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Compile Data Set for Download or QSAR

Found 312 hits Enz. Inhib. hit(s) with Target = 'Acetylcholine receptor'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
n-AChR


(MOUSE)
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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PubMed
0.0100n/an/an/an/an/an/an/an/a



University of Colorado

Curated by PDSP Ki Database




J Pharmacol Exp Ther 285: 377-86 (1998)


BindingDB Entry DOI: 10.7270/Q20000MP
More data for this
Ligand-Target Pair
n-AChR


(MOUSE)
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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PubMed
0.0100n/an/an/an/an/an/an/an/a



University of Colorado

Curated by PDSP Ki Database




J Pharmacol Exp Ther 285: 377-86 (1998)


BindingDB Entry DOI: 10.7270/Q20000MP
More data for this
Ligand-Target Pair
n-AChR


(MOUSE)
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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0.0100n/an/an/an/an/an/an/an/a



University of Colorado

Curated by PDSP Ki Database




J Pharmacol Exp Ther 285: 377-86 (1998)


BindingDB Entry DOI: 10.7270/Q20000MP
More data for this
Ligand-Target Pair
n-AChR


(MOUSE)
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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0.0100n/an/an/an/an/an/an/an/a



University of Colorado

Curated by PDSP Ki Database




J Pharmacol Exp Ther 285: 377-86 (1998)


BindingDB Entry DOI: 10.7270/Q20000MP
More data for this
Ligand-Target Pair
n-AChR


(MOUSE)
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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0.0100n/an/an/an/an/an/an/an/a



University of Colorado

Curated by PDSP Ki Database




J Pharmacol Exp Ther 285: 377-86 (1998)


BindingDB Entry DOI: 10.7270/Q20000MP
More data for this
Ligand-Target Pair
n-AChR


(MOUSE)
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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0.0100n/an/an/an/an/an/an/an/a



University of Colorado

Curated by PDSP Ki Database




J Pharmacol Exp Ther 285: 377-86 (1998)


BindingDB Entry DOI: 10.7270/Q20000MP
More data for this
Ligand-Target Pair
n-AChR


(MOUSE)
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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0.0100n/an/an/an/an/an/an/an/a



University of Colorado

Curated by PDSP Ki Database




J Pharmacol Exp Ther 285: 377-86 (1998)


BindingDB Entry DOI: 10.7270/Q20000MP
More data for this
Ligand-Target Pair
n-AChR


(MOUSE)
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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0.0100n/an/an/an/an/an/an/an/a



University of Colorado

Curated by PDSP Ki Database




J Pharmacol Exp Ther 285: 377-86 (1998)


BindingDB Entry DOI: 10.7270/Q20000MP
More data for this
Ligand-Target Pair
n-AChR


(MOUSE)
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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0.0100n/an/an/an/an/an/an/an/a



University of Colorado

Curated by PDSP Ki Database




J Pharmacol Exp Ther 285: 377-86 (1998)


BindingDB Entry DOI: 10.7270/Q20000MP
More data for this
Ligand-Target Pair
n-AChR


(MOUSE)
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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0.0100n/an/an/an/an/an/an/an/a



University of Colorado

Curated by PDSP Ki Database




J Pharmacol Exp Ther 285: 377-86 (1998)


BindingDB Entry DOI: 10.7270/Q20000MP
More data for this
Ligand-Target Pair
n-AChR


(MOUSE)
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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0.0200n/an/an/an/an/an/an/an/a



University of Colorado

Curated by PDSP Ki Database




J Pharmacol Exp Ther 285: 377-86 (1998)


BindingDB Entry DOI: 10.7270/Q20000MP
More data for this
Ligand-Target Pair
Acetylcholine receptor subunit beta-like 2


(Drosophila melanogaster)
BDBM50487234
PNG
(CHEMBL1391421)
Show SMILES [O-][N+](=O)\C=C1/NCCN1Cc1ccc(Cl)nc1
Show InChI InChI=1S/C10H11ClN4O2/c11-9-2-1-8(5-13-9)6-14-4-3-12-10(14)7-15(16)17/h1-2,5,7,12H,3-4,6H2/b10-7+
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PubMed
0.120n/an/an/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Binding affinity to Drosophila brain nicotinic acetylcholine receptor assessed as [3H]IMI binding by radioligand binding assay


