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BDBM50359844 CHEMBL1928907

SMILES: Cn1c(SCCCC(O)=O)nc2c(Br)c(Br)c(Br)c(Br)c12

InChI Key: InChIKey=WRTWYONUUYDQCF-UHFFFAOYSA-N

Data: 4 KI

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 4 hits for monomerid = 50359844   
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 subunit alpha


(Homo sapiens (Human))
BDBM50359844
PNG
(CHEMBL1928907)
Show SMILES Cn1c(SCCCC(O)=O)nc2c(Br)c(Br)c(Br)c(Br)c12
Show InChI InChI=1S/C12H10Br4N2O2S/c1-18-11-9(16)7(14)6(13)8(15)10(11)17-12(18)21-4-2-3-5(19)20/h2-4H2,1H3,(H,19,20)
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
83n/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))
BDBM50359844
PNG
(CHEMBL1928907)
Show SMILES Cn1c(SCCCC(O)=O)nc2c(Br)c(Br)c(Br)c(Br)c12
Show InChI InChI=1S/C12H10Br4N2O2S/c1-18-11-9(16)7(14)6(13)8(15)10(11)17-12(18)21-4-2-3-5(19)20/h2-4H2,1H3,(H,19,20)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
88n/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))
BDBM50359844
PNG
(CHEMBL1928907)
Show SMILES Cn1c(SCCCC(O)=O)nc2c(Br)c(Br)c(Br)c(Br)c12
Show InChI InChI=1S/C12H10Br4N2O2S/c1-18-11-9(16)7(14)6(13)8(15)10(11)17-12(18)21-4-2-3-5(19)20/h2-4H2,1H3,(H,19,20)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
501n/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))
BDBM50359844
PNG
(CHEMBL1928907)
Show SMILES Cn1c(SCCCC(O)=O)nc2c(Br)c(Br)c(Br)c(Br)c12
Show InChI InChI=1S/C12H10Br4N2O2S/c1-18-11-9(16)7(14)6(13)8(15)10(11)17-12(18)21-4-2-3-5(19)20/h2-4H2,1H3,(H,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
768n/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