Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50207462'   

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))	BDBM50207462 (CHEMBL3938618) Show SMILES COc1cc2OC\C(=C/c3cccc(O)c3CN3CCN(C)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H28N2O5/c1-25-7-9-26(10-8-25)14-19-16(5-4-6-20(19)27)11-17-15-31-21-13-23(30-3)22(29-2)12-18(21)24(17)28/h4-6,11-13,27H,7-10,14-15H2,1-3H3/b17-11+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.41E+4	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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