Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50342605'   

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))	BDBM50342605 (2,5-bis(6-(benzofuran-2-ylmethylamino)hexylamino)c...) Show SMILES Oc1cc(N=CCCCCCNCc2cc3ccccc3o2)c(O)cc1NCCCCCCNCc1cc2ccccc2o1 |w:4.3| Show InChI InChI=1S/C36H44N4O4/c41-33-24-32(40-20-12-4-2-10-18-38-26-30-22-28-14-6-8-16-36(28)44-30)34(42)23-31(33)39-19-11-3-1-9-17-37-25-29-21-27-13-5-7-15-35(27)43-29/h5-8,13-16,19,21-24,37-38,40-42H,1-4,9-12,17-18,20,25-26H2	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	>1.00E+4	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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