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PubMed code 19168362

Compile data set for download or QSAR
Found 11 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))
BDBM50276678
PNG
(3-(4,5,6,7-Tetrabromo-1H-1,2,3-benzotriazol-1-yl)p...)
Show SMILES OCCCn1nnc2c(Br)c(Br)c(Br)c(Br)c12
Show InChI InChI=1S/C9H7Br4N3O/c10-4-5(11)7(13)9-8(6(4)12)14-15-16(9)2-1-3-17/h17H,1-3H2
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n/an/a 320n/an/an/an/an/an/a



Institute of Biochemistry and Biophysics

Curated by ChEMBL


Assay Description
Inhibition of human recombinant casein kinase 2 subunit alpha expressed in Escherichia coli BL21 (DE3) assessed as [32P] incorporation by liquid scin...


Bioorg Med Chem 17: 1573-8 (2009)


Article DOI: 10.1016/j.bmc.2008.12.071
BindingDB Entry DOI: 10.7270/Q23J3CVZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50276679
PNG
(3-(4,5,6,7-Tetrabromo-2H-1,2,3-benzotriazol-2-yl)p...)
Show SMILES OCCCn1nc2c(Br)c(Br)c(Br)c(Br)c2n1
Show InChI InChI=1S/C9H7Br4N3O/c10-4-5(11)7(13)9-8(6(4)12)14-16(15-9)2-1-3-17/h17H,1-3H2
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n/an/a 340n/an/an/an/an/an/a



Institute of Biochemistry and Biophysics

Curated by ChEMBL


Assay Description
Inhibition of human recombinant casein kinase 2 subunit alpha expressed in Escherichia coli BL21 (DE3) assessed as [32P] incorporation by liquid scin...


Bioorg Med Chem 17: 1573-8 (2009)


Article DOI: 10.1016/j.bmc.2008.12.071
BindingDB Entry DOI: 10.7270/Q23J3CVZ
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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n/an/a 500n/an/an/an/an/an/a



Institute of Biochemistry and Biophysics

Curated by ChEMBL


Assay Description
Inhibition of human recombinant casein kinase 2 subunit alpha expressed in Escherichia coli BL21 (DE3) assessed as [32P] incorporation by liquid scin...


Bioorg Med Chem 17: 1573-8 (2009)


Article DOI: 10.1016/j.bmc.2008.12.071
BindingDB Entry DOI: 10.7270/Q23J3CVZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50276732
PNG
(3-(4,5,6,7-Tetrabromo-1H-benzimidazol-1-yl)propan-...)
Show SMILES OCCCn1cnc2c(Br)c(Br)c(Br)c(Br)c12
Show InChI InChI=1S/C10H8Br4N2O/c11-5-6(12)8(14)10-9(7(5)13)15-4-16(10)2-1-3-17/h4,17H,1-3H2
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n/an/a 540n/an/an/an/an/an/a



Institute of Biochemistry and Biophysics

Curated by ChEMBL


Assay Description
Inhibition of human recombinant casein kinase 2 subunit alpha expressed in Escherichia coli BL21 (DE3) assessed as [32P] incorporation by liquid scin...


Bioorg Med Chem 17: 1573-8 (2009)


Article DOI: 10.1016/j.bmc.2008.12.071
BindingDB Entry DOI: 10.7270/Q23J3CVZ
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50156669
PNG
(4,5,6,7-TETRABROMO-BENZIMIDAZOLE | 4,5,6,7-tetrabr...)
Show SMILES Brc1c(Br)c(Br)c2[nH]cnc2c1Br
Show InChI InChI=1S/C7H2Br4N2/c8-2-3(9)5(11)7-6(4(2)10)12-1-13-7/h1H,(H,12,13)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Institute of Biochemistry and Biophysics

Curated by ChEMBL


Assay Description
Inhibition of human recombinant casein kinase 2 subunit alpha expressed in Escherichia coli BL21 (DE3) assessed as [32P] incorporation by liquid scin...


Bioorg Med Chem 17: 1573-8 (2009)


Article DOI: 10.1016/j.bmc.2008.12.071
BindingDB Entry DOI: 10.7270/Q23J3CVZ
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50276731
PNG
(4-(4,5,6,7-tetrabromo-2H-1,2,3-benzotriazol-2-yl)b...)
Show SMILES OCCCCn1nc2c(Br)c(Br)c(Br)c(Br)c2n1
Show InChI InChI=1S/C10H9Br4N3O/c11-5-6(12)8(14)10-9(7(5)13)15-17(16-10)3-1-2-4-18/h18H,1-4H2
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n/an/a 1.73E+3n/an/an/an/an/an/a



Institute of Biochemistry and Biophysics

Curated by ChEMBL


Assay Description
Inhibition of human recombinant casein kinase 2 subunit alpha expressed in Escherichia coli BL21 (DE3) assessed as [32P] incorporation by liquid scin...


