Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50342602'   

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))	BDBM50342602 (2,5-bis(3-(4-hydroxy-3-methoxybenzylamino)propylam...) Show SMILES COc1cc(CNCCCNc2cc(O)c(cc2O)N=CCCNCc2ccc(O)c(OC)c2)ccc1O |w:19.19| Show InChI InChI=1S/C28H36N4O6/c1-37-27-13-19(5-7-23(27)33)17-29-9-3-11-31-21-15-26(36)22(16-25(21)35)32-12-4-10-30-18-20-6-8-24(34)28(14-20)38-2/h5-8,11,13-16,29-30,32-36H,3-4,9-10,12,17-18H2,1-2H3	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	198	n/a	n/a	n/a	n/a	n/a	n/a
Department of Pharmaceutical Sciences-Alma Mater Studiorum-Bologna University Curated by ChEMBL					Assay Description Inhibition of human serum AChE				Bioorg Med Chem Lett 21: 2655-8 (2011) Article DOI: 10.1016/j.bmcl.2010.12.093 BindingDB Entry DOI: 10.7270/Q2445MSW
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