Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50318786'   

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))	BDBM50318786 (3-(2-(1-benzylpiperidin-4-yl)ethyl)-7,8-dihydroiso...) Show SMILES O=C1CNc2cc3onc(CCC4CCN(Cc5ccccc5)CC4)c3cc2C1 Show InChI InChI=1S/C24H27N3O2/c28-20-12-19-13-21-22(26-29-24(21)14-23(19)25-15-20)7-6-17-8-10-27(11-9-17)16-18-4-2-1-3-5-18/h1-5,13-14,17,25H,6-12,15-16H2	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	0.480	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of AChE				Eur J Med Chem 45: 1167-72 (2010) Article DOI: 10.1016/j.ejmech.2009.12.038 BindingDB Entry DOI: 10.7270/Q25H7GFM
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