Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50248878'   

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 (Rattus norvegicus (rat))	BDBM50248878 (5,6-Dimethoxy-2-{4-[(pyrrolidin-1-yl)methyl] benzy...) Show SMILES COc1cc2oc(Cc3ccc(CN4CCCC4)cc3)c(O)c2cc1OC Show InChI InChI=1S/C22H25NO4/c1-25-19-12-17-18(13-20(19)26-2)27-21(22(17)24)11-15-5-7-16(8-6-15)14-23-9-3-4-10-23/h5-8,12-13,24H,3-4,9-11,14H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of AChE in rat cortex after 15 mins by modified Ellman method				Eur J Med Chem 44: 7-17 (2008) Article DOI: 10.1016/j.ejmech.2008.03.003 BindingDB Entry DOI: 10.7270/Q29W0F8B
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