Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50317185'   

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))	BDBM50317185 (2-[7-(beta-Carboline-2-ium-2-yl)heptyl]-beta-carbo...) Show SMILES C(CCC[n+]1ccc2c(c1)[nH]c1ccccc21)CCC[n+]1ccc2c(c1)[nH]c1ccccc21 Show InChI InChI=1S/C29H28N4/c1(2-8-16-32-18-14-24-22-10-4-6-12-26(22)30-28(24)20-32)3-9-17-33-19-15-25-23-11-5-7-13-27(23)31-29(25)21-33/h4-7,10-15,18-21H,1-3,8-9,16-17H2/p+2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	81	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Schiller-Universitat Jena Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by modified Ellman's method				J Med Chem 53: 3611-7 (2010) Article DOI: 10.1021/jm1000024 BindingDB Entry DOI: 10.7270/Q2SJ1KS0
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