Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50499526'   

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))	BDBM50499526 (CHEMBL3742126) Show SMILES NCc1ccc(cc1)-c1nc2ccc(Cl)cc2c2NCCCc12 Show InChI InChI=1S/C19H18ClN3/c20-14-7-8-17-16(10-14)19-15(2-1-9-22-19)18(23-17)13-5-3-12(11-21)4-6-13/h3-8,10,22H,1-2,9,11,21H2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	970	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus acetylcholinesterase pre-incubated for 20 mins before acetylthiocholine iodide substrate addition by spectroph...				Eur J Med Chem 105: 120-37 (2015) Article DOI: 10.1016/j.ejmech.2015.10.007 BindingDB Entry DOI: 10.7270/Q2GF0XHB
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