J Agric Food Chem 59: 2825-8 (2011)


Article DOI: 10.1021/jf1019455
BindingDB Entry DOI: 10.7270/Q2GF0XCJ
More data for this
Ligand-Target Pair
Acetylcholine receptor subunit beta-like 2


(Drosophila melanogaster)
BDBM50251868
PNG
((Z)-thiacloprid | CHEMBL451432 | {(2Z)-3-[(6-chlor...)
Show SMILES Clc1ccc(CN2CCS\C2=N/C#N)cn1
Show InChI InChI=1S/C10H9ClN4S/c11-9-2-1-8(5-13-9)6-15-3-4-16-10(15)14-7-12/h1-2,5H,3-4,6H2/b14-10-
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PubMed
1.20n/an/an/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Binding affinity to Drosophila brain nicotinic acetylcholine receptor assessed as [3H]IMI binding by radioligand binding assay


J Agric Food Chem 59: 2825-8 (2011)


Article DOI: 10.1021/jf1019455
BindingDB Entry DOI: 10.7270/Q2GF0XCJ
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha1Beta1DeltaGamma


(RAT)
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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2.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




Neuropharmacology 35: 725-34 (1996)


Article DOI: 10.1016/0028-3908(96)84644-2
BindingDB Entry DOI: 10.7270/Q237777N
More data for this
Ligand-Target Pair
Acetylcholine receptor protein alpha/beta/delta/gamma chain


(Torpedo californica)
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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PubMed
2.70n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency for Nicotinic acetylcholine receptor alpha-7 (rat brain)


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
Acetylcholine receptor subunit beta-like 2


(Drosophila melanogaster)
BDBM50212288
PNG
((2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimida...)
Show SMILES [O-][N+](=O)NC1=NCCN1Cc1ccc(Cl)nc1
Show InChI InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)
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3n/an/an/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Binding affinity to Drosophila brain nicotinic acetylcholine receptor assessed as [3H]IMI binding by radioligand binding assay


J Agric Food Chem 59: 2825-8 (2011)


Article DOI: 10.1021/jf1019455
BindingDB Entry DOI: 10.7270/Q2GF0XCJ
More data for this
Ligand-Target Pair
n-AChR


(MOUSE)
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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3.10n/an/an/an/an/an/an/an/a



University of Colorado

Curated by PDSP Ki Database




J Pharmacol Exp Ther 285: 377-86 (1998)


BindingDB Entry DOI: 10.7270/Q20000MP
More data for this
Ligand-Target Pair
n-AChR


(MOUSE)
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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4.70n/an/an/an/an/an/an/an/a



University of Colorado

Curated by PDSP Ki Database




J Pharmacol Exp Ther 285: 377-86 (1998)


BindingDB Entry DOI: 10.7270/Q20000MP
More data for this
Ligand-Target Pair
n-AChR


(MOUSE)
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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5.30n/an/an/an/an/an/an/an/a



University of Colorado

Curated by PDSP Ki Database




J Pharmacol Exp Ther 285: 377-86 (1998)


BindingDB Entry DOI: 10.7270/Q20000MP
More data for this
Ligand-Target Pair
n-AChR


(MOUSE)
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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5.40n/an/an/an/an/an/an/an/a



University of Colorado

Curated by PDSP Ki Database




J Pharmacol Exp Ther 285: 377-86 (1998)


BindingDB Entry DOI: 10.7270/Q20000MP
More data for this
Ligand-Target Pair
n-AChR


(MOUSE)
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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5.70n/an/an/an/an/an/an/an/a



University of Colorado

Curated by PDSP Ki Database




J Pharmacol Exp Ther 285: 377-86 (1998)


BindingDB Entry DOI: 10.7270/Q20000MP
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha1Beta1DeltaGamma


(RAT)
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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PubMed
5.70n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




Neuropharmacology 35: 725-34 (1996)


Article DOI: 10.1016/0028-3908(96)84644-2
BindingDB Entry DOI: 10.7270/Q237777N
More data for this
Ligand-Target Pair
n-AChR


