Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50210871'   

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))	BDBM50210871 (CHEMBL3964617) Show SMILES COc1cc2C\C(=C/c3ccc(cc3)N3CCN(CC3)C(=O)c3ccccc3)C(=O)c2cc1OC Show InChI InChI=1S/C29H28N2O4/c1-34-26-18-22-17-23(28(32)25(22)19-27(26)35-2)16-20-8-10-24(11-9-20)30-12-14-31(15-13-30)29(33)21-6-4-3-5-7-21/h3-11,16,18-19H,12-15,17H2,1-2H3/b23-16+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Inhibition of Electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2 m...				Eur J Med Chem 125: 736-750 (2017) Article DOI: 10.1016/j.ejmech.2016.09.057 BindingDB Entry DOI: 10.7270/Q2Z89FJ1
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