Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50119803'   

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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50119803 (1,6-di(2-isoquinoliniumyl)hexane; with diiodide io...) Show SMILES C(CCC[n+]1ccc2ccccc2c1)CC[n+]1ccc2ccccc2c1 Show InChI InChI=1S/C24H26N2/c1(7-15-25-17-13-21-9-3-5-11-23(21)19-25)2-8-16-26-18-14-22-10-4-6-12-24(22)20-26/h3-6,9-14,17-20H,1-2,7-8,15-16H2/q+2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
University of Defence Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE by Lineweaver-Burk plot analysis				Eur J Med Chem 46: 811-8 (2011) Article DOI: 10.1016/j.ejmech.2010.12.011 BindingDB Entry DOI: 10.7270/Q2PR7W8D
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