Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50358084'   

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))	BDBM50358084 (CHEMBL1915198) Show SMILES COc1ccc2cc3-c4cc5OCOc5cc4CCn3cc2\c1=[NH+]\CCc1cccs1 Show InChI InChI=1S/C25H22N2O3S/c1-28-22-5-4-16-11-21-19-13-24-23(29-15-30-24)12-17(19)7-9-27(21)14-20(16)25(22)26-8-6-18-3-2-10-31-18/h2-5,10-14H,6-9,15H2,1H3/p+1/b26-25-	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	608	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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