(MOUSE)
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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5.80n/an/an/an/an/an/an/an/a



University of Colorado

Curated by PDSP Ki Database




J Pharmacol Exp Ther 285: 377-86 (1998)


BindingDB Entry DOI: 10.7270/Q20000MP
More data for this
Ligand-Target Pair
n-AChR


(MOUSE)
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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PubMed
5.90n/an/an/an/an/an/an/an/a



University of Colorado

Curated by PDSP Ki Database




J Pharmacol Exp Ther 285: 377-86 (1998)


BindingDB Entry DOI: 10.7270/Q20000MP
More data for this
Ligand-Target Pair
n-AChR


(MOUSE)
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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6.10n/an/an/an/an/an/an/an/a



University of Colorado

Curated by PDSP Ki Database




J Pharmacol Exp Ther 285: 377-86 (1998)


BindingDB Entry DOI: 10.7270/Q20000MP
More data for this
Ligand-Target Pair
n-AChR


(MOUSE)
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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6.5n/an/an/an/an/an/an/an/a



University of Colorado

Curated by PDSP Ki Database




J Pharmacol Exp Ther 285: 377-86 (1998)


BindingDB Entry DOI: 10.7270/Q20000MP
More data for this
Ligand-Target Pair
n-AChR


(MOUSE)
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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6.5n/an/an/an/an/an/an/an/a



University of Colorado

Curated by PDSP Ki Database




J Pharmacol Exp Ther 285: 377-86 (1998)


BindingDB Entry DOI: 10.7270/Q20000MP
More data for this
Ligand-Target Pair
n-AChR


(MOUSE)
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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6.80n/an/an/an/an/an/an/an/a



University of Colorado

Curated by PDSP Ki Database




J Pharmacol Exp Ther 285: 377-86 (1998)


BindingDB Entry DOI: 10.7270/Q20000MP
More data for this
Ligand-Target Pair
Acetylcholine receptor subunit beta-like 2


(Drosophila melanogaster)
BDBM50486223
PNG
(ACETAMIPRID | CHEBI:39164 | acetamiprid)
Show SMILES CN(Cc1ccc(Cl)nc1)C(\C)=N\C#N
Show InChI InChI=1S/C10H11ClN4/c1-8(14-7-12)15(2)6-9-3-4-10(11)13-5-9/h3-5H,6H2,1-2H3/b14-8+
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7.20n/an/an/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Binding affinity to Drosophila brain nicotinic acetylcholine receptor assessed as [3H]IMI binding by radioligand binding assay


J Agric Food Chem 59: 2825-8 (2011)


Article DOI: 10.1021/jf1019455
BindingDB Entry DOI: 10.7270/Q2GF0XCJ
More data for this
Ligand-Target Pair
n-AChR


(MOUSE)
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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11.4n/an/an/an/an/an/an/an/a



University of Colorado

Curated by PDSP Ki Database




J Pharmacol Exp Ther 285: 377-86 (1998)


BindingDB Entry DOI: 10.7270/Q20000MP
More data for this
Ligand-Target Pair
Acetylcholine receptor protein alpha/beta/delta/gamma chain


(Torpedo californica)
BDBM50038413
PNG
(CHEMBL136284 | N,N'-(2,3-dihydroxylbenzyl)-N,N,N',...)
Show SMILES C[N+](C)(CCCCCC[N+](C)(C)Cc1cccc(O)c1O)Cc1cccc(O)c1O
Show InChI InChI=1S/C24H36N2O4/c1-25(2,17-19-11-9-13-21(27)23(19)29)15-7-5-6-8-16-26(3,4)18-20-12-10-14-22(28)24(20)30/h9-14H,5-8,15-18H2,1-4H3,(H2-2,27,28,29,30)/p+2
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18n/an/an/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic acetylcholine receptor (nAChR)


J Med Chem 37: 4417-20 (1995)

Checked by Author
Article DOI: 10.1021/jm00051a021
BindingDB Entry DOI: 10.7270/Q24F1PS9
More data for this
Ligand-Target Pair
Acetylcholine receptor


(Torpedo californica)
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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100n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity against Nicotinic acetylcholine receptor (nAchR)


