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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 = 'BDBM11313'   
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


(Zea mays (Maize))
BDBM11313
PNG
(1,8-dihydroxy-4-nitro-anthraquinone | 4,5-dihydrox...)
Show SMILES Oc1cccc2C(=O)c3c(ccc(O)c3C(=O)c12)[N+]([O-])=O
Show InChI InChI=1S/C14H7NO6/c16-8-3-1-2-6-10(8)14(19)12-9(17)5-4-7(15(20)21)11(12)13(6)18/h1-5,16-17H
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PC sid
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DrugBank
MMDB
PDB
Article
PubMed
780 -34.5n/an/an/an/an/a7.522



University of Padova



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP/ [gam...


J Biol Chem 278: 1831-6 (2003)


Article DOI: 10.1074/jbc.M209367200
BindingDB Entry DOI: 10.7270/Q2GH9G5K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM11313
PNG
(1,8-dihydroxy-4-nitro-anthraquinone | 4,5-dihydrox...)
Show SMILES Oc1cccc2C(=O)c3c(ccc(O)c3C(=O)c12)[N+]([O-])=O
Show InChI InChI=1S/C14H7NO6/c16-8-3-1-2-6-10(8)14(19)12-9(17)5-4-7(15(20)21)11(12)13(6)18/h1-5,16-17H
PDB

UniProtKB/SwissProt

antibodypedia
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AffyNet 
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
800n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of CK2alpha (unknown origin)


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111581
BindingDB Entry DOI: 10.7270/Q29K4FJB
More data for this
Ligand-Target Pair