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 = 'BDBM50271793'   

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))	BDBM50271793 (CHEMBL4128483) Show SMILES Cc1cc(ccc1C(O)=O)-c1c[nH]c2ncc(cc12)-c1ccccc1 Show InChI InChI=1S/C21H16N2O2/c1-13-9-15(7-8-17(13)21(24)25)19-12-23-20-18(19)10-16(11-22-20)14-5-3-2-4-6-14/h2-12H,1H3,(H,22,23)(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	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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