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Compile Data Set for Download or QSAR

Found 84 hits with Last Name = 'meggio' and Initial = 'f'   
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


(Rattus norvegicus (Rat))
BDBM34046
PNG
(iodinated benzimidazole, 9a)
Show SMILES CCc1nc2c(I)c(I)c(I)c(I)c2[nH]1
Show InChI InChI=1S/C9H6I4N2/c1-2-3-14-8-6(12)4(10)5(11)7(13)9(8)15-3/h2H2,1H3,(H,14,15)
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19 -45.8n/an/an/an/an/a7.537



University of Padova



Assay Description
Inhibitory effect of test compound was assessed in reaction buffer containing purified CK2, synthetic peptide substrate, and [gamma-33P]ATP. Assays w...


Bioorg Med Chem 17: 7281-9 (2009)


Article DOI: 10.1016/j.bmc.2009.08.047
BindingDB Entry DOI: 10.7270/Q2NZ860P
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Rattus norvegicus (Rat))
BDBM34038
PNG
(4,5,6,7-tetraiodobenzimidazole (TIBI), 1a)
Show SMILES Ic1c(I)c(I)c2[nH]cnc2c1I
Show InChI InChI=1S/C7H2I4N2/c8-2-3(9)5(11)7-6(4(2)10)12-1-13-7/h1H,(H,12,13)
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23 -45.4n/an/an/an/an/a7.537



University of Padova



Assay Description
Inhibitory effect of test compound was assessed in reaction buffer containing purified CK2, synthetic peptide substrate, and [gamma-33P]ATP. Assays w...


Bioorg Med Chem 17: 7281-9 (2009)


Article DOI: 10.1016/j.bmc.2009.08.047
BindingDB Entry DOI: 10.7270/Q2NZ860P
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Rattus norvegicus (Rat))
BDBM34044
PNG
(iodinated benzimidazole, 7a)
Show SMILES Cc1nc2c(I)c(I)c(I)c(I)c2[nH]1
Show InChI InChI=1S/C8H4I4N2/c1-2-13-7-5(11)3(9)4(10)6(12)8(7)14-2/h1H3,(H,13,14)
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24 -45.2n/an/an/an/an/a7.537



University of Padova



Assay Description
Inhibitory effect of test compound was assessed in reaction buffer containing purified CK2, synthetic peptide substrate, and [gamma-33P]ATP. Assays w...


Bioorg Med Chem 17: 7281-9 (2009)


Article DOI: 10.1016/j.bmc.2009.08.047
BindingDB Entry DOI: 10.7270/Q2NZ860P
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Rattus norvegicus (Rat))
BDBM34051
PNG
(iodinated benzimidazole, 14)
Show SMILES OCCNc1nc2c(I)c(I)c(I)c(I)c2[nH]1
Show InChI InChI=1S/C9H7I4N3O/c10-3-4(11)6(13)8-7(5(3)12)15-9(16-8)14-1-2-17/h17H,1-2H2,(H2,14,15,16)
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27 -44.9n/an/an/an/an/a7.537



University of Padova



Assay Description
Inhibitory effect of test compound was assessed in reaction buffer containing purified CK2, synthetic peptide substrate, and [gamma-33P]ATP. Assays w...


Bioorg Med Chem 17: 7281-9 (2009)


Article DOI: 10.1016/j.bmc.2009.08.047
BindingDB Entry DOI: 10.7270/Q2NZ860P
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Rattus norvegicus (Rat))
BDBM34054
PNG
(iodinated benzimidazole, 17)
Show SMILES Ic1c(I)c(I)c2[nH]c(=O)[nH]c2c1I
Show InChI InChI=1S/C7H2I4N2O/c8-1-2(9)4(11)6-5(3(1)10)12-7(14)13-6/h(H2,12,13,14)
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50 -43.3n/an/an/an/an/a7.537



University of Padova



Assay Description
Inhibitory effect of test compound was assessed in reaction buffer containing purified CK2, synthetic peptide substrate, and [gamma-33P]ATP. Assays w...


