Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50032390'   

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))	BDBM50032390 (1-{2-[2-(Benzyl-methyl-amino)-ethoxy]-ethyl}-3-(3-...) Show SMILES CN(CCOCCNC([S-])=[NH+]C(=O)c1cccc(c1)[N+]([O-])=O)Cc1ccccc1 |w:10.10| Show InChI InChI=1S/C20H24N4O4S/c1-23(15-16-6-3-2-4-7-16)11-13-28-12-10-21-20(29)22-19(25)17-8-5-9-18(14-17)24(26)27/h2-9,14H,10-13,15H2,1H3,(H2,21,22,25,29)	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	15	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))	BDBM50032390 (1-{2-[2-(Benzyl-methyl-amino)-ethoxy]-ethyl}-3-(3-...) Show SMILES CN(CCOCCNC([S-])=[NH+]C(=O)c1cccc(c1)[N+]([O-])=O)Cc1ccccc1 |w:10.10| Show InChI InChI=1S/C20H24N4O4S/c1-23(15-16-6-3-2-4-7-16)11-13-28-12-10-21-20(29)22-19(25)17-8-5-9-18(14-17)24(26)27/h2-9,14H,10-13,15H2,1H3,(H2,21,22,25,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	15	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