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PDB code 3AT3

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 2 hits Enzyme Inhibition Constant Data   
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

  (335/335 = 100%)
(Homo sapiens (Human))
BDBM50420562
PNG
(CHEMBL2048144)
Show SMILES OC(=O)Cc1ccn(c1)-c1cncc(n1)-n1ncc2ccc(NC3CCCC3)cc12
Show InChI InChI=1S/C22H22N6O2/c29-22(30)9-15-7-8-27(14-15)20-12-23-13-21(26-20)28-19-10-18(6-5-16(19)11-24-28)25-17-3-1-2-4-17/h5-8,10-14,17,25H,1-4,9H2,(H,29,30)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 110n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Competitive inhibition of GST fused human CK2alpha expressed in Escherichia coli BL21 after 10 mins in presence of ATP


J Med Chem 55: 2899-903 (2012)


Article DOI: 10.1021/jm2015167
BindingDB Entry DOI: 10.7270/Q2445NRV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase II subunit alpha'

  (285/334 = 85%)
(Homo sapiens (Human))
BDBM50420562
PNG
(CHEMBL2048144)
Show SMILES OC(=O)Cc1ccn(c1)-c1cncc(n1)-n1ncc2ccc(NC3CCCC3)cc12
Show InChI InChI=1S/C22H22N6O2/c29-22(30)9-15-7-8-27(14-15)20-12-23-13-21(26-20)28-19-10-18(6-5-16(19)11-24-28)25-17-3-1-2-4-17/h5-8,10-14,17,25H,1-4,9H2,(H,29,30)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 190n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Competitive inhibition of GST fused human CK2alpha' expressed in Escherichia coli BL21 after 10 mins in presence of ATP


J Med Chem 55: 2899-903 (2012)


Article DOI: 10.1021/jm2015167
BindingDB Entry DOI: 10.7270/Q2445NRV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output