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BDBM50039718 3-(2-(1-benzylpiperidin-4-yl)ethyl)benzo[d]isoxazole-6-carbonitrile::3-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-benzo[d]isoxazole-6-carbonitrile::CHEMBL92775

SMILES: N#Cc1ccc2c(CCC3CCN(Cc4ccccc4)CC3)noc2c1

InChI Key: InChIKey=XTRTWLAGVWOKQO-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50039718   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Cholinesterases


(Homo sapiens (Human))
BDBM50039718
PNG
(3-(2-(1-benzylpiperidin-4-yl)ethyl)benzo[d]isoxazo...)
Show SMILES N#Cc1ccc2c(CCC3CCN(Cc4ccccc4)CC3)noc2c1
Show InChI InChI=1S/C22H23N3O/c23-15-19-6-8-20-21(24-26-22(20)14-19)9-7-17-10-12-25(13-11-17)16-18-4-2-1-3-5-18/h1-6,8,14,17H,7,9-13,16H2
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n/an/a 101n/an/an/an/an/an/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
Cholinesterases


(Homo sapiens (Human))
BDBM50039718
PNG
(3-(2-(1-benzylpiperidin-4-yl)ethyl)benzo[d]isoxazo...)
Show SMILES N#Cc1ccc2c(CCC3CCN(Cc4ccccc4)CC3)noc2c1
Show InChI InChI=1S/C22H23N3O/c23-15-19-6-8-20-21(24-26-22(20)14-19)9-7-17-10-12-25(13-11-17)16-18-4-2-1-3-5-18/h1-6,8,14,17H,7,9-13,16H2
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Article
PubMed
n/an/a 100n/an/an/an/an/an/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
Cholinesterases


(Homo sapiens (Human))
BDBM50039718
PNG
(3-(2-(1-benzylpiperidin-4-yl)ethyl)benzo[d]isoxazo...)
Show SMILES N#Cc1ccc2c(CCC3CCN(Cc4ccccc4)CC3)noc2c1
Show InChI InChI=1S/C22H23N3O/c23-15-19-6-8-20-21(24-26-22(20)14-19)9-7-17-10-12-25(13-11-17)16-18-4-2-1-3-5-18/h1-6,8,14,17H,7,9-13,16H2
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n/an/a 101n/an/an/an/an/an/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
Cholinesterases


(Homo sapiens (Human))
BDBM50039718
PNG
(3-(2-(1-benzylpiperidin-4-yl)ethyl)benzo[d]isoxazo...)
Show SMILES N#Cc1ccc2c(CCC3CCN(Cc4ccccc4)CC3)noc2c1
Show InChI InChI=1S/C22H23N3O/c23-15-19-6-8-20-21(24-26-22(20)14-19)9-7-17-10-12-25(13-11-17)16-18-4-2-1-3-5-18/h1-6,8,14,17H,7,9-13,16H2
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Article
PubMed
n/an/a 101n/an/an/an/an/an/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