Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50117942'   

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))	BDBM50117942 (CHEMBL3612824) Show SMILES COc1ccc(\C=C\C(=O)SSC(=O)\C=C\c2ccc(OC)cc2OC)c(OC)c1 Show InChI InChI=1S/C24H27N5O2S/c1-4-30-21-12-18-19(13-22(21)31-5-2)28-23(9-10-25)29-24(18)27-17-8-6-7-16(11-17)20-14-32-15(3)26-20/h6-8,11-14H,4-5,9-10,25H2,1-3H3,(H,27,28,29)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	142	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 DTNB as substrate incubated for 5 mins prior to substrate addition measured after 2 mins by Ellman's method				Bioorg Med Chem 23: 6389-403 (2015) Article DOI: 10.1016/j.bmc.2015.08.024 BindingDB Entry DOI: 10.7270/Q2W097QD
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