Bioorg Med Chem 17: 7281-9 (2009)


Article DOI: 10.1016/j.bmc.2009.08.047
BindingDB Entry DOI: 10.7270/Q2NZ860P
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Rattus norvegicus (Rat))
BDBM34052
PNG
(iodinated benzimidazole, 15)
Show SMILES Ic1c(I)c(I)c2[nH]c(=S)[nH]c2c1I
Show InChI InChI=1S/C7H2I4N2S/c8-1-2(9)4(11)6-5(3(1)10)12-7(14)13-6/h(H2,12,13,14)
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50 -43.3n/an/an/an/an/a7.537



University of Padova



Assay Description
Inhibitory effect of test compound was assessed in reaction buffer containing purified CK2, synthetic peptide substrate, and [gamma-33P]ATP. Assays w...


Bioorg Med Chem 17: 7281-9 (2009)


Article DOI: 10.1016/j.bmc.2009.08.047
BindingDB Entry DOI: 10.7270/Q2NZ860P
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Rattus norvegicus (Rat))
BDBM34053
PNG
(iodinated benzimidazole, 16)
Show SMILES OC(=O)CSc1nc2c(I)c(I)c(I)c(I)c2[nH]1
Show InChI InChI=1S/C9H4I4N2O2S/c10-3-4(11)6(13)8-7(5(3)12)14-9(15-8)18-1-2(16)17/h1H2,(H,14,15)(H,16,17)
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54 -43.2n/an/an/an/an/a7.537



University of Padova



Assay Description
Inhibitory effect of test compound was assessed in reaction buffer containing purified CK2, synthetic peptide substrate, and [gamma-33P]ATP. Assays w...


Bioorg Med Chem 17: 7281-9 (2009)


Article DOI: 10.1016/j.bmc.2009.08.047
BindingDB Entry DOI: 10.7270/Q2NZ860P
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Rattus norvegicus (Rat))
BDBM34048
PNG
(iodinated benzimidazole, 11a)
Show SMILES FC(F)(F)C(F)(F)c1nc2c(I)c(I)c(I)c(I)c2[nH]1
Show InChI InChI=1S/C9HF5I4N2/c10-8(11,9(12,13)14)7-19-5-3(17)1(15)2(16)4(18)6(5)20-7/h(H,19,20)
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70 -42.5n/an/an/an/an/a7.537



University of Padova



Assay Description
Inhibitory effect of test compound was assessed in reaction buffer containing purified CK2, synthetic peptide substrate, and [gamma-33P]ATP. Assays w...


Bioorg Med Chem 17: 7281-9 (2009)


Article DOI: 10.1016/j.bmc.2009.08.047
BindingDB Entry DOI: 10.7270/Q2NZ860P
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Rattus norvegicus (Rat))
BDBM34043
PNG
(iodinated benzimidazole, 6a)
Show SMILES Brc1c(I)c(Br)c2nc[nH]c2c1I
Show InChI InChI=1S/C7H2Br2I2N2/c8-2-4(10)3(9)6-7(5(2)11)13-1-12-6/h1H,(H,12,13)
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75 -42.3n/an/an/an/an/a7.537



University of Padova



Assay Description
Inhibitory effect of test compound was assessed in reaction buffer containing purified CK2, synthetic peptide substrate, and [gamma-33P]ATP. Assays w...


Bioorg Med Chem 17: 7281-9 (2009)


Article DOI: 10.1016/j.bmc.2009.08.047
BindingDB Entry DOI: 10.7270/Q2NZ860P
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Rattus norvegicus (Rat))
BDBM34050
PNG
(iodinated benzimidazole, 13a)
Show SMILES Brc1nc2c(I)c(I)c(I)c(I)c2[nH]1
Show InChI InChI=1S/C7HBrI4N2/c8-7-13-5-3(11)1(9)2(10)4(12)6(5)14-7/h(H,13,14)
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90 -41.8n/an/an/an/an/a7.537



University of Padova



Assay Description
Inhibitory effect of test compound was assessed in reaction buffer containing purified CK2, synthetic peptide substrate, and [gamma-33P]ATP. Assays w...


