Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50232219'   

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))	BDBM50232219 (CHEMBL4103604) Show SMILES COc1cc(\C=C\C(=O)Nc2ccccc2)ccc1OCCCCCN(C)C Show InChI InChI=1S/C23H30N2O3/c1-25(2)16-8-5-9-17-28-21-14-12-19(18-22(21)27-3)13-15-23(26)24-20-10-6-4-7-11-20/h4,6-7,10-15,18H,5,8-9,16-17H2,1-3H3,(H,24,26)/b15-13+	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	3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hu'nan University Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (unknown origin) using acetylthiocholine iodide as substrate after 25 mins by Ellmann method				Eur J Med Chem 126: 810-822 (2017) Article DOI: 10.1016/j.ejmech.2016.12.003 BindingDB Entry DOI: 10.7270/Q2HH6N9M
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