Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Calcium/calmodulin-dependent protein kinase kinase 2' and Ligand = 'BDBM50271779'   

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 kinase 2 (Homo sapiens (Human))	BDBM50271779 (CHEMBL4127479) Show SMILES Cc1ccc(OCCN2CCOCC2)cc1-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C27H28N4O3/c1-18-2-7-21(34-15-12-31-10-13-33-14-11-31)16-23(18)25-17-24-22(8-9-29-27(24)30-25)19-3-5-20(6-4-19)26(28)32/h2-9,16-17H,10-15H2,1H3,(H2,28,32)(H,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human GST-tagged CAMKK2 using 5FAM-AKPKGNKDYHLQTCCGSLAYRRR-amide as substrate preincubated for 30 mins followed by substrat...				Bioorg Med Chem Lett 28: 1958-1963 (2018) Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB
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