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Compile Data Set for Download or QSAR

Found 45 hits with Last Name = 'battistutta' and Initial = 'r'   
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))
BDBM11319
PNG
((5-oxo-5,6-dihydroindolo[1,2-a]quinazolin-7-yl)ace...)
Show SMILES OC(=O)Cc1c2ccccc2n2c1[nH]c(=O)c1ccccc21
Show InChI InChI=1S/C17H12N2O3/c20-15(21)9-12-10-5-1-3-7-13(10)19-14-8-4-2-6-11(14)17(22)18-16(12)19/h1-8H,9H2,(H,18,22)(H,20,21)
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170 -38.2 390n/an/an/an/a7.522



University of Padova



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP/ [gam...


Biochem J 374: 639-46 (2003)


Article DOI: 10.1042/BJ20030674
BindingDB Entry DOI: 10.7270/Q2BV7DTQ
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Zea mays (Maize))
BDBM11315
PNG
(1,4-diamino-5,8-dihydroxy-9,10-dihydroanthracene-9...)
Show SMILES Nc1ccc(N)c2C(=O)c3c(O)ccc(O)c3C(=O)c12
Show InChI InChI=1S/C14H10N2O4/c15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20/h1-4,17-18H,15-16H2
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350 -36.5n/an/an/an/an/a7.522



University of Padova



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP/ [gam...


J Biol Chem 278: 1831-6 (2003)


Article DOI: 10.1074/jbc.M209367200
BindingDB Entry DOI: 10.7270/Q2GH9G5K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM11323
PNG
(4,5,6,7-tetrabromo-1H-1,2,3-benzotriazole | 4,5,6,...)
Show SMILES Brc1c(Br)c(Br)c2[nH]nnc2c1Br
Show InChI InChI=1S/C6HBr4N3/c7-1-2(8)4(10)6-5(3(1)9)11-13-12-6/h(H,11,12,13)
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400 -36.2 500n/an/an/an/a7.522



University of Padova



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP/ [gam...


Biochem J 374: 639-46 (2003)


Article DOI: 10.1042/BJ20030674
BindingDB Entry DOI: 10.7270/Q2BV7DTQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM7458
PNG
(5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
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740 -34.6n/an/an/an/an/a7.522



University of Padova



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP/ [gam...


Biochem J 374: 639-46 (2003)


Article DOI: 10.1042/BJ20030674
BindingDB Entry DOI: 10.7270/Q2BV7DTQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase II subunit alpha


(Zea mays (Maize))
BDBM11313
PNG
(1,8-dihydroxy-4-nitro-anthraquinone | 4,5-dihydrox...)
Show SMILES Oc1cccc2C(=O)c3c(ccc(O)c3C(=O)c12)[N+]([O-])=O
Show InChI InChI=1S/C14H7NO6/c16-8-3-1-2-6-10(8)14(19)12-9(17)5-4-7(15(20)21)11(12)13(6)18/h1-5,16-17H
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780 -34.5n/an/an/an/an/a7.522



University of Padova



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP/ [gam...


J Biol Chem 278: 1831-6 (2003)


Article DOI: 10.1074/jbc.M209367200
BindingDB Entry DOI: 10.7270/Q2GH9G5K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase II subunit alpha


(Zea mays (Maize))
BDBM11314
PNG
(1,8-dihydroxy-4-nitro-9H-xanthen-9-one | 1,8-dihyd...)
Show SMILES Oc1cccc2oc3c(ccc(O)c3c(=O)c12)[N+]([O-])=O
Show InChI InChI=1S/C13H7NO6/c15-7-2-1-3-9-10(7)12(17)11-8(16)5-4-6(14(18)19)13(11)20-9/h1-5,15-16H
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800 -34.4n/an/an/an/an/a7.522



University of Padova



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP/ [gam...


J Biol Chem 278: 1831-6 (2003)


Article DOI: 10.1074/jbc.M209367200
BindingDB Entry DOI: 10.7270/Q2GH9G5K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM7460
PNG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
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1.18E+3 -33.5n/an/an/an/an/a7.522



University of Padova



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP/ [gam...


