc2c(c1)nc(Nc1cccc(c1)C#C)c1ncncc21
Show InChI InChI=1S/C20H12N4O2/c1-2-12-4-3-5-14(8-12)23-19-18-16(10-21-11-22-18)15-7-6-13(20(25)26)9-17(15)24-19/h1,3-11H,(H,23,24)(H,25,26)/p-1
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n/an/a 2.30n/an/an/an/an/an/a



Venetian Institute of Molecular Medicine



Assay Description
Phosphorylation assay using casein kinase 2.


Biochemistry 50: 8478-88 (2011)


Article DOI: 10.1021/bi2008382
BindingDB Entry DOI: 10.7270/Q2125R86
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM92756
PNG
(CX-5011)
Show SMILES [O-]C(=O)c1ccc2c(c1)nc(Nc1cccc(c1)C#C)c1ncncc21
Show InChI InChI=1S/C20H12N4O2/c1-2-12-4-3-5-14(8-12)23-19-18-16(10-21-11-22-18)15-7-6-13(20(25)26)9-17(15)24-19/h1,3-11H,(H,23,24)(H,25,26)/p-1
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n/an/a 2.32n/an/an/an/an/an/a



Venetian Institute of Molecular Medicine



Assay Description
Phosphorylation assay using casein kinase 2.


Biochemistry 50: 8478-88 (2011)


Article DOI: 10.1021/bi2008382
BindingDB Entry DOI: 10.7270/Q2125R86
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM92756
PNG
(CX-5011)
Show SMILES [O-]C(=O)c1ccc2c(c1)nc(Nc1cccc(c1)C#C)c1ncncc21
Show InChI InChI=1S/C20H12N4O2/c1-2-12-4-3-5-14(8-12)23-19-18-16(10-21-11-22-18)15-7-6-13(20(25)26)9-17(15)24-19/h1,3-11H,(H,23,24)(H,25,26)/p-1
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n/an/a 2.5n/an/an/an/an/an/a



Venetian Institute of Molecular Medicine



Assay Description
Phosphorylation assay using casein kinase 2.


Biochemistry 50: 8478-88 (2011)


Article DOI: 10.1021/bi2008382
BindingDB Entry DOI: 10.7270/Q2125R86
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM92755
PNG
(CX-4945)
Show SMILES [O-]C(=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)/p-1
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n/an/a 3.51n/an/an/an/an/an/a



Venetian Institute of Molecular Medicine



Assay Description
Phosphorylation assay using casein kinase 2.


Biochemistry 50: 8478-88 (2011)


Article DOI: 10.1021/bi2008382
BindingDB Entry DOI: 10.7270/Q2125R86
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM92757
PNG
(CX-5279)
Show SMILES [O-]C(=O)c1ccc2c(c1)nc(Nc1cccc(c1)C(F)(F)F)c1nc(NC3CC3)ncc21
Show InChI InChI=1S/C22H16F3N5O2/c23-22(24,25)12-2-1-3-14(9-12)27-19-18-16(10-26-21(30-18)28-13-5-6-13)15-7-4-11(20(31)32)8-17(15)29-19/h1-4,7-10,13H,5-6H2,(H,27,29)(H,31,32)(H,26,28,30)/p-1
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n/an/a 12.5n/an/an/an/an/an/a



Venetian Institute of Molecular Medicine



Assay Description
Phosphorylation assay using casein kinase 2.


Biochemistry 50: 8478-88 (2011)


Article DOI: 10.1021/bi2008382
BindingDB Entry DOI: 10.7270/Q2125R86
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM92755
PNG
(CX-4945)
Show SMILES [O-]C(=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)/p-1
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n/an/a 13.5n/an/an/an/an/an/a



Venetian Institute of Molecular Medicine



Assay Description
Phosphorylation assay using casein kinase 2.


