Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50039722'   

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))	BDBM50039722 (3-(1-Benzyl-piperidin-4-ylmethoxy)-benzo[d]isoxazo...) Show SMILES C(Oc1noc2ccccc12)C1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C20H22N2O2/c1-2-6-16(7-3-1)14-22-12-10-17(11-13-22)15-23-20-18-8-4-5-9-19(18)24-21-20/h1-9,17H,10-15H2	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	2.57E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro (UFRJ) Curated by ChEMBL					Assay Description Inhibition of human acetylcholinesterase				Eur J Med Chem 46: 39-51 (2010) Article DOI: 10.1016/j.ejmech.2010.10.009 BindingDB Entry DOI: 10.7270/Q2SX6FG0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50039722 (3-(1-Benzyl-piperidin-4-ylmethoxy)-benzo[d]isoxazo...) Show SMILES C(Oc1noc2ccccc12)C1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C20H22N2O2/c1-2-6-16(7-3-1)14-22-12-10-17(11-13-22)15-23-20-18-8-4-5-9-19(18)24-21-20/h1-9,17H,10-15H2	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	2.58E+3	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 (Homo sapiens (Human))	BDBM50039722 (3-(1-Benzyl-piperidin-4-ylmethoxy)-benzo[d]isoxazo...) Show SMILES C(Oc1noc2ccccc12)C1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C20H22N2O2/c1-2-6-16(7-3-1)14-22-12-10-17(11-13-22)15-23-20-18-8-4-5-9-19(18)24-21-20/h1-9,17H,10-15H2	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	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Inhibitory activity against Acetylcholinesterase enzyme using human AChE assay				J Med Chem 47: 5492-500 (2004) Article DOI: 10.1021/jm049695v BindingDB Entry DOI: 10.7270/Q2765G3W
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50039722 (3-(1-Benzyl-piperidin-4-ylmethoxy)-benzo[d]isoxazo...) Show SMILES C(Oc1noc2ccccc12)C1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C20H22N2O2/c1-2-6-16(7-3-1)14-22-12-10-17(11-13-22)15-23-20-18-8-4-5-9-19(18)24-21-20/h1-9,17H,10-15H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Evaluated for the in vitro inhibition of the Acetylcholinesterase (AChE) from human erythrocytes				J Med Chem 37: 2721-34 (1994) BindingDB Entry DOI: 10.7270/Q2VT1R4X
					More data for this Ligand-Target Pair