Bioorg Med Chem 17: 1573-8 (2009)


Article DOI: 10.1016/j.bmc.2008.12.071
BindingDB Entry DOI: 10.7270/Q23J3CVZ
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50276680
PNG
(3-(4,5,6,7-Tetrabromo-2H-1,2,3-benzotriazol-2-yl)p...)
Show SMILES OP(O)(=O)OCCCn1nc2c(Br)c(Br)c(Br)c(Br)c2n1
Show InChI InChI=1S/C9H8Br4N3O4P/c10-4-5(11)7(13)9-8(6(4)12)14-16(15-9)2-1-3-20-21(17,18)19/h1-3H2,(H2,17,18,19)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Institute of Biochemistry and Biophysics

Curated by ChEMBL


Assay Description
Inhibition of human recombinant casein kinase 2 subunit alpha expressed in Escherichia coli BL21 (DE3) assessed as [32P] incorporation by liquid scin...


Bioorg Med Chem 17: 1573-8 (2009)


Article DOI: 10.1016/j.bmc.2008.12.071
BindingDB Entry DOI: 10.7270/Q23J3CVZ
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50276733
PNG
(1-(3-chloropropyl)-4,5,6,7-tetrabromo-1H-benzimida...)
Show SMILES ClCCCn1cnc2c(Br)c(Br)c(Br)c(Br)c12
Show InChI InChI=1S/C10H7Br4ClN2/c11-5-6(12)8(14)10-9(7(5)13)16-4-17(10)3-1-2-15/h4H,1-3H2
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n/an/a 2.90E+3n/an/an/an/an/an/a



Institute of Biochemistry and Biophysics

Curated by ChEMBL


Assay Description
Inhibition of human recombinant casein kinase 2 subunit alpha expressed in Escherichia coli BL21 (DE3) assessed as [32P] incorporation by liquid scin...


Bioorg Med Chem 17: 1573-8 (2009)


Article DOI: 10.1016/j.bmc.2008.12.071
BindingDB Entry DOI: 10.7270/Q23J3CVZ
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50276730
PNG
(4,5,6,7-Tetrabromo-2-[3-(4-methylpiperazin-1-yl)pr...)
Show SMILES CN1CCN(CCCn2nc3c(Br)c(Br)c(Br)c(Br)c3n2)CC1
Show InChI InChI=1S/C14H17Br4N5/c1-21-5-7-22(8-6-21)3-2-4-23-19-13-11(17)9(15)10(16)12(18)14(13)20-23/h2-8H2,1H3
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n/an/a 7.30E+3n/an/an/an/an/an/a



Institute of Biochemistry and Biophysics

Curated by ChEMBL


Assay Description
Inhibition of human recombinant casein kinase 2 subunit alpha expressed in Escherichia coli BL21 (DE3) assessed as [32P] incorporation by liquid scin...


Bioorg Med Chem 17: 1573-8 (2009)


Article DOI: 10.1016/j.bmc.2008.12.071
BindingDB Entry DOI: 10.7270/Q23J3CVZ
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50276630
PNG
(2-(perbromo-1H-benzo[d][1,2,3]triazol-1-yl)ethanol...)
Show SMILES OCCn1nnc2c(Br)c(Br)c(Br)c(Br)c12
Show InChI InChI=1S/C8H5Br4N3O/c9-3-4(10)6(12)8-7(5(3)11)13-14-15(8)1-2-16/h16H,1-2H2
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n/an/a 9.25E+3n/an/an/an/an/an/a



Institute of Biochemistry and Biophysics

Curated by ChEMBL


Assay Description
Inhibition of human recombinant casein kinase 2 subunit alpha expressed in Escherichia coli BL21 (DE3) assessed as [32P] incorporation by liquid scin...


Bioorg Med Chem 17: 1573-8 (2009)


Article DOI: 10.1016/j.bmc.2008.12.071
BindingDB Entry DOI: 10.7270/Q23J3CVZ
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50276682
PNG
(4,5,6,7-Tetrabromo-1-[3-(4-methylpiperazin-1-yl)pr...)
Show SMILES CN1CCN(CCCn2nnc3c(Br)c(Br)c(Br)c(Br)c23)CC1
Show InChI InChI=1S/C14H17Br4N5/c1-21-5-7-22(8-6-21)3-2-4-23-14-12(18)10(16)9(15)11(17)13(14)19-20-23/h2-8H2,1H3
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n/an/a 1.12E+4n/an/an/an/an/an/a



Institute of Biochemistry and Biophysics

Curated by ChEMBL


Assay Description
Inhibition of human recombinant casein kinase 2 subunit alpha expressed in Escherichia coli BL21 (DE3) assessed as [32P] incorporation by liquid scin...


Bioorg Med Chem 17: 1573-8 (2009)


Article DOI: 10.1016/j.bmc.2008.12.071
BindingDB Entry DOI: 10.7270/Q23J3CVZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%