Biochemistry 50: 8478-88 (2011)


Article DOI: 10.1021/bi2008382
BindingDB Entry DOI: 10.7270/Q2125R86
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM92757
PNG
(CX-5279)
Show SMILES [O-]C(=O)c1ccc2c(c1)nc(Nc1cccc(c1)C(F)(F)F)c1nc(NC3CC3)ncc21
Show InChI InChI=1S/C22H16F3N5O2/c23-22(24,25)12-2-1-3-14(9-12)27-19-18-16(10-26-21(30-18)28-13-5-6-13)15-7-4-11(20(31)32)8-17(15)29-19/h1-4,7-10,13H,5-6H2,(H,27,29)(H,31,32)(H,26,28,30)/p-1
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n/an/a 13.8n/an/an/an/an/an/a



Venetian Institute of Molecular Medicine



Assay Description
Phosphorylation assay using casein kinase 2.


Biochemistry 50: 8478-88 (2011)


Article DOI: 10.1021/bi2008382
BindingDB Entry DOI: 10.7270/Q2125R86
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM92755
PNG
(CX-4945)
Show SMILES [O-]C(=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)/p-1
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n/an/a 15n/an/an/an/an/an/a



Venetian Institute of Molecular Medicine



Assay Description
Phosphorylation assay using casein kinase 2.


Biochemistry 50: 8478-88 (2011)


Article DOI: 10.1021/bi2008382
BindingDB Entry DOI: 10.7270/Q2125R86
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM92757
PNG
(CX-5279)
Show SMILES [O-]C(=O)c1ccc2c(c1)nc(Nc1cccc(c1)C(F)(F)F)c1nc(NC3CC3)ncc21
Show InChI InChI=1S/C22H16F3N5O2/c23-22(24,25)12-2-1-3-14(9-12)27-19-18-16(10-26-21(30-18)28-13-5-6-13)15-7-4-11(20(31)32)8-17(15)29-19/h1-4,7-10,13H,5-6H2,(H,27,29)(H,31,32)(H,26,28,30)/p-1
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n/an/a 23.4n/an/an/an/an/an/a



Venetian Institute of Molecular Medicine



Assay Description
Phosphorylation assay using casein kinase 2.


Biochemistry 50: 8478-88 (2011)


Article DOI: 10.1021/bi2008382
BindingDB Entry DOI: 10.7270/Q2125R86
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM92755
PNG
(CX-4945)
Show SMILES [O-]C(=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)/p-1
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n/an/a 216n/an/an/an/an/an/a



Venetian Institute of Molecular Medicine



Assay Description
Phosphorylation assay using casein kinase 2.


Biochemistry 50: 8478-88 (2011)


Article DOI: 10.1021/bi2008382
BindingDB Entry DOI: 10.7270/Q2125R86
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM92756
PNG
(CX-5011)
Show SMILES [O-]C(=O)c1ccc2c(c1)nc(Nc1cccc(c1)C#C)c1ncncc21
Show InChI InChI=1S/C20H12N4O2/c1-2-12-4-3-5-14(8-12)23-19-18-16(10-21-11-22-18)15-7-6-13(20(25)26)9-17(15)24-19/h1,3-11H,(H,23,24)(H,25,26)/p-1
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n/an/a 2.51E+3n/an/an/an/an/an/a



Venetian Institute of Molecular Medicine



Assay Description
Phosphorylation assay using casein kinase 2.


Biochemistry 50: 8478-88 (2011)


Article DOI: 10.1021/bi2008382
BindingDB Entry DOI: 10.7270/Q2125R86
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM92757
PNG
(CX-5279)
Show SMILES [O-]C(=O)c1ccc2c(c1)nc(Nc1cccc(c1)C(F)(F)F)c1nc(NC3CC3)ncc21
Show InChI InChI=1S/C22H16F3N5O2/c23-22(24,25)12-2-1-3-14(9-12)27-19-18-16(10-26-21(30-18)28-13-5-6-13)15-7-4-11(20(31)32)8-17(15)29-19/h1-4,7-10,13H,5-6H2,(H,27,29)(H,31,32)(H,26,28,30)/p-1
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PubMed
n/an/a 8.52E+3n/an/an/an/an/an/a



Venetian Institute of Molecular Medicine



Assay Description
Phosphorylation assay using casein kinase 2.


Biochemistry 50: 8478-88 (2011)


Article DOI: 10.1021/bi2008382
BindingDB Entry DOI: 10.7270/Q2125R86
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%