Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50234773'   

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))	BDBM50234773 (CHEMBL4065862) Show SMILES Nc1c2CCCCc2nc2Oc3c(ccc4cccnc34)C(c3cccnc3Br)c12 Show InChI InChI=1S/C24H19BrN4O/c25-23-16(7-4-12-28-23)18-15-10-9-13-5-3-11-27-21(13)22(15)30-24-19(18)20(26)14-6-1-2-8-17(14)29-24/h3-5,7,9-12,18H,1-2,6,8H2,(H2,26,29)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
University of Sfax Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measure...				Eur J Med Chem 126: 576-589 (2017) Article DOI: 10.1016/j.ejmech.2016.11.050 BindingDB Entry DOI: 10.7270/Q21R6SR5
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