Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50317186'   

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))	BDBM50317186 (2-[5-(beta-Carboline-2-ium-2-yl)pentyl]-beta-carbo...) Show SMILES C(CC[n+]1ccc2c(c1)[nH]c1ccccc21)CC[n+]1ccc2c(c1)[nH]c1ccccc21 Show InChI InChI=1S/C27H24N4/c1(6-14-30-16-12-22-20-8-2-4-10-24(20)28-26(22)18-30)7-15-31-17-13-23-21-9-3-5-11-25(21)29-27(23)19-31/h2-5,8-13,16-19H,1,6-7,14-15H2/p+2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	595	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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