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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with all data for entry = 50047263   
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))
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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PubMed
45n/an/an/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of human wild type CK2alpha


J Med Chem 59: 1655-70 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00997
BindingDB Entry DOI: 10.7270/Q24T6M70
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50156368
PNG
(CHEMBL608394)
Show SMILES Brc1c(Br)c(Br)c2[nH]c(=S)[nH]c2c1Br
Show InChI InChI=1S/C7H2Br4N2S/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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70n/an/an/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of human wild type CK2alpha


J Med Chem 59: 1655-70 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00997
BindingDB Entry DOI: 10.7270/Q24T6M70
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50156367
PNG
(CHEMBL3793598)
Show SMILES CS(=O)(=O)c1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1
Show InChI InChI=1S/C8H4Br4N2O2S/c1-17(15,16)8-13-6-4(11)2(9)3(10)5(12)7(6)14-8/h1H3,(H,13,14)
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150n/an/an/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Competitive inhibition of human wild type CK2alpha by Dixon plot analysis


J Med Chem 59: 1655-70 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00997
BindingDB Entry DOI: 10.7270/Q24T6M70
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
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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200n/an/an/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Competitive inhibition of human wild type CK2alpha by Dixon plot analysis


J Med Chem 59: 1655-70 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00997
BindingDB Entry DOI: 10.7270/Q24T6M70
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
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)
PDB

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300n/an/an/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Competitive inhibition of human wild type CK2alpha by Dixon plot analysis


J Med Chem 59: 1655-70 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00997
BindingDB Entry DOI: 10.7270/Q24T6M70
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50156369
PNG
(CHEMBL227370)
Show SMILES FC(F)(F)c1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1
Show InChI InChI=1S/C8HBr4F3N2/c9-1-2(10)4(12)6-5(3(1)11)16-7(17-6)8(13,14)15/h(H,16,17)
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400n/an/an/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of CK2alpha (unknown origin)


J Med Chem 59: 1655-70 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00997
BindingDB Entry DOI: 10.7270/Q24T6M70
More data for this
Ligand-Target Pair