J Med Chem 42: 1481-500 (1999)


Article DOI: 10.1021/jm9805034
BindingDB Entry DOI: 10.7270/Q2HX1DCV
More data for this
Ligand-Target Pair
Acetylcholine receptor subunit beta-like 2


(Drosophila melanogaster)
BDBM50472282
PNG
(DESCYANOTHIACLOPRID | descyanothiacloprid)
Show SMILES Clc1ccc(CN2CCSC2=N)cn1
Show InChI InChI=1S/C9H10ClN3S/c10-8-2-1-7(5-12-8)6-13-3-4-14-9(13)11/h1-2,5,11H,3-4,6H2
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130n/an/an/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Binding affinity to Drosophila brain nicotinic acetylcholine receptor assessed as [3H]IMI binding by radioligand binding assay


J Agric Food Chem 59: 2825-8 (2011)


Article DOI: 10.1021/jf1019455
BindingDB Entry DOI: 10.7270/Q2GF0XCJ
More data for this
Ligand-Target Pair
Acetylcholine receptor protein alpha/beta/delta/gamma chain


(Torpedo californica)
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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250n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of [125I]alpha-bungarotoxin binding to nicotinic acetylcholine receptor alpha1 beta gamma delta of electroplax


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
Acetylcholine receptor subunit beta-like 2


(Drosophila melanogaster)
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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290n/an/an/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Binding affinity to Drosophila brain nicotinic acetylcholine receptor assessed as [3H]IMI binding by radioligand binding assay


J Agric Food Chem 59: 2825-8 (2011)


Article DOI: 10.1021/jf1019455
BindingDB Entry DOI: 10.7270/Q2GF0XCJ
More data for this
Ligand-Target Pair
Acetylcholine receptor protein alpha/beta/delta/gamma chain


(Torpedo californica)
BDBM50061562
PNG
((12R,13aR)-12-Methoxy-1,4,5,6,9,11,12,13-octahydro...)
Show SMILES CO[C@@H]1CC=C2CCN3CCC4=C(CC(=O)OC4)[C@@]23C1
Show InChI InChI=1S/C16H21NO3/c1-19-13-3-2-12-5-7-17-6-4-11-10-20-15(18)8-14(11)16(12,17)9-13/h2,13H,3-10H2,1H3/t13-,16-/m1/s1
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314n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Affinity for Nicotinic acetylcholine receptor alpha4-beta2 in rat brain


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
Acetylcholine receptor


(Torpedo californica)
BDBM50049750
PNG
((S)-3-(azetidin-2-ylmethoxy)pyridine | 3-((S)-1-Az...)
Show SMILES C(Oc1cccnc1)[C@@H]1CCN1
Show InChI InChI=1S/C9H12N2O/c1-2-9(6-10-4-1)12-7-8-3-5-11-8/h1-2,4,6,8,11H,3,5,7H2/t8-/m0/s1
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314n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [125 I]alpha-bungarotoxin (alpha-BgT) from torpedo alpha1-beta1-gamma1 electroplax


J Med Chem 41: 407-12 (1998)


Article DOI: 10.1021/jm9706224
BindingDB Entry DOI: 10.7270/Q2CJ8F56
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha1Beta1DeltaGamma


(RAT)
BDBM50049750
PNG
((S)-3-(azetidin-2-ylmethoxy)pyridine | 3-((S)-1-Az...)
Show SMILES C(Oc1cccnc1)[C@@H]1CCN1
Show InChI InChI=1S/C9H12N2O/c1-2-9(6-10-4-1)12-7-8-3-5-11-8/h1-2,4,6,8,11H,3,5,7H2/t8-/m0/s1
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314n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




Neuropharmacology 35: 725-34 (1996)


Article DOI: 10.1016/0028-3908(96)84644-2
BindingDB Entry DOI: 10.7270/Q237777N
More data for this
Ligand-Target Pair
Acetylcholine receptor protein alpha/beta/delta/gamma chain


