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Compile Data Set for Download or QSAR

Found 15 hits Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit alpha-7' and Ligand = 'BDBM50143282'   
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))
BDBM50143282
PNG
((-)-cytisine | (1R,5S)-1,2,3,4,5,6-Hexahydro-1,5-m...)
Show SMILES O=c1cccc2[C@H]3CNC[C@H](C3)Cn12
Show InChI InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8?,9-/m1/s1
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0.900n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Nicotinic acetylcholine receptor alpha7 using [125I]-alpha-Bungarotoxin in rat brain


J Med Chem 44: 4704-15 (2001)


BindingDB Entry DOI: 10.7270/Q2X63NP1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50143282
PNG
((-)-cytisine | (1R,5S)-1,2,3,4,5,6-Hexahydro-1,5-m...)
Show SMILES O=c1cccc2[C@H]3CNC[C@H](C3)Cn12
Show InChI InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8?,9-/m1/s1
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230n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR from rat hippocampus


J Nat Prod 76: 727-31 (2013)


Article DOI: 10.1021/np3007028
BindingDB Entry DOI: 10.7270/Q2F1912Q
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50143282
PNG
((-)-cytisine | (1R,5S)-1,2,3,4,5,6-Hexahydro-1,5-m...)
Show SMILES O=c1cccc2[C@H]3CNC[C@H](C3)Cn12
Show InChI InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8?,9-/m1/s1
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261n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]methyllycaconitine from Sprague-Dawley rat brain alpha7 nAChR after 120 mins by liquid scintillation counting analysis


Bioorg Med Chem 21: 7309-29 (2013)


Article DOI: 10.1016/j.bmc.2013.09.060
BindingDB Entry DOI: 10.7270/Q2FJ2KRT
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50143282
PNG
((-)-cytisine | (1R,5S)-1,2,3,4,5,6-Hexahydro-1,5-m...)
Show SMILES O=c1cccc2[C@H]3CNC[C@H](C3)Cn12
Show InChI InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8?,9-/m1/s1
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300n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-Bungarotoxin from alpha7 nAChR in rat cortical membrane


Bioorg Med Chem 18: 4498-508 (2010)


Article DOI: 10.1016/j.bmc.2010.04.065
BindingDB Entry DOI: 10.7270/Q27M08XD
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50143282
PNG
((-)-cytisine | (1R,5S)-1,2,3,4,5,6-Hexahydro-1,5-m...)
Show SMILES O=c1cccc2[C@H]3CNC[C@H](C3)Cn12
Show InChI InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8?,9-/m1/s1
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331n/an/an/an/an/an/an/an/a



Università degli Studi di Genova

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nicotinic acetylcholine receptor in rat brain cortex membrane homogenates


J Med Chem 52: 4345-57 (2009)


Article DOI: 10.1021/jm900225j
BindingDB Entry DOI: 10.7270/Q2K64J03
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50143282
PNG
((-)-cytisine | (1R,5S)-1,2,3,4,5,6-Hexahydro-1,5-m...)
Show SMILES O=c1cccc2[C@H]3CNC[C@H](C3)Cn12
Show InChI InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8?,9-/m1/s1
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1.00E+3n/an/an/an/an/an/an/an/a



ENSICAEN-Université de Caen Basse-Normandie

Curated by ChEMBL


Assay Description
Displacement of [125I]alphaBungarotoxin from alpha7 nAchR in rat brain cell membrane


Bioorg Med Chem Lett 20: 6667-70 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.017
BindingDB Entry DOI: 10.7270/Q27M085J
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50143282
PNG
((-)-cytisine | (1R,5S)-1,2,3,4,5,6-Hexahydro-1,5-m...)
Show SMILES O=c1cccc2[C@H]3CNC[C@H](C3)Cn12
Show InChI InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8?,9-/m1/s1
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1.42E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human Nicotinic acetylcholine receptor alpha7 expressed in IMR32 cells using [3H]alpha-bungarotoxin