Bioorg Med Chem 17: 7281-9 (2009)


Article DOI: 10.1016/j.bmc.2009.08.047
BindingDB Entry DOI: 10.7270/Q2NZ860P
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Rattus norvegicus (Rat))
BDBM34040
PNG
(iodinated benzimidazole, 3a)
Show SMILES Brc1c(I)c(I)c2[nH]cnc2c1I
Show InChI InChI=1S/C7H2BrI3N2/c8-2-3(9)5(11)7-6(4(2)10)12-1-13-7/h1H,(H,12,13)
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100 -41.6n/an/an/an/an/a7.537



University of Padova



Assay Description
Inhibitory effect of test compound was assessed in reaction buffer containing purified CK2, synthetic peptide substrate, and [gamma-33P]ATP. Assays w...


Bioorg Med Chem 17: 7281-9 (2009)


Article DOI: 10.1016/j.bmc.2009.08.047
BindingDB Entry DOI: 10.7270/Q2NZ860P
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Rattus norvegicus (Rat))
BDBM34047
PNG
(iodinated benzimidazole, 10a)
Show SMILES FC(F)(F)c1nc2c(I)c(I)c(I)c(I)c2[nH]1
Show InChI InChI=1S/C8HF3I4N2/c9-8(10,11)7-16-5-3(14)1(12)2(13)4(15)6(5)17-7/h(H,16,17)
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120 -41.1n/an/an/an/an/a7.537



University of Padova



Assay Description
Inhibitory effect of test compound was assessed in reaction buffer containing purified CK2, synthetic peptide substrate, and [gamma-33P]ATP. Assays w...


Bioorg Med Chem 17: 7281-9 (2009)


Article DOI: 10.1016/j.bmc.2009.08.047
BindingDB Entry DOI: 10.7270/Q2NZ860P
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Rattus norvegicus (Rat))
BDBM34049
PNG
(iodinated benzimidazole, 12a)
Show SMILES Clc1nc2c(I)c(I)c(I)c(I)c2[nH]1
Show InChI InChI=1S/C7HClI4N2/c8-7-13-5-3(11)1(9)2(10)4(12)6(5)14-7/h(H,13,14)
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120 -41.1n/an/an/an/an/a7.537



University of Padova



Assay Description
Inhibitory effect of test compound was assessed in reaction buffer containing purified CK2, synthetic peptide substrate, and [gamma-33P]ATP. Assays w...


Bioorg Med Chem 17: 7281-9 (2009)


Article DOI: 10.1016/j.bmc.2009.08.047
BindingDB Entry DOI: 10.7270/Q2NZ860P
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Rattus norvegicus (Rat))
BDBM34056
PNG
(iodinated benzimidazole, 23)
Show SMILES NC(=O)Cn1cnc2c(I)c(I)c(I)c(I)c12
Show InChI InChI=1S/C9H5I4N3O/c10-4-5(11)7(13)9-8(6(4)12)15-2-16(9)1-3(14)17/h2H,1H2,(H2,14,17)
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130 -40.9n/an/an/an/an/a7.537



University of Padova



Assay Description
Inhibitory effect of test compound was assessed in reaction buffer containing purified CK2, synthetic peptide substrate, and [gamma-33P]ATP. Assays w...


Bioorg Med Chem 17: 7281-9 (2009)


Article DOI: 10.1016/j.bmc.2009.08.047
BindingDB Entry DOI: 10.7270/Q2NZ860P
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Rattus norvegicus (Rat))
BDBM34055
PNG
(iodinated benzimidazole, 21)
Show SMILES OC(=O)Cn1cnc2c(I)c(I)c(I)c(I)c12
Show InChI InChI=1S/C9H4I4N2O2/c10-4-5(11)7(13)9-8(6(4)12)14-2-15(9)1-3(16)17/h2H,1H2,(H,16,17)
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140 -40.7n/an/an/an/an/a7.537



University of Padova



Assay Description
Inhibitory effect of test compound was assessed in reaction buffer containing purified CK2, synthetic peptide substrate, and [gamma-33P]ATP. Assays w...


