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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Casein kinase II subunit alpha' and Ligand = 'BDBM50530337'   
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))
BDBM50530337
PNG
(CHEMBL4557432)
Show SMILES OC(=O)c1cccc(Nc2nc(cs2)-c2cccc(c2)[N+]([O-])=O)c1
Show InChI InChI=1S/C16H11N3O4S/c20-15(21)11-4-1-5-12(7-11)17-16-18-14(9-24-16)10-3-2-6-13(8-10)19(22)23/h1-9H,(H,17,18)(H,20,21)
PDB

UniProtKB/SwissProt

antibodypedia
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.77E+4n/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))
BDBM50530337
PNG
(CHEMBL4557432)
Show SMILES OC(=O)c1cccc(Nc2nc(cs2)-c2cccc(c2)[N+]([O-])=O)c1
Show InChI InChI=1S/C16H11N3O4S/c20-15(21)11-4-1-5-12(7-11)17-16-18-14(9-24-16)10-3-2-6-13(8-10)19(22)23/h1-9H,(H,17,18)(H,20,21)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.77E+4n/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