Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50079196'   

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))	BDBM50079196 (CHEMBL3416651) Show SMILES CCN(CC)C(=O)Oc1ccc(\C=C2/Oc3cc(OC)ccc3C2=O)cc1 Show InChI InChI=1S/C21H21NO5/c1-4-22(5-2)21(24)26-15-8-6-14(7-9-15)12-19-20(23)17-11-10-16(25-3)13-18(17)27-19/h6-13H,4-5H2,1-3H3/b19-12-	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.09E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Sains Malaysia Curated by ChEMBL					Assay Description Inhibition of electric eel AChE incubated for 15 mins using acetylcholine iodide substrate by colorimetric Ellman's method				Eur J Med Chem 94: 195-210 (2015) Article DOI: 10.1016/j.ejmech.2015.02.055 BindingDB Entry DOI: 10.7270/Q2959K85
					More data for this Ligand-Target Pair