Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50394578'   

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))	BDBM50394578 (CHEMBL2160213) Show SMILES CN(CCCCCOc1ccc(cc1)-c1cc2ccccc2o1)Cc1ccccc1 Show InChI InChI=1S/C27H29NO2/c1-28(21-22-10-4-2-5-11-22)18-8-3-9-19-29-25-16-14-23(15-17-25)27-20-24-12-6-7-13-26(24)30-27/h2,4-7,10-17,20H,3,8-9,18-19,21H2,1H3	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	2.15E+5	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 using acetylthiocholine iodide as substrate preincubated for 20 mins prior to substrate addition by Ellman's met...				Eur J Med Chem 58: 519-32 (2012) Article DOI: 10.1016/j.ejmech.2012.10.045 BindingDB Entry DOI: 10.7270/Q2XW4KW5
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