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 = 'BDBM6855'   

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))	BDBM6855 (6-(trifluoromethyl)-3,13,23-triazahexacyclo[14.7.0...) Show SMILES FC(F)(F)c1ccc2c(c1)[nH]c1c3[nH]c4ccccc4c3c3C(=O)NC(=O)c3c21 Show InChI InChI=1S/C21H10F3N3O2/c22-21(23,24)8-5-6-10-12(7-8)26-18-14(10)16-15(19(28)27-20(16)29)13-9-3-1-2-4-11(9)25-17(13)18/h1-7,25-26H,(H,27,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+3	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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