Biochem J 374: 639-46 (2003)


Article DOI: 10.1042/BJ20030674
BindingDB Entry DOI: 10.7270/Q2BV7DTQ
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM11318
PNG
(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
Show SMILES Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1
Show InChI InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3
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1.85E+3 -32.4 890n/an/an/an/a7.522



University of Padova



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP/ [gam...


Biochem J 374: 639-46 (2003)


Article DOI: 10.1042/BJ20030674
BindingDB Entry DOI: 10.7270/Q2BV7DTQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase II subunit alpha


(Zea mays (Maize))
BDBM11318
PNG
(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
Show SMILES Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1
Show InChI InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3
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1.85E+3 -32.4n/an/an/an/an/a7.522



University of Padova



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP/ [gam...


J Biol Chem 278: 1831-6 (2003)


Article DOI: 10.1074/jbc.M209367200
BindingDB Entry DOI: 10.7270/Q2GH9G5K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM11324
PNG
((2R,3R,4S,5R)-2-(5,6-dichloro-1H-1,3-benzodiazol-1...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2cc(Cl)c(Cl)cc12 |r|
Show InChI InChI=1S/C12H12Cl2N2O4/c13-5-1-7-8(2-6(5)14)16(4-15-7)12-11(19)10(18)9(3-17)20-12/h1-2,4,9-12,17-19H,3H2/t9-,10-,11-,12-/m1/s1
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4.50E+3 -30.2n/an/an/an/an/a7.522



University of Padova



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP/ [gam...


Biochem J 374: 639-46 (2003)


Article DOI: 10.1042/BJ20030674
BindingDB Entry DOI: 10.7270/Q2BV7DTQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase II subunit alpha


(Zea mays (Maize))
BDBM11317
PNG
(1,8-dihydroxy-9H-xanthen-9-one | Xanthenone-relate...)
Show SMILES Oc1cccc2oc3cccc(O)c3c(=O)c12
Show InChI InChI=1S/C13H8O4/c14-7-3-1-5-9-11(7)13(16)12-8(15)4-2-6-10(12)17-9/h1-6,14-15H
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>4.00E+4>-24.8n/an/an/an/an/a7.522



University of Padova



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP/ [gam...


J Biol Chem 278: 1831-6 (2003)


Article DOI: 10.1074/jbc.M209367200
BindingDB Entry DOI: 10.7270/Q2GH9G5K
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Casein kinase II subunit alpha


(Zea mays (Maize))
BDBM11316
PNG
(1,8-dihydroxy-9,10-dihydroanthracene-9,10-dione | ...)
Show SMILES Oc1cccc2C(=O)c3cccc(O)c3C(=O)c12
Show InChI InChI=1S/C14H8O4/c15-9-5-1-3-7-11(9)14(18)12-8(13(7)17)4-2-6-10(12)16/h1-6,15-16H
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>4.00E+4>-24.8n/an/an/an/an/a7.522



University of Padova



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP/ [gam...


J Biol Chem 278: 1831-6 (2003)


Article DOI: 10.1074/jbc.M209367200
BindingDB Entry DOI: 10.7270/Q2GH9G5K
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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))
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 1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CK2alpha (1 to 336 residues) expressed in Escherichia coli BL21 (DE3) using RRADDSDDDD as substrate incubated for 10 ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112267
BindingDB Entry DOI: 10.7270/Q2M330H3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
Casein kinase II subunit alpha 3


(Homo sapiens)
BDBM23451
PNG
(5,14-dihydroxy-8,17-dioxatetracyclo[8.7.0.0^{2,7}....)
Show SMILES Oc1ccc2c(c1)oc1c2c(=O)oc2cc(O)ccc12
Show InChI InChI=1S/C15H8O5/c16-7-1-3-9-11(5-7)19-14-10-4-2-8(17)6-12(10)20-15(18)13(9)14/h1-6,16-17H
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n/an/a 200n/an/an/an/an/an/a



University of Padua and Institute of Biomolecular Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human CK2 using HRRRDDD-SDDD-NH2 as substrate after 30 mins by ADP-Glo reagent based luminescence assay


J Nat Prod 82: 1014-1018 (2019)


