Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50003998'   

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))	BDBM50003998 (5-Amino-2-[2-(1-benzyl-piperidin-4-yl)-ethyl]-isoi...) Show SMILES Nc1ccc2C(=O)N(CCC3CCN(Cc4ccccc4)CC3)C(=O)c2c1 Show InChI InChI=1S/C22H25N3O2/c23-18-6-7-19-20(14-18)22(27)25(21(19)26)13-10-16-8-11-24(12-9-16)15-17-4-2-1-3-5-17/h1-7,14,16H,8-13,15,23H2	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	8.80	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 (Mus musculus (mouse))	BDBM50003998 (5-Amino-2-[2-(1-benzyl-piperidin-4-yl)-ethyl]-isoi...) Show SMILES Nc1ccc2C(=O)N(CCC3CCN(Cc4ccccc4)CC3)C(=O)c2c1 Show InChI InChI=1S/C22H25N3O2/c23-18-6-7-19-20(14-18)22(27)25(21(19)26)13-10-16-8-11-24(12-9-16)15-17-4-2-1-3-5-17/h1-7,14,16H,8-13,15,23H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.80	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory concentration against acetylcholinesterase (AChE) obtained from mouse brain homogenate.				J Med Chem 35: 4542-8 (1993) BindingDB Entry DOI: 10.7270/Q25M64P8
					More data for this Ligand-Target Pair