Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50335633'   

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))	BDBM50335633 (CHEMBL1651814 | rac-3-Ethyl-4-methyl-7-nitro-6,10b...) Show SMILES CCN1C(=O)NC2C(C(=O)Nc3c2cccc3[N+]([O-])=O)=C1C |c:21| Show InChI InChI=1S/C14H14N4O4/c1-3-17-7(2)10-12(16-14(17)20)8-5-4-6-9(18(21)22)11(8)15-13(10)19/h4-6,12H,3H2,1-2H3,(H,15,19)(H,16,20)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Université de Franche-Comté Curated by ChEMBL					Assay Description Inhibition of electric eel AChE after 15 mins by Ellman's method				Eur J Med Chem 46: 1-10 (2010) Article DOI: 10.1016/j.ejmech.2010.08.054 BindingDB Entry DOI: 10.7270/Q2NZ87X6
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