Bioorg Med Chem 17: 7281-9 (2009)


Article DOI: 10.1016/j.bmc.2009.08.047
BindingDB Entry DOI: 10.7270/Q2NZ860P
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Rattus norvegicus (Rat))
BDBM34039
PNG
(iodinated benzimidazole, 2a)
Show SMILES Clc1c(I)c(I)c2nc[nH]c2c1I
Show InChI InChI=1S/C7H2ClI3N2/c8-2-3(9)5(11)7-6(4(2)10)12-1-13-7/h1H,(H,12,13)
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160 -40.3n/an/an/an/an/a7.537



University of Padova



Assay Description
Inhibitory effect of test compound was assessed in reaction buffer containing purified CK2, synthetic peptide substrate, and [gamma-33P]ATP. Assays w...


Bioorg Med Chem 17: 7281-9 (2009)


Article DOI: 10.1016/j.bmc.2009.08.047
BindingDB Entry DOI: 10.7270/Q2NZ860P
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Rattus norvegicus (Rat))
BDBM34058
PNG
(iodinated benzimidazole, 27)
Show SMILES NNC(=O)Cn1cnc2c(I)c(I)c(I)c(I)c12
Show InChI InChI=1S/C9H6I4N4O/c10-4-5(11)7(13)9-8(6(4)12)15-2-17(9)1-3(18)16-14/h2H,1,14H2,(H,16,18)
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160 -40.3n/an/an/an/an/a7.537



University of Padova



Assay Description
Inhibitory effect of test compound was assessed in reaction buffer containing purified CK2, synthetic peptide substrate, and [gamma-33P]ATP. Assays w...


Bioorg Med Chem 17: 7281-9 (2009)


Article DOI: 10.1016/j.bmc.2009.08.047
BindingDB Entry DOI: 10.7270/Q2NZ860P
More data for this
Ligand-Target Pair
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


(Rattus norvegicus (Rat))
BDBM34057
PNG
(iodinated benzimidazole, 25)
Show SMILES CNC(=O)Cn1cnc2c(I)c(I)c(I)c(I)c12
Show InChI InChI=1S/C10H7I4N3O/c1-15-4(18)2-17-3-16-9-7(13)5(11)6(12)8(14)10(9)17/h3H,2H2,1H3,(H,15,18)
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180 -40.0n/an/an/an/an/a7.537



University of Padova



Assay Description
Inhibitory effect of test compound was assessed in reaction buffer containing purified CK2, synthetic peptide substrate, and [gamma-33P]ATP. Assays w...


Bioorg Med Chem 17: 7281-9 (2009)


Article DOI: 10.1016/j.bmc.2009.08.047
BindingDB Entry DOI: 10.7270/Q2NZ860P
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Rattus norvegicus (Rat))
BDBM34045
PNG
(iodinated benzimidazole, 8a)
Show SMILES Cc1nc2c(I)c(Cl)c(Cl)c(I)c2[nH]1
Show InChI InChI=1S/C8H4Cl2I2N2/c1-2-13-7-5(11)3(9)4(10)6(12)8(7)14-2/h1H3,(H,13,14)
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330 -38.5n/an/an/an/an/a7.537



University of Padova



Assay Description
Inhibitory effect of test compound was assessed in reaction buffer containing purified CK2, synthetic peptide substrate, and [gamma-33P]ATP. Assays w...


Bioorg Med Chem 17: 7281-9 (2009)


Article DOI: 10.1016/j.bmc.2009.08.047
BindingDB Entry DOI: 10.7270/Q2NZ860P
More data for this
Ligand-Target Pair
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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PubMed
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


(Rattus norvegicus (Rat))
BDBM34041
PNG
(iodinated benzimidazole, 4a)
Show SMILES Clc1c(Cl)c(I)c2[nH]cnc2c1I
Show InChI InChI=1S/C7H2Cl2I2N2/c8-2-3(9)5(11)7-6(4(2)10)12-1-13-7/h1H,(H,12,13)
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460 -37.6n/an/an/an/an/a7.537



University of Padova



Assay Description
Inhibitory effect of test compound was assessed in reaction buffer containing purified CK2, synthetic peptide substrate, and [gamma-33P]ATP. Assays w...


