Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50032398'   

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))	BDBM50032398 (1-{2-[2-(Benzyl-methyl-amino)-ethoxy]-ethyl}-3-(4-...) Show SMILES COc1ccc(cc1)C(=O)NC(=S)NCCOCCN(C)Cc1ccccc1 Show InChI InChI=1S/C21H27N3O3S/c1-24(16-17-6-4-3-5-7-17)13-15-27-14-12-22-21(28)23-20(25)18-8-10-19(26-2)11-9-18/h3-11H,12-16H2,1-2H3,(H2,22,23,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of AChE				Eur J Med Chem 45: 1167-72 (2010) Article DOI: 10.1016/j.ejmech.2009.12.038 BindingDB Entry DOI: 10.7270/Q25H7GFM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50032398 (1-{2-[2-(Benzyl-methyl-amino)-ethoxy]-ethyl}-3-(4-...) Show SMILES COc1ccc(cc1)C(=O)NC(=S)NCCOCCN(C)Cc1ccccc1 Show InChI InChI=1S/C21H27N3O3S/c1-24(16-17-6-4-3-5-7-17)13-15-27-14-12-22-21(28)23-20(25)18-8-10-19(26-2)11-9-18/h3-11H,12-16H2,1-2H3,(H2,22,23,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Curated by ChEMBL					Assay Description In vitro inhibitory effect on rat Acetylcholinesterase				J Med Chem 38: 2969-73 (1995) BindingDB Entry DOI: 10.7270/Q22B8X2S
					More data for this Ligand-Target Pair