Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50358094'   

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))	BDBM50358094 (CHEMBL1915208) Show SMILES COc1ccc2cc3-c4cc5OCOc5cc4CCn3cc2\c1=[NH+]\CCCCOc1cccc2ccccc12 Show InChI InChI=1S/C33H30N2O4/c1-36-30-12-11-23-17-28-26-19-32-31(38-21-39-32)18-24(26)13-15-35(28)20-27(23)33(30)34-14-4-5-16-37-29-10-6-8-22-7-2-3-9-25(22)29/h2-3,6-12,17-20H,4-5,13-16,21H2,1H3/p+1/b34-33-	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine chloride substrate as substrate preincubated for 15 mins by Ellman's method				Eur J Med Chem 46: 5885-93 (2011) Article DOI: 10.1016/j.ejmech.2011.09.051 BindingDB Entry DOI: 10.7270/Q2Z60PGX
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