Bioorg Med Chem 17: 7281-9 (2009)


Article DOI: 10.1016/j.bmc.2009.08.047
BindingDB Entry DOI: 10.7270/Q2NZ860P
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Rattus norvegicus (Rat))
BDBM34042
PNG
(iodinated benzimidazole, 5a)
Show SMILES Clc1c(I)c(Cl)c2nc[nH]c2c1I
Show InChI InChI=1S/C7H2Cl2I2N2/c8-2-4(10)3(9)6-7(5(2)11)13-1-12-6/h1H,(H,12,13)
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590 -37.0n/an/an/an/an/a7.537



University of Padova



Assay Description
Inhibitory effect of test compound was assessed in reaction buffer containing purified CK2, synthetic peptide substrate, and [gamma-33P]ATP. Assays w...


Bioorg Med Chem 17: 7281-9 (2009)


Article DOI: 10.1016/j.bmc.2009.08.047
BindingDB Entry DOI: 10.7270/Q2NZ860P
More data for this
Ligand-Target Pair
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


(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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PubMed
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


(Rattus norvegicus (Rat))
BDBM34059
PNG
(brominated benzimidazole, 20)
Show SMILES OC(=O)Cn1cnc2c(Br)c(Br)c(Br)c(Br)c12
Show InChI InChI=1S/C9H4Br4N2O2/c10-4-5(11)7(13)9-8(6(4)12)14-2-15(9)1-3(16)17/h2H,1H2,(H,16,17)
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1.34E+3 -34.9n/an/an/an/an/a7.537



University of Padova



Assay Description
Inhibitory effect of test compound was assessed in reaction buffer containing purified CK2, synthetic peptide substrate, and [gamma-33P]ATP. Assays w...


Bioorg Med Chem 17: 7281-9 (2009)


Article DOI: 10.1016/j.bmc.2009.08.047
BindingDB Entry DOI: 10.7270/Q2NZ860P
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Rattus norvegicus (Rat))
BDBM34060
PNG
(brominated benzimidazole, 22)
Show SMILES NC(=O)Cn1cnc2c(Br)c(Br)c(Br)c(Br)c12
Show InChI InChI=1S/C9H5Br4N3O/c10-4-5(11)7(13)9-8(6(4)12)15-2-16(9)1-3(14)17/h2H,1H2,(H2,14,17)
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1.45E+3 -34.7n/an/an/an/an/a7.537



University of Padova



Assay Description
Inhibitory effect of test compound was assessed in reaction buffer containing purified CK2, synthetic peptide substrate, and [gamma-33P]ATP. Assays w...


Bioorg Med Chem 17: 7281-9 (2009)


Article DOI: 10.1016/j.bmc.2009.08.047
BindingDB Entry DOI: 10.7270/Q2NZ860P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase II subunit alpha


(Rattus norvegicus (Rat))
BDBM34062
PNG
(brominated benzimidazole, 26)
Show SMILES NNC(=O)Cn1cnc2c(Br)c(Br)c(Br)c(Br)c12
Show InChI InChI=1S/C9H6Br4N4O/c10-4-5(11)7(13)9-8(6(4)12)15-2-17(9)1-3(18)16-14/h2H,1,14H2,(H,16,18)
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1.51E+3 -34.6n/an/an/an/an/a7.537



University of Padova



Assay Description
Inhibitory effect of test compound was assessed in reaction buffer containing purified CK2, synthetic peptide substrate, and [gamma-33P]ATP. Assays w...


