Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50207443'   

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 (Electrophorus electricus (Electric eel))	BDBM50207443 (CHEMBL3915922) Show SMILES COc1cc2OC\C(=C/c3ccc(CN4CCCC4)c(O)c3)C(=O)c2cc1OC Show InChI InChI=1S/C23H25NO5/c1-27-21-11-18-20(12-22(21)28-2)29-14-17(23(18)26)9-15-5-6-16(19(25)10-15)13-24-7-3-4-8-24/h5-6,9-12,25H,3-4,7-8,13-14H2,1-2H3/b17-9+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	362	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate measured after 15 mins by Ellman's method				Bioorg Med Chem 25: 714-726 (2017) Article DOI: 10.1016/j.bmc.2016.11.048 BindingDB Entry DOI: 10.7270/Q21C1ZVW
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