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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit alpha-7' and Ligand = 'BDBM50300803'   
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))
BDBM50300803
PNG
(5-(piperidin-1-yl)-N-(4-(pyridin-3-yl)phenyl)penta...)
Show SMILES O=C(CCCCN1CCCCC1)Nc1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C21H27N3O/c25-21(8-2-5-16-24-14-3-1-4-15-24)23-20-11-9-18(10-12-20)19-7-6-13-22-17-19/h6-7,9-13,17H,1-5,8,14-16H2,(H,23,25)
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220n/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))
BDBM50300803
PNG
(5-(piperidin-1-yl)-N-(4-(pyridin-3-yl)phenyl)penta...)
Show SMILES O=C(CCCCN1CCCCC1)Nc1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C21H27N3O/c25-21(8-2-5-16-24-14-3-1-4-15-24)23-20-11-9-18(10-12-20)19-7-6-13-22-17-19/h6-7,9-13,17H,1-5,8,14-16H2,(H,23,25)
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n/an/an/an/a 350n/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))
BDBM50300803
PNG
(5-(piperidin-1-yl)-N-(4-(pyridin-3-yl)phenyl)penta...)
Show SMILES O=C(CCCCN1CCCCC1)Nc1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C21H27N3O/c25-21(8-2-5-16-24-14-3-1-4-15-24)23-20-11-9-18(10-12-20)19-7-6-13-22-17-19/h6-7,9-13,17H,1-5,8,14-16H2,(H,23,25)
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PubMed
n/an/an/an/a 530n/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


(Homo sapiens (Human))
BDBM50300803
PNG
(5-(piperidin-1-yl)-N-(4-(pyridin-3-yl)phenyl)penta...)
Show SMILES O=C(CCCCN1CCCCC1)Nc1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C21H27N3O/c25-21(8-2-5-16-24-14-3-1-4-15-24)23-20-11-9-18(10-12-20)19-7-6-13-22-17-19/h6-7,9-13,17H,1-5,8,14-16H2,(H,23,25)
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PC sid
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Article
PubMed
n/an/an/an/a 350n/an/an/an/a



Targacept, Inc

Curated by ChEMBL


Assay Description
Agonist activity at alpha7 nAChR


J Med Chem 54: 7943-61 (2011)


Article DOI: 10.1021/jm2007672
BindingDB Entry DOI: 10.7270/Q29P32QP
More data for this
Ligand-Target Pair