Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50358093'   

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))	BDBM50358093 (CHEMBL1915207) Show SMILES COc1ccc2cc3-c4cc5OCOc5cc4CCn3cc2\c1=[NH+]\CCc1ccc(Cl)cc1Cl Show InChI InChI=1S/C27H22Cl2N2O3/c1-32-24-5-3-17-10-23-20-13-26-25(33-15-34-26)11-18(20)7-9-31(23)14-21(17)27(24)30-8-6-16-2-4-19(28)12-22(16)29/h2-5,10-14H,6-9,15H2,1H3/p+1/b30-27-	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	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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