Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50119786'   

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))	BDBM50119786 (1,8-di(2-isoquinoliniumyl)octane; with diiodide io...) Show SMILES C(CCCC[n+]1ccc2ccccc2c1)CCC[n+]1ccc2ccccc2c1 Show InChI InChI=1S/C26H30N2/c1(3-9-17-27-19-15-23-11-5-7-13-25(23)21-27)2-4-10-18-28-20-16-24-12-6-8-14-26(24)22-28/h5-8,11-16,19-22H,1-4,9-10,17-18H2/q+2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Defence Curated by ChEMBL					Assay Description Dissociation constant for enzyme-inhibitor complex 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
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50119786 (1,8-di(2-isoquinoliniumyl)octane; with diiodide io...) Show SMILES C(CCCC[n+]1ccc2ccccc2c1)CCC[n+]1ccc2ccccc2c1 Show InChI InChI=1S/C26H30N2/c1(3-9-17-27-19-15-23-11-5-7-13-25(23)21-27)2-4-10-18-28-20-16-24-12-6-8-14-26(24)22-28/h5-8,11-16,19-22H,1-4,9-10,17-18H2/q+2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	980	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Defence Curated by ChEMBL					Assay Description Dissociation constant for enzyme-inhibitor-substrate complex 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
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50119786 (1,8-di(2-isoquinoliniumyl)octane; with diiodide io...) Show SMILES C(CCCC[n+]1ccc2ccccc2c1)CCC[n+]1ccc2ccccc2c1 Show InChI InChI=1S/C26H30N2/c1(3-9-17-27-19-15-23-11-5-7-13-25(23)21-27)2-4-10-18-28-20-16-24-12-6-8-14-26(24)22-28/h5-8,11-16,19-22H,1-4,9-10,17-18H2/q+2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	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
					More data for this Ligand-Target Pair