Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM203829'   

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))	BDBM203829 ((2E)-2-[(3,4-dimethoxy-2-methylphenyl)methylidene]...) Show SMILES COc1ccc(\C=C2/CCc3ccccc3C2=O)c(Cl)c1OC Show InChI InChI=1S/C20H20O3/c1-13-15(10-11-18(22-2)20(13)23-3)12-16-9-8-14-6-4-5-7-17(14)19(16)21/h4-7,10-12H,8-9H2,1-3H3/b16-12+	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.72E+4	n/a	n/a	n/a	n/a	8.0	25
Wuhan University of Technology					Assay Description This spectrophotometric assay is based on the reaction of 5,5-dithio-bis(2-nitrobenzoic)acid (DTNB) with thiocholine to yield a colored product. Sh...				Chem Biol Drug Des 88: 889-898 (2016) Article DOI: 10.1111/cbdd.12822 BindingDB Entry DOI: 10.7270/Q2TX3D65
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