Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Calcium/calmodulin-dependent protein kinase type II subunit alpha' and Ligand = 'BDBM6856'   

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
Calcium/calmodulin-dependent protein kinase type II subunit alpha (Rattus norvegicus (rat))	BDBM6856 (6-methoxy-3,13,23-triazahexacyclo[14.7.0.0^{2,10}....) Show SMILES COc1ccc2c(c1)[nH]c1c3[nH]c4ccccc4c3c3C(=O)NC(=O)c3c21 Show InChI InChI=1S/C21H13N3O3/c1-27-9-6-7-11-13(8-9)23-19-15(11)17-16(20(25)24-21(17)26)14-10-4-2-3-5-12(10)22-18(14)19/h2-8,22-23H,1H3,(H,24,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	236	n/a	n/a	n/a	n/a	n/a	25
Lilly Research Laboratories					Assay Description In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A...				J Med Chem 46: 2027-30 (2003) Article DOI: 10.1021/jm0256169 BindingDB Entry DOI: 10.7270/Q2668BCN
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