Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50183043'   

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))	BDBM50183043 (CHEMBL3819454) Show SMILES O=[#6]-1\[#6](=[#6]\c2ccc(cc2)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](-c2ccccc2)-c2ccccc2)-[#6](=O)-c2ccccc-12 Show InChI InChI=1S/C33H28N2O2/c36-32-28-13-7-8-14-29(28)33(37)30(32)23-24-15-17-27(18-16-24)34-19-21-35(22-20-34)31(25-9-3-1-4-10-25)26-11-5-2-6-12-26/h1-18,23,31H,19-22H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	61	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...				Bioorg Med Chem 24: 3829-41 (2016) Article DOI: 10.1016/j.bmc.2016.06.027 BindingDB Entry DOI: 10.7270/Q24Q7WXM
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