Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50032388'   

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))	BDBM50032388 (1-(2-(2-(benzyl(methyl)amino)ethoxy)ethyl)-3-(4-(t...) Show SMILES CN(CCOCCNC(=S)Nc1ccc(OC(F)(F)F)cc1)Cc1ccccc1 Show InChI InChI=1S/C20H24F3N3O2S/c1-26(15-16-5-3-2-4-6-16)12-14-27-13-11-24-19(29)25-17-7-9-18(10-8-17)28-20(21,22)23/h2-10H,11-15H2,1H3,(H2,24,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.00E+3	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))	BDBM50032388 (1-(2-(2-(benzyl(methyl)amino)ethoxy)ethyl)-3-(4-(t...) Show SMILES CN(CCOCCNC(=S)Nc1ccc(OC(F)(F)F)cc1)Cc1ccccc1 Show InChI InChI=1S/C20H24F3N3O2S/c1-26(15-16-5-3-2-4-6-16)12-14-27-13-11-24-19(29)25-17-7-9-18(10-8-17)28-20(21,22)23/h2-10H,11-15H2,1H3,(H2,24,25,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	1.00E+3	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