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BDBM50156669 4,5,6,7-TETRABROMO-BENZIMIDAZOLE::4,5,6,7-tetrabromo-1H-benzimidazole::4,5,6,7-tetrabromo-1H-benzo[d]imidazole::4,5,6,7-tetrabromo-1Hbenzimidazole (1)::4,5,6,7-tetrabromobenzimidazole::CHEMBL373937

SMILES: Brc1c(Br)c(Br)c2[nH]cnc2c1Br

InChI Key: InChIKey=LOEIRDBRYBHAJB-UHFFFAOYSA-N

Data: 7 KI  2 IC50  1 Kd

PDB links: 2 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50156669   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Casein kinase II 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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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)

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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270n/an/an/an/an/an/an/an/a



The John Paul II Catholic University of Lublin

Curated by ChEMBL


Assay Description
Inhibition of human CK2 alpha' catalytic subunit expressed in Escherichia coli BL21 (DE3) assessed as [33P]gamma-ATP incorporation into P2B substrate...


Eur J Med Chem 47: 345-50 (2012)


Article DOI: 10.1016/j.ejmech.2011.11.002
More data for this
Ligand-Target Pair
Casein kinase II 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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315n/an/an/an/an/an/an/an/a



The John Paul II Catholic University of Lublin

Curated by ChEMBL


Assay Description
Inhibition of human CK2 alpha catalytic subunit expressed in Escherichia coli BL21 (DE3) assessed as [33P]gamma-ATP incorporation into RRRADDSDDDDD s...


Eur J Med Chem 47: 345-50 (2012)


Article DOI: 10.1016/j.ejmech.2011.11.002
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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343n/an/an/an/an/an/an/an/a



The John Paul II Catholic University of Lublin

Curated by ChEMBL


Assay Description
Inhibition of human CK2 alpha' catalytic subunit expressed in Escherichia coli BE21 (DE3) assessed as [33P]gamma-ATP incorporation into RRRADDSDDDDD ...


Eur J Med Chem 47: 345-50 (2012)


Article DOI: 10.1016/j.ejmech.2011.11.002
More data for this
Ligand-Target Pair
Casein kinase II 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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462n/an/an/an/an/an/an/an/a



The John Paul II Catholic University of Lublin

Curated by ChEMBL


Assay Description
Inhibition of human CK2 alpha catalytic subunit expressed in Escherichia coli BE21 (DE3) assessed as [33P]gamma-ATP incorporation into P2B substrate ...


Eur J Med Chem 47: 345-50 (2012)


Article DOI: 10.1016/j.ejmech.2011.11.002
More data for this
Ligand-Target Pair
Casein kinase II 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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680n/an/an/an/an/an/an/an/a



Warsaw University of Technology



Assay Description
The activity of CK2α was tested using P81 filter isotopic assay, as it was described earlier [Łukowska-Chojnacka et al., Bioorg. Med. Chem....


Bioorg Chem 72: 1-10 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.017
More data for this
Ligand-Target Pair
Casein kinase II 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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1.03E+3n/an/an/an/an/an/an/an/a



Warsaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CK2alpha using RRRDDDSDDD substrate peptide by scintillation counter in presence of [32P]ATP


Bioorg Med Chem 24: 735-41 (2016)

More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(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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Article
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n/an/a 79.4n/an/an/an/an/an/a



University of Western Ontario



Assay Description
To determine the IC50 value of each inhibitor, reactions were initiated by addition of 154 pM NQO2 to a reaction buffer containing 150 μM SCDP a...


Biochemistry 54: 47-59 (2015)


Article DOI: 10.1021/bi500959t
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ribosyldihydronicotinamide dehydrogenase [quinone]


(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/an/a 18.1n/an/an/an/an/a



University of Western Ontario



Assay Description
To assess direct binding of inhibitors to oxidized NQO2 (NQO2ox), fluorescence quenching of FAD was monitored with an excitation wavelength of 350 nm...


Biochemistry 54: 47-59 (2015)


Article DOI: 10.1021/bi500959t
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase II 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
More data for this
Ligand-Target Pair