Bioorg Med Chem 17: 7281-9 (2009)


Article DOI: 10.1016/j.bmc.2009.08.047
BindingDB Entry DOI: 10.7270/Q2NZ860P
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


(Rattus norvegicus (Rat))
BDBM34061
PNG
(brominated benzimidazole, 24)
Show SMILES CNC(=O)Cn1cnc2c(Br)c(Br)c(Br)c(Br)c12
Show InChI InChI=1S/C10H7Br4N3O/c1-15-4(18)2-17-3-16-9-7(13)5(11)6(12)8(14)10(9)17/h3H,2H2,1H3,(H,15,18)
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1.91E+3 -34.0n/an/an/an/an/a7.537



University of Padova



Assay Description
Inhibitory effect of test compound was assessed in reaction buffer containing purified CK2, synthetic peptide substrate, and [gamma-33P]ATP. Assays w...


Bioorg Med Chem 17: 7281-9 (2009)


Article DOI: 10.1016/j.bmc.2009.08.047
BindingDB Entry DOI: 10.7270/Q2NZ860P
More data for this
Ligand-Target Pair
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


(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
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50156670
PNG
(2-(dimethylamino)-4,5,6,7-tetrabromo-1H-benzimidaz...)
Show SMILES CN(C)c1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1
Show InChI InChI=1S/C9H7Br4N3/c1-16(2)9-14-7-5(12)3(10)4(11)6(13)8(7)15-9/h1-2H3,(H,14,15)
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n/an/a 120n/an/an/an/an/an/a



Università di Padova

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A


J Med Chem 47: 6239-47 (2004)


Article DOI: 10.1021/jm049854a
BindingDB Entry DOI: 10.7270/Q2930SNG
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
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50094895
PNG
(1,4-diamino-9,10-anthraquinone | 1,4-diamino-anthr...)
Show SMILES Nc1ccc(N)c2C(=O)c3ccccc3C(=O)c12
Show InChI InChI=1S/C14H10N2O2/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6H,15-16H2
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n/an/a 330n/an/an/an/an/an/a



Università di Padova

Curated by ChEMBL


Assay Description
Inhibition of CK1delta


Bioorg Med Chem Lett 18: 5672-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.072
BindingDB Entry DOI: 10.7270/Q2HD7VGP
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50094893
PNG
(1-Amino-4-hydroxy-anthraquinone | 1-hydroxy-4-amin...)
Show SMILES Nc1ccc(O)c2C(=O)c3ccccc3C(=O)c12
Show InChI InChI=1S/C14H9NO3/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6,16H,15H2
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n/an/a 660n/an/an/an/an/an/a



Università di Padova

Curated by ChEMBL


Assay Description
Inhibition of CK1delta


Bioorg Med Chem Lett 18: 5672-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.072
BindingDB Entry DOI: 10.7270/Q2HD7VGP
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM50008516
PNG
(IC261)
Show SMILES COc1cc(OC)c(C=C2C(O)=Nc3ccccc23)c(OC)c1 |c:11|
Show InChI InChI=1S/C18H17NO4/c1-21-11-8-16(22-2)14(17(9-11)23-3)10-13-12-6-4-5-7-15(12)19-18(13)20/h4-10H,1-3H3,(H,19,20)
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n/an/a 1.24E+3n/an/an/an/an/an/a



Università di Padova

Curated by ChEMBL


Assay Description
Inhibition of CK1alpha


Bioorg Med Chem Lett 18: 5672-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.072
BindingDB Entry DOI: 10.7270/Q2HD7VGP
More data for this
Ligand-Target Pair
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50156670
PNG
(2-(dimethylamino)-4,5,6,7-tetrabromo-1H-benzimidaz...)
Show SMILES CN(C)c1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1
Show InChI InChI=1S/C9H7Br4N3/c1-16(2)9-14-7-5(12)3(10)4(11)6(13)8(7)15-9/h1-2H3,(H,14,15)
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n/an/a 2.38E+3n/an/an/an/an/an/a



Università di Padova

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A


J Med Chem 47: 6239-47 (2004)


Article DOI: 10.1021/jm049854a
BindingDB Entry DOI: 10.7270/Q2930SNG
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
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