Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50119779'   

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 (Torpedo marmorata (Marbled electric ray))	BDBM50119779 (1,1'-(decane-1,10-diyl)dipyridinium iodide | 1,10-...) Show SMILES C(CCCCC[n+]1ccccc1)CCCC[n+]1ccccc1 Show InChI InChI=1S/C20H30N2/c1(3-5-9-15-21-17-11-7-12-18-21)2-4-6-10-16-22-19-13-8-14-20-22/h7-8,11-14,17-20H,1-6,9-10,15-16H2/q+2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25.8	n/a	n/a	n/a	n/a	4.0	25
Université Louis Pasteur					Assay Description The inhibitory activity of the equilibrated mixtures was determined. The activity of AChE was monitored by following the linear change in absorbance...				Chembiochem 2: 438-44 (2001) Article DOI: 10.1002/1439-7633(20010601)2 BindingDB Entry DOI: 10.7270/Q2J964W8
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50119779 (1,1'-(decane-1,10-diyl)dipyridinium iodide | 1,10-...) Show SMILES C(CCCCC[n+]1ccccc1)CCCC[n+]1ccccc1 Show InChI InChI=1S/C20H30N2/c1(3-5-9-15-21-17-11-7-12-18-21)2-4-6-10-16-22-19-13-8-14-20-22/h7-8,11-14,17-20H,1-6,9-10,15-16H2/q+2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Military Health Sciences Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE after 5 mins by Ellman's method				Bioorg Med Chem Lett 20: 1763-6 (2010) Article DOI: 10.1016/j.bmcl.2010.01.034 BindingDB Entry DOI: 10.7270/Q2BK1CGS
					More data for this Ligand-Target Pair