Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50004022'   

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 (Mus musculus (mouse))	BDBM50004022 (2-(2-(1-benzylpiperidin-4-yl)ethyl)isoindolin-1-on...) Show SMILES O=C1N(CCC2CCN(Cc3ccccc3)CC2)Cc2ccccc12 Show InChI InChI=1S/C22H26N2O/c25-22-21-9-5-4-8-20(21)17-24(22)15-12-18-10-13-23(14-11-18)16-19-6-2-1-3-7-19/h1-9,18H,10-17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	98.0	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-St. Louis Curated by ChEMBL					Assay Description Inhibition against Acetylcholinesterase (AChE)				J Med Chem 39: 380-7 (1996) Article DOI: 10.1021/jm950704x BindingDB Entry DOI: 10.7270/Q25D8T1Q
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50004022 (2-(2-(1-benzylpiperidin-4-yl)ethyl)isoindolin-1-on...) Show SMILES O=C1N(CCC2CCN(Cc3ccccc3)CC2)Cc2ccccc12 Show InChI InChI=1S/C22H26N2O/c25-22-21-9-5-4-8-20(21)17-24(22)15-12-18-10-13-23(14-11-18)16-19-6-2-1-3-7-19/h1-9,18H,10-17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	98	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against acetylcholinesterase				J Med Chem 38: 4821-9 (1996) BindingDB Entry DOI: 10.7270/Q2QC045T
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50004022 (2-(2-(1-benzylpiperidin-4-yl)ethyl)isoindolin-1-on...) Show SMILES O=C1N(CCC2CCN(Cc3ccccc3)CC2)Cc2ccccc12 Show InChI InChI=1S/C22H26N2O/c25-22-21-9-5-4-8-20(21)17-24(22)15-12-18-10-13-23(14-11-18)16-19-6-2-1-3-7-19/h1-9,18H,10-17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	98	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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50004022 (2-(2-(1-benzylpiperidin-4-yl)ethyl)isoindolin-1-on...) Show SMILES O=C1N(CCC2CCN(Cc3ccccc3)CC2)Cc2ccccc12 Show InChI InChI=1S/C22H26N2O/c25-22-21-9-5-4-8-20(21)17-24(22)15-12-18-10-13-23(14-11-18)16-19-6-2-1-3-7-19/h1-9,18H,10-17H2	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	98	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