Bioorg Med Chem Lett 15: 4889-97 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.035
BindingDB Entry DOI: 10.7270/Q2MS3TJC
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50143282
PNG
((-)-cytisine | (1R,5S)-1,2,3,4,5,6-Hexahydro-1,5-m...)
Show SMILES O=c1cccc2[C@H]3CNC[C@H](C3)Cn12
Show InChI InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8?,9-/m1/s1
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1.70E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]MLA from rat alpha7 nAChR by liquid scintillation counting


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115820
BindingDB Entry DOI: 10.7270/Q2WW7N96
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50143282
PNG
((-)-cytisine | (1R,5S)-1,2,3,4,5,6-Hexahydro-1,5-m...)
Show SMILES O=c1cccc2[C@H]3CNC[C@H](C3)Cn12
Show InChI InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8?,9-/m1/s1
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4.20E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [125I]alpha-bungarotoxin binding to nicotinic acetylcholine receptor alpha-7 subunit in rat GH4C1 cells


J Med Chem 48: 3474-7 (2005)


Article DOI: 10.1021/jm050069n
BindingDB Entry DOI: 10.7270/Q2N87BJ7
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50143282
PNG
((-)-cytisine | (1R,5S)-1,2,3,4,5,6-Hexahydro-1,5-m...)
Show SMILES O=c1cccc2[C@H]3CNC[C@H](C3)Cn12
Show InChI InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8?,9-/m1/s1
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4.20E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]alpha-bungarotoxin binding to nicotinic acetylcholine receptor alpha7 of IMR32 cells


Bioorg Med Chem Lett 15: 2974-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.036
BindingDB Entry DOI: 10.7270/Q25Q4WWB
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50143282
PNG
((-)-cytisine | (1R,5S)-1,2,3,4,5,6-Hexahydro-1,5-m...)
Show SMILES O=c1cccc2[C@H]3CNC[C@H](C3)Cn12
Show InChI InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8?,9-/m1/s1
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5.82E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from rat alpha7 nAChR in GH4C1 cells


Bioorg Med Chem Lett 18: 2316-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.078
BindingDB Entry DOI: 10.7270/Q22808GK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50143282
PNG
((-)-cytisine | (1R,5S)-1,2,3,4,5,6-Hexahydro-1,5-m...)
Show SMILES O=c1cccc2[C@H]3CNC[C@H](C3)Cn12
Show InChI InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8?,9-/m1/s1
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5.89E+3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Partial agonist activity at alpha7 nAChR (unknown origin)


J Med Chem 57: 8204-23 (2014)


Article DOI: 10.1021/jm401937a
BindingDB Entry DOI: 10.7270/Q2KW5HPX
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50143282
PNG
((-)-cytisine | (1R,5S)-1,2,3,4,5,6-Hexahydro-1,5-m...)
Show SMILES O=c1cccc2[C@H]3CNC[C@H](C3)Cn12
Show InChI InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8?,9-/m1/s1
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8.00E+3n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to rat alpha7 nAChR


J Med Chem 55: 9929-45 (2012)


Article DOI: 10.1021/jm3011299
BindingDB Entry DOI: 10.7270/Q2474C0B
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50143282
PNG
((-)-cytisine | (1R,5S)-1,2,3,4,5,6-Hexahydro-1,5-m...)
Show SMILES O=c1cccc2[C@H]3CNC[C@H](C3)Cn12
Show InChI InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8?,9-/m1/s1
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n/an/an/an/a 7.10E+4n/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Effective concentration against Nicotinic acetylcholine receptor alpha 7 expressed in xenopus oocytes


J Med Chem 48: 4705-45 (2005)


Article DOI: 10.1021/jm040219e
BindingDB Entry DOI: 10.7270/Q29W0G79
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50143282
PNG
((-)-cytisine | (1R,5S)-1,2,3,4,5,6-Hexahydro-1,5-m...)
Show SMILES O=c1cccc2[C@H]3CNC[C@H](C3)Cn12
Show InChI InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8?,9-/m1/s1
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n/an/an/an/a 7.10E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for functional potencies and efficacies at human Nicotinic acetylcholine receptor alpha7


J Med Chem 40: 4169-94 (1998)


Article DOI: 10.1021/jm970377o
BindingDB Entry DOI: 10.7270/Q2QF8TH9
More data for this
Ligand-Target Pair