Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50433747'   

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))	BDBM50433747 (CHEMBL2381430) Show SMILES COc1cc(CCC(=O)C2C(NC(=O)N=C2CCc2ccc(O)c(OC)c2)c2ccccc2)ccc1O |c:14| Show InChI InChI=1S/C29H30N2O6/c1-36-25-16-18(9-13-22(25)32)8-12-21-27(28(31-29(35)30-21)20-6-4-3-5-7-20)24(34)15-11-19-10-14-23(33)26(17-19)37-2/h3-7,9-10,13-14,16-17,27-28,32-33H,8,11-12,15H2,1-2H3,(H,31,35)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.63E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ramkhamhaeng University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate after 15 mins by Ellman's method				Bioorg Med Chem Lett 23: 2880-2 (2013) Article DOI: 10.1016/j.bmcl.2013.03.069 BindingDB Entry DOI: 10.7270/Q22Z16WD
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