Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50161801'   

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))	BDBM50161801 (CHEMBL3787510) Show SMILES COc1cccc(\C=C2/CN(C)C\C(=C/c3cccc(OC)c3Cl)C2=O)c1Cl Show InChI InChI=1S/C22H21Cl2NO3/c1-25-12-16(10-14-6-4-8-18(27-2)20(14)23)22(26)17(13-25)11-15-7-5-9-19(28-3)21(15)24/h4-11H,12-13H2,1-3H3/b16-10+,17-11+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University of Technology Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured for 10 mi...				Bioorg Med Chem 24: 2352-9 (2016) Article DOI: 10.1016/j.bmc.2016.04.015 BindingDB Entry DOI: 10.7270/Q2S46TVJ
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