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Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit alpha-7' and Ligand = 'BDBM50300802'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50300802
PNG
(5-Morpholin-4-ylpentanoic acid(4-pyridin-3-ylpheny...)
Show SMILES O=C(CCCCN1CCOCC1)Nc1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C20H25N3O2/c24-20(5-1-2-11-23-12-14-25-15-13-23)22-19-8-6-17(7-9-19)18-4-3-10-21-16-18/h3-4,6-10,16H,1-2,5,11-15H2,(H,22,24)
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260n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat rat alpha7 nAChR expressed in rat GH4C1 cells


Bioorg Med Chem 17: 5247-58 (2009)


Article DOI: 10.1016/j.bmc.2009.05.040
BindingDB Entry DOI: 10.7270/Q29K4B8H
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50300802
PNG
(5-Morpholin-4-ylpentanoic acid(4-pyridin-3-ylpheny...)
Show SMILES O=C(CCCCN1CCOCC1)Nc1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C20H25N3O2/c24-20(5-1-2-11-23-12-14-25-15-13-23)22-19-8-6-17(7-9-19)18-4-3-10-21-16-18/h3-4,6-10,16H,1-2,5,11-15H2,(H,22,24)
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670n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]EB from rat nAChR alpha7 expressed in HEK293 cell membranes by liquid scintillation counting


Eur J Med Chem 84: 200-5 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.029
BindingDB Entry DOI: 10.7270/Q2M90BBX
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50300802
PNG
(5-Morpholin-4-ylpentanoic acid(4-pyridin-3-ylpheny...)
Show SMILES O=C(CCCCN1CCOCC1)Nc1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C20H25N3O2/c24-20(5-1-2-11-23-12-14-25-15-13-23)22-19-8-6-17(7-9-19)18-4-3-10-21-16-18/h3-4,6-10,16H,1-2,5,11-15H2,(H,22,24)
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670n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha7 nAChR transfected in HEK293 cells by liquid scintillation counting


Eur J Med Chem 95: 277-301 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.025
BindingDB Entry DOI: 10.7270/Q2DN46RR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50300802
PNG
(5-Morpholin-4-ylpentanoic acid(4-pyridin-3-ylpheny...)
Show SMILES O=C(CCCCN1CCOCC1)Nc1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C20H25N3O2/c24-20(5-1-2-11-23-12-14-25-15-13-23)22-19-8-6-17(7-9-19)18-4-3-10-21-16-18/h3-4,6-10,16H,1-2,5,11-15H2,(H,22,24)
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n/an/an/an/a 687n/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha7 nAChR expressed in GH4C1 cells by fluorescent calcium assay


Eur J Med Chem 95: 277-301 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.025
BindingDB Entry DOI: 10.7270/Q2DN46RR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50300802
PNG
(5-Morpholin-4-ylpentanoic acid(4-pyridin-3-ylpheny...)
Show SMILES O=C(CCCCN1CCOCC1)Nc1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C20H25N3O2/c24-20(5-1-2-11-23-12-14-25-15-13-23)22-19-8-6-17(7-9-19)18-4-3-10-21-16-18/h3-4,6-10,16H,1-2,5,11-15H2,(H,22,24)
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n/an/an/an/a 4.20E+4n/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha7 nAChR expressed in GH4C1 cells by patch-clamp electrophysiology assay


Eur J Med Chem 95: 277-301 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.025
BindingDB Entry DOI: 10.7270/Q2DN46RR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50300802
PNG
(5-Morpholin-4-ylpentanoic acid(4-pyridin-3-ylpheny...)
Show SMILES O=C(CCCCN1CCOCC1)Nc1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C20H25N3O2/c24-20(5-1-2-11-23-12-14-25-15-13-23)22-19-8-6-17(7-9-19)18-4-3-10-21-16-18/h3-4,6-10,16H,1-2,5,11-15H2,(H,22,24)
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n/an/an/an/a 9.50E+3n/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Partial agonist activity at wild type rat recombinant alpha7 nAChR expressed in Xenopus oocyte by voltage clamp electrophysiology assay


