Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50039231'   

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))	BDBM50039231 (3-(1-Benzyl-piperidin-4-yl)-1-(1-pentyl-2,3-dihydr...) Show SMILES CCCCCN1CCc2cc(ccc12)C(=O)CCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C28H38N2O/c1-2-3-7-17-30-20-16-25-21-26(11-12-27(25)30)28(31)13-10-23-14-18-29(19-15-23)22-24-8-5-4-6-9-24/h4-6,8-9,11-12,21,23H,2-3,7,10,13-20,22H2,1H3	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	47	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))	BDBM50039231 (3-(1-Benzyl-piperidin-4-yl)-1-(1-pentyl-2,3-dihydr...) Show SMILES CCCCCN1CCc2cc(ccc12)C(=O)CCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C28H38N2O/c1-2-3-7-17-30-20-16-25-21-26(11-12-27(25)30)28(31)13-10-23-14-18-29(19-15-23)22-24-8-5-4-6-9-24/h4-6,8-9,11-12,21,23H,2-3,7,10,13-20,22H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (AChE)				J Med Chem 37: 2292-9 (1994) BindingDB Entry DOI: 10.7270/Q2SX6C8G
					More data for this Ligand-Target Pair