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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Casein kinase II subunit alpha' and Ligand = 'BDBM50530336'   
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))
BDBM50530336
PNG
(CHEMBL4462082)
Show SMILES OC(=O)c1ccc(Nc2nc(cs2)-c2cccc(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C16H11N3O4S/c20-15(21)10-4-6-12(7-5-10)17-16-18-14(9-24-16)11-2-1-3-13(8-11)19(22)23/h1-9H,(H,17,18)(H,20,21)
PDB

UniProtKB/SwissProt

antibodypedia
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UniChem
Article
PubMed
1.60E+3n/an/an/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Mixed-type inhibition of recombinant human GST-tagged CK2alpha in presence of ATP by Lineweaver-Burk plot analysis


J Med Chem 62: 1803-1816 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01766
BindingDB Entry DOI: 10.7270/Q2NS0ZCZ
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50530336
PNG
(CHEMBL4462082)
Show SMILES OC(=O)c1ccc(Nc2nc(cs2)-c2cccc(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C16H11N3O4S/c20-15(21)10-4-6-12(7-5-10)17-16-18-14(9-24-16)11-2-1-3-13(8-11)19(22)23/h1-9H,(H,17,18)(H,20,21)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
1.60E+3n/an/an/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Mixed-type inhibition of recombinant human GST-tagged CK2alpha in presence of ATP by Lineweaver-Burk plot analysis


J Med Chem 62: 1803-1816 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01766
BindingDB Entry DOI: 10.7270/Q2NS0ZCZ
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50530336
PNG
(CHEMBL4462082)
Show SMILES OC(=O)c1ccc(Nc2nc(cs2)-c2cccc(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C16H11N3O4S/c20-15(21)10-4-6-12(7-5-10)17-16-18-14(9-24-16)11-2-1-3-13(8-11)19(22)23/h1-9H,(H,17,18)(H,20,21)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.00E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged CK2alpha in presence of ATP by radiometric kinase assay


J Med Chem 62: 1803-1816 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01766
BindingDB Entry DOI: 10.7270/Q2NS0ZCZ
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50530336
PNG
(CHEMBL4462082)
Show SMILES OC(=O)c1ccc(Nc2nc(cs2)-c2cccc(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C16H11N3O4S/c20-15(21)10-4-6-12(7-5-10)17-16-18-14(9-24-16)11-2-1-3-13(8-11)19(22)23/h1-9H,(H,17,18)(H,20,21)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.00E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged CK2alpha in presence of ATP by radiometric kinase assay


J Med Chem 62: 1803-1816 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01766
BindingDB Entry DOI: 10.7270/Q2NS0ZCZ
More data for this
Ligand-Target Pair