Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50308276'   

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 (Homo sapiens (Human))	BDBM50308276 (2-{4-[(Benzylethylamino)methyl]benzylidene}-6-meth...) Show SMILES CCN(Cc1ccccc1)Cc1ccc(\C=C2/Cc3ccc(OC)cc3C2=O)cc1 Show InChI InChI=1S/C27H27NO2/c1-3-28(18-21-7-5-4-6-8-21)19-22-11-9-20(10-12-22)15-24-16-23-13-14-25(30-2)17-26(23)27(24)29/h4-15,17H,3,16,18-19H2,1-2H3/b24-15+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.93E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE preincubated for 20 mins before substrate addition by Ellman's method				Bioorg Med Chem 18: 1749-60 (2010) Article DOI: 10.1016/j.bmc.2010.01.071 BindingDB Entry DOI: 10.7270/Q2P26Z7H
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