Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50443701'   

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))	BDBM50443701 (CHEMBL3093836) Show SMILES CN(CCCCCCOc1ccc2c(c1)oc(cc2=O)-c1ccc(cc1)N(C)C)Cc1ccccc1 Show InChI InChI=1S/C31H36N2O3/c1-32(2)26-15-13-25(14-16-26)30-22-29(34)28-18-17-27(21-31(28)36-30)35-20-10-5-4-9-19-33(3)23-24-11-7-6-8-12-24/h6-8,11-18,21-22H,4-5,9-10,19-20,23H2,1-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.85E+3	n/a	n/a	n/a	n/a	n/a	n/a
Henan University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition by Ellman's method				Bioorg Med Chem 21: 7275-82 (2013) Article DOI: 10.1016/j.bmc.2013.09.061 BindingDB Entry DOI: 10.7270/Q25B03ZD
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