Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50310597'   

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))	BDBM50310597 (2-benzoyl-5,6-dimethoxy-2,3-dihydro-1H-inden-1-one...) Show SMILES COc1cc2CC(C(=O)c3ccccc3)C(=O)c2cc1OC Show InChI InChI=1S/C18H16O4/c1-21-15-9-12-8-14(17(19)11-6-4-3-5-7-11)18(20)13(12)10-16(15)22-2/h3-7,9-10,14H,8H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Alwar Pharmacy College Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE by Ellman's method				Bioorg Med Chem Lett 19: 5075-7 (2009) Article DOI: 10.1016/j.bmcl.2009.07.042 BindingDB Entry DOI: 10.7270/Q2Z0389S
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