Bioorg Med Chem Lett 22: 2380-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.052
BindingDB Entry DOI: 10.7270/Q23779QR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50300802
PNG
(5-Morpholin-4-ylpentanoic acid(4-pyridin-3-ylpheny...)
Show SMILES O=C(CCCCN1CCOCC1)Nc1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C20H25N3O2/c24-20(5-1-2-11-23-12-14-25-15-13-23)22-19-8-6-17(7-9-19)18-4-3-10-21-16-18/h3-4,6-10,16H,1-2,5,11-15H2,(H,22,24)
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n/an/an/an/a 1.65E+3n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha7 nAChR expressed in rat GH4C1 cells assessed as calcium flux by FLIPR assay


Bioorg Med Chem 17: 5247-58 (2009)


Article DOI: 10.1016/j.bmc.2009.05.040
BindingDB Entry DOI: 10.7270/Q29K4B8H
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50300802
PNG
(5-Morpholin-4-ylpentanoic acid(4-pyridin-3-ylpheny...)
Show SMILES O=C(CCCCN1CCOCC1)Nc1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C20H25N3O2/c24-20(5-1-2-11-23-12-14-25-15-13-23)22-19-8-6-17(7-9-19)18-4-3-10-21-16-18/h3-4,6-10,16H,1-2,5,11-15H2,(H,22,24)
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n/an/an/an/a 1.20E+4n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Activity at rat alpha7 nAChR expressed in rat GH4C1 cells by patch clamp technique


Bioorg Med Chem 17: 5247-58 (2009)


Article DOI: 10.1016/j.bmc.2009.05.040
BindingDB Entry DOI: 10.7270/Q29K4B8H
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50300802
PNG
(5-Morpholin-4-ylpentanoic acid(4-pyridin-3-ylpheny...)
Show SMILES O=C(CCCCN1CCOCC1)Nc1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C20H25N3O2/c24-20(5-1-2-11-23-12-14-25-15-13-23)22-19-8-6-17(7-9-19)18-4-3-10-21-16-18/h3-4,6-10,16H,1-2,5,11-15H2,(H,22,24)
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n/an/an/an/a 1.65E+3n/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha7 nAChR expressed in HEK292 cells after 4 hrs by liquid scintillation counting


Bioorg Med Chem Lett 22: 2380-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.052
BindingDB Entry DOI: 10.7270/Q23779QR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50300802
PNG
(5-Morpholin-4-ylpentanoic acid(4-pyridin-3-ylpheny...)
Show SMILES O=C(CCCCN1CCOCC1)Nc1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C20H25N3O2/c24-20(5-1-2-11-23-12-14-25-15-13-23)22-19-8-6-17(7-9-19)18-4-3-10-21-16-18/h3-4,6-10,16H,1-2,5,11-15H2,(H,22,24)
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n/an/an/an/a 1.65E+3n/an/an/an/a



Siena Biotech SpA

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha7 nAChR expressed in rat GH4C1 cells


J Med Chem 53: 4379-89 (2010)


Article DOI: 10.1021/jm901692q
BindingDB Entry DOI: 10.7270/Q2S46S4Q
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50300802
PNG
(5-Morpholin-4-ylpentanoic acid(4-pyridin-3-ylpheny...)
Show SMILES O=C(CCCCN1CCOCC1)Nc1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C20H25N3O2/c24-20(5-1-2-11-23-12-14-25-15-13-23)22-19-8-6-17(7-9-19)18-4-3-10-21-16-18/h3-4,6-10,16H,1-2,5,11-15H2,(H,22,24)
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n/an/an/an/a 860n/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Agonist activity at rat nAChR alpha7 expressed in GH4C1 cells by fluorescent calcium assay


Eur J Med Chem 84: 200-5 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.029
BindingDB Entry DOI: 10.7270/Q2M90BBX
More data for this
Ligand-Target Pair