BindingDB PrimarySearch

BDBM50039719 3-(2-(1-benzylpiperidin-4-yl)ethyl)benzo[d]isoxazol-6-amine::3-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-benzo[d]isoxazol-6-ylamine::CHEMBL420625

SMILES: Nc1ccc2c(CCC3CCN(Cc4ccccc4)CC3)noc2c1

InChI Key: InChIKey=LLOAJMWVAODKLQ-UHFFFAOYSA-N

Data: 5 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50039719
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Acetylcholinesterase (Homo sapiens (Human))	BDBM50039719 (3-(2-(1-benzylpiperidin-4-yl)ethyl)benzo[d]isoxazo...) Show SMILES Nc1ccc2c(CCC3CCN(Cc4ccccc4)CC3)noc2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	19.9	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))	BDBM50039719 (3-(2-(1-benzylpiperidin-4-yl)ethyl)benzo[d]isoxazo...) Show SMILES Nc1ccc2c(CCC3CCN(Cc4ccccc4)CC3)noc2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	20	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
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50039719 (3-(2-(1-benzylpiperidin-4-yl)ethyl)benzo[d]isoxazo...) Show SMILES Nc1ccc2c(CCC3CCN(Cc4ccccc4)CC3)noc2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	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
University of Missouri-St. Louis Curated by ChEMBL					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50039719 (3-(2-(1-benzylpiperidin-4-yl)ethyl)benzo[d]isoxazo...) Show SMILES Nc1ccc2c(CCC3CCN(Cc4ccccc4)CC3)noc2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	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
University of Kansas Curated by ChEMBL					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50039719 (3-(2-(1-benzylpiperidin-4-yl)ethyl)benzo[d]isoxazo...) Show SMILES Nc1ccc2c(CCC3CCN(Cc4ccccc4)CC3)noc2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	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
Sichuan University Curated by ChEMBL					More data for this Ligand-Target Pair