Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM9396'   

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))	BDBM9396 (CHEMBL56001 | N-[2-(1-benzylpiperidin-4-yl)ethyl]-...) Show SMILES CC(=O)c1ccc(cc1)C(=O)NCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C23H28N2O2/c1-18(26)21-7-9-22(10-8-21)23(27)24-14-11-19-12-15-25(16-13-19)17-20-5-3-2-4-6-20/h2-10,19H,11-17H2,1H3,(H,24,27)	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	51	n/a	n/a	n/a	n/a	7.4	25
Tsukuba Research Laboratories					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The amount of a yellow substance formed after incubation was d...				J Med Chem 33: 1880-7 (1990) Article DOI: 10.1021/jm00169a008 BindingDB Entry DOI: 10.7270/Q20Z71H2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM9396 (CHEMBL56001 | N-[2-(1-benzylpiperidin-4-yl)ethyl]-...) Show SMILES CC(=O)c1ccc(cc1)C(=O)NCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C23H28N2O2/c1-18(26)21-7-9-22(10-8-21)23(27)24-14-11-19-12-15-25(16-13-19)17-20-5-3-2-4-6-20/h2-10,19H,11-17H2,1H3,(H,24,27)	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	51.0	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