Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Casein kinase II subunit alpha'' and Ligand = 'BDBM50420562'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Casein kinase II subunit alpha' (Homo sapiens (Human))	BDBM50420562 (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/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 Structure (crystal)