Article DOI: 10.1021/acs.jnatprod.8b00889
BindingDB Entry DOI: 10.7270/Q269773G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50564382
PNG
(CHEMBL4795023)
Show SMILES COc1cc(\C=C(/C#N)C(=O)Nc2nnc(Br)s2)ccc1O
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n/an/a 280n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CK2alpha (1 to 336 residues) expressed in Escherichia coli BL21 (DE3) using RRADDSDDDD as substrate incubated for 10 ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112267
BindingDB Entry DOI: 10.7270/Q2M330H3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50564384
PNG
(CHEMBL4784643)
Show SMILES Cc1nnc(NC(=O)C(=C\c2ccc(O)c(c2)[N+]([O-])=O)\C#N)s1
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n/an/a 320n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CK2alpha (1 to 336 residues) expressed in Escherichia coli BL21 (DE3) using RRADDSDDDD as substrate incubated for 10 ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112267
BindingDB Entry DOI: 10.7270/Q2M330H3
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50564388
PNG
(CHEMBL4776391)
Show SMILES COc1cc(\C=C(/C#N)C(=O)Nc2ccccc2O)ccc1O
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n/an/a 330n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CK2alpha (1 to 336 residues) expressed in Escherichia coli BL21 (DE3) using RRADDSDDDD as substrate incubated for 10 ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112267
BindingDB Entry DOI: 10.7270/Q2M330H3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50564381
PNG
(CHEMBL4778120)
Show SMILES COc1cc(\C=C(/C#N)C(=O)Nc2nnc(s2)C(C)(C)C)ccc1O
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n/an/a 360n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CK2alpha (1 to 336 residues) expressed in Escherichia coli BL21 (DE3) using RRADDSDDDD as substrate incubated for 10 ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112267
BindingDB Entry DOI: 10.7270/Q2M330H3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50252622
PNG
(CHEMBL4070389)
Show SMILES OC(=O)c1cccc(NC(=O)CCNC(=O)CCNCc2ccc(c(Cl)c2)-c2ccccc2)c1
Show InChI InChI=1S/C26H26ClN3O4/c27-23-15-18(9-10-22(23)19-5-2-1-3-6-19)17-28-13-11-24(31)29-14-12-25(32)30-21-8-4-7-20(16-21)26(33)34/h1-10,15-16,28H,11-14,17H2,(H,29,31)(H,30,32)(H,33,34)
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n/an/a 370n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CK2alpha (1 to 336 residues) expressed in Escherichia coli BL21 (DE3) using RRADDSDDDD as substrate incubated for 10 ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112267
BindingDB Entry DOI: 10.7270/Q2M330H3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50564387
PNG
(CHEMBL4789806)
Show SMILES COc1cc(\C=C(/C#N)C(=O)Nc2cc(ccc2Cl)C(F)(F)F)ccc1O
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n/an/a 370n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CK2alpha (1 to 336 residues) expressed in Escherichia coli BL21 (DE3) using RRADDSDDDD as substrate incubated for 10 ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112267
BindingDB Entry DOI: 10.7270/Q2M330H3
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50564385
PNG
(CHEMBL4798710)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)Nc2nnc(Br)s2)cc1[N+]([O-])=O
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n/an/a 370n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CK2alpha (1 to 336 residues) expressed in Escherichia coli BL21 (DE3) using RRADDSDDDD as substrate incubated for 10 ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112267
BindingDB Entry DOI: 10.7270/Q2M330H3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase II subunit alpha 3


(Homo sapiens)
BDBM50202318
PNG
((+)-boldine | (S)-(+)-Boldine | (S)-1,10-dimethoxy...)
Show SMILES COc1cc-2c(C[C@@H]3N(C)CCc4cc(O)c(OC)c-2c34)cc1O |r|
Show InChI InChI=1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1
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n/an/a 700n/an/an/an/an/an/a



University of Padua and Institute of Biomolecular Chemistry

Curated by ChEMBL


Assay Description
Inhibition of CK2 (unknown origin)


J Nat Prod 82: 1014-1018 (2019)


