Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50028678'   

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))	BDBM50028678 (CHEMBL3356529) Show SMILES COc1ccc2nc3CCCCc3c(NCCCNC3=CC(=O)c4ccccc4C3=O)c2c1 |t:20| Show InChI InChI=1S/C27H27N3O3/c1-33-17-11-12-23-21(15-17)26(20-9-4-5-10-22(20)30-23)29-14-6-13-28-24-16-25(31)18-7-2-3-8-19(18)27(24)32/h2-3,7-8,11-12,15-16,28H,4-6,9-10,13-14H2,1H3,(H,29,30)	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	6.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
Alma Mater Studiorum-University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE after 5 mins by Ellman method				J Med Chem 57: 8576-89 (2014) Article DOI: 10.1021/jm5010804 BindingDB Entry DOI: 10.7270/Q25H7HVD
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