Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50234777'   

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))	BDBM50234777 (CHEMBL4080318) Show SMILES Nc1c2CCCCc2nc2Oc3c(ccc4cccnc34)C(c3ccccc3Br)c12 Show InChI InChI=1S/C25H20BrN3O/c26-18-9-3-1-7-15(18)20-17-12-11-14-6-5-13-28-23(14)24(17)30-25-21(20)22(27)16-8-2-4-10-19(16)29-25/h1,3,5-7,9,11-13,20H,2,4,8,10H2,(H2,27,29)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	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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