Article DOI: 10.1021/acs.jnatprod.8b00889
BindingDB Entry DOI: 10.7270/Q269773G
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50564383
PNG
(CHEMBL4783065)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)Nc2nnc(s2)C(F)(F)F)cc1[N+]([O-])=O
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n/an/a 710n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CK2alpha (1 to 336 residues) expressed in Escherichia coli BL21 (DE3) using RRADDSDDDD as substrate incubated for 10 ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112267
BindingDB Entry DOI: 10.7270/Q2M330H3
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50564380
PNG
(CHEMBL4799521)
Show SMILES COc1cc(\C=C(/C#N)C(=O)Nc2nnc(C)s2)ccc1O
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n/an/a 880n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CK2alpha (1 to 336 residues) expressed in Escherichia coli BL21 (DE3) using RRADDSDDDD as substrate incubated for 10 ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112267
BindingDB Entry DOI: 10.7270/Q2M330H3
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50564386
PNG
(CHEMBL4796675)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)Nc2nnc(Br)s2)cc1Br
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n/an/a 1.30E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CK2alpha (1 to 336 residues) expressed in Escherichia coli BL21 (DE3) using RRADDSDDDD as substrate incubated for 10 ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112267
BindingDB Entry DOI: 10.7270/Q2M330H3
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50564379
PNG
(CHEMBL4792639)
Show SMILES COc1cc(\C=C(/C#N)C(=O)Nc2nnc(s2)C(F)(F)F)ccc1O
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n/an/a 1.37E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CK2alpha (1 to 336 residues) expressed in Escherichia coli BL21 (DE3) using RRADDSDDDD as substrate incubated for 10 ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112267
BindingDB Entry DOI: 10.7270/Q2M330H3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
SRSF protein kinase 1


(Homo sapiens (Human))
BDBM50564378
PNG
(CHEMBL4787157)
Show SMILES COc1cc(\C=C2\C(=N)N3N=C(SC3=NC2=O)C(F)(F)F)ccc1O |c:10,14|
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n/an/a 2.40E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human SRPK1 expressed in Escherichia coli using RS peptide as substrate incubated for 15 mins in presence of ATP by Kinase-...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112267
BindingDB Entry DOI: 10.7270/Q2M330H3
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
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM11322
PNG
((3-chloro-phenyl)-(4-{2-[2-(1H-imidazol-4-yl)-ethy...)
Show SMILES Clc1cccc(Nc2nccc(n2)-c2ccnc(NCCc3cnc[nH]3)c2)c1
Show InChI InChI=1S/C20H18ClN7/c21-15-2-1-3-16(11-15)27-20-25-9-6-18(28-20)14-4-7-23-19(10-14)24-8-5-17-12-22-13-26-17/h1-4,6-7,9-13H,5,8H2,(H,22,26)(H,23,24)(H,25,27,28)
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n/an/a 3.20E+3n/an/an/an/a7.522



University of Padova



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP/ [gam...


Biochem J 374: 639-46 (2003)


Article DOI: 10.1042/BJ20030674
BindingDB Entry DOI: 10.7270/Q2BV7DTQ
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM11320
PNG
(3-{[4-(2-{[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ami...)
Show SMILES OCCCNc1cc(ccn1)-c1ccnc(Nc2cccc(OC(F)(F)C(F)F)c2)n1
Show InChI InChI=1S/C20H19F4N5O2/c21-18(22)20(23,24)31-15-4-1-3-14(12-15)28-19-27-9-6-16(29-19)13-5-8-26-17(11-13)25-7-2-10-30/h1,3-6,8-9,11-12,18,30H,2,7,10H2,(H,25,26)(H,27,28,29)
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n/an/a 3.60E+3n/an/an/an/a7.522



University of Padova



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP/ [gam...


Biochem J 374: 639-46 (2003)


Article DOI: 10.1042/BJ20030674
BindingDB Entry DOI: 10.7270/Q2BV7DTQ
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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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
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM11321
PNG
(4-{2-[(2-aminoethyl)amino]pyridin-4-yl}-N-(3-chlor...)
Show SMILES NCCNc1cc(ccn1)-c1ccnc(Nc2cccc(Cl)c2)n1
Show InChI InChI=1S/C17H17ClN6/c18-13-2-1-3-14(11-13)23-17-22-8-5-15(24-17)12-4-7-20-16(10-12)21-9-6-19/h1-5,7-8,10-11H,6,9,19H2,(H,20,21)(H,22,23,24)
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PubMed
n/an/a 9.60E+3n/an/an/an/a7.522



University of Padova



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP/ [gam...


Biochem J 374: 639-46 (2003)


Article DOI: 10.1042/BJ20030674
BindingDB Entry DOI: 10.7270/Q2BV7DTQ
More data for this
Ligand-Target Pair