BDBM50039724 Benzo[d]isoxazol-3-yl-[2-(1-benzyl-piperidin-4-yl)-ethyl]-amine::CHEMBL328715::N-(2-(1-benzylpiperidin-4-yl)ethyl)benzo[d]isoxazol-3-amine

SMILES: C(CC1CCN(Cc2ccccc2)CC1)Nc1noc2ccccc12

InChI Key: InChIKey=DZSDRGBLRNZFES-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50039724   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Acetylcholinesterase (Homo sapiens (Human))	BDBM50039724 (Benzo[d]isoxazol-3-yl-[2-(1-benzyl-piperidin-4-yl)...) Show SMILES C(CC1CCN(Cc2ccccc2)CC1)Nc1noc2ccccc12 Show InChI InChI=1S/C21H25N3O/c1-2-6-18(7-3-1)16-24-14-11-17(12-15-24)10-13-22-21-19-8-4-5-9-20(19)25-23-21/h1-9,17H,10-16H2,(H,22,23)	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	813	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))	BDBM50039724 (Benzo[d]isoxazol-3-yl-[2-(1-benzyl-piperidin-4-yl)...) Show SMILES C(CC1CCN(Cc2ccccc2)CC1)Nc1noc2ccccc12 Show InChI InChI=1S/C21H25N3O/c1-2-6-18(7-3-1)16-24-14-11-17(12-15-24)10-13-22-21-19-8-4-5-9-20(19)25-23-21/h1-9,17H,10-16H2,(H,22,23)	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	810	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))	BDBM50039724 (Benzo[d]isoxazol-3-yl-[2-(1-benzyl-piperidin-4-yl)...) Show SMILES C(CC1CCN(Cc2ccccc2)CC1)Nc1noc2ccccc12 Show InChI InChI=1S/C21H25N3O/c1-2-6-18(7-3-1)16-24-14-11-17(12-15-24)10-13-22-21-19-8-4-5-9-20(19)25-23-21/h1-9,17H,10-16H2,(H,22,23)	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	810	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 (Homo sapiens (Human))	BDBM50039724 (Benzo[d]isoxazol-3-yl-[2-(1-benzyl-piperidin-4-yl)...) Show SMILES C(CC1CCN(Cc2ccccc2)CC1)Nc1noc2ccccc12 Show InChI InChI=1S/C21H25N3O/c1-2-6-18(7-3-1)16-24-14-11-17(12-15-24)10-13-22-21-19-8-4-5-9-20(19)25-23-21/h1-9,17H,10-16H2,(H,22,23)	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	810	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