Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50358095'   

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))	BDBM50358095 (CHEMBL1915209) Show SMILES COc1ccc2cc3-c4cc5OCOc5cc4CCn3cc2\c1=[NH+]\CCCCOc1cccnc1 Show InChI InChI=1S/C28H27N3O4/c1-32-25-7-6-19-13-24-22-15-27-26(34-18-35-27)14-20(22)8-11-31(24)17-23(19)28(25)30-10-2-3-12-33-21-5-4-9-29-16-21/h4-7,9,13-17H,2-3,8,10-12,18H2,1H3/p+1/b30-28-	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.17E+3	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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