Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50448137'   

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))	BDBM50448137 (CHEMBL3122148) Show SMILES CCOC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c3CCCN(Cc4ccc(OC)cc4)c3c2c1 Show InChI InChI=1S/C29H27ClN2O3/c1-3-35-29(33)21-10-15-26-25(17-21)28-24(27(31-26)20-8-11-22(30)12-9-20)5-4-16-32(28)18-19-6-13-23(34-2)14-7-19/h6-15,17H,3-5,16,18H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 ...				Eur J Med Chem 73: 141-52 (2014) Article DOI: 10.1016/j.ejmech.2013.12.008 BindingDB Entry DOI: 10.7270/Q2CF9RKN
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