(Torpedo californica)
BDBM50220046
PNG
(CHEMBL382243 | trimethyl({20-[(trimethylazaniumyl)...)
Show SMILES C[N+](C)(C)Cc1c2Cn3c(Cn2c2ccccc12)c(C[N+](C)(C)C)c1ccccc31
Show InChI InChI=1S/C26H34N4/c1-29(2,3)17-21-19-11-7-9-13-23(19)27-16-26-22(18-30(4,5)6)20-12-8-10-14-24(20)28(26)15-25(21)27/h7-14H,15-18H2,1-6H3/q+2
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331n/an/an/an/an/an/an/an/a



University of W£rzburg

Curated by ChEMBL


Assay Description
Displacement of (+/-)-[3H]epibatidine from muscle type nAChR of Torpedo californica in hepes buffer


Bioorg Med Chem Lett 16: 1481-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.030
BindingDB Entry DOI: 10.7270/Q2D50QQ5
More data for this
Ligand-Target Pair
n-AChR


(MOUSE)
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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333n/an/an/an/an/an/an/an/a



University of Colorado

Curated by PDSP Ki Database




J Pharmacol Exp Ther 285: 377-86 (1998)


BindingDB Entry DOI: 10.7270/Q20000MP
More data for this
Ligand-Target Pair
Acetylcholine receptor protein alpha/beta/delta/gamma chain


(Torpedo californica)
BDBM50166909
PNG
(10-Aza-tricyclo[6.3.1.0*2,7*]dodeca-2(7),3,5-trien...)
Show SMILES C1C2CNCC1c1ccccc21
Show InChI InChI=1S/C11H13N/c1-2-4-11-9-5-8(6-12-7-9)10(11)3-1/h1-4,8-9,12H,5-7H2
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370n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of [125I]alpha-bungarotoxin binding to nicotinic acetylcholine receptor alpha1 beta gamma delta of electroplax


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
Acetylcholine receptor


(Torpedo californica)
BDBM50049753
PNG
(3-((R)-1-Azetidin-2-ylmethoxy)-pyridine | 3-((S)-1...)
Show SMILES C(Oc1cccnc1)[C@H]1CCN1
Show InChI InChI=1S/C9H12N2O/c1-2-9(6-10-4-1)12-7-8-3-5-11-8/h1-2,4,6,8,11H,3,5,7H2/t8-/m1/s1
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384n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [125 I]alpha-bungarotoxin (alpha-BgT) from torpedo alpha1-beta1-gamma1 electroplax


J Med Chem 41: 407-12 (1998)


Article DOI: 10.1021/jm9706224
BindingDB Entry DOI: 10.7270/Q2CJ8F56
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha1Beta1DeltaGamma


(RAT)
BDBM50049750
PNG
((S)-3-(azetidin-2-ylmethoxy)pyridine | 3-((S)-1-Az...)
Show SMILES C(Oc1cccnc1)[C@@H]1CCN1
Show InChI InChI=1S/C9H12N2O/c1-2-9(6-10-4-1)12-7-8-3-5-11-8/h1-2,4,6,8,11H,3,5,7H2/t8-/m0/s1
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384n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




Neuropharmacology 35: 725-34 (1996)


Article DOI: 10.1016/0028-3908(96)84644-2
BindingDB Entry DOI: 10.7270/Q237777N
More data for this
Ligand-Target Pair
n-AChR


(MOUSE)
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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483n/an/an/an/an/an/an/an/a



University of Colorado

Curated by PDSP Ki Database




J Pharmacol Exp Ther 285: 377-86 (1998)


BindingDB Entry DOI: 10.7270/Q20000MP
More data for this
Ligand-Target Pair
n-AChR


(MOUSE)
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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505n/an/an/an/an/an/an/an/a



University of Colorado

Curated by PDSP Ki Database




J Pharmacol Exp Ther 285: 377-86 (1998)


BindingDB Entry DOI: 10.7270/Q20000MP
More data for this
Ligand-Target Pair
n-AChR


(MOUSE)
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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522n/an/an/an/an/an/an/an/a



University of Colorado

Curated by PDSP Ki Database




J Pharmacol Exp Ther 285: 377-86 (1998)


BindingDB Entry DOI: 10.7270/Q20000MP
More data for this
Ligand-Target Pair
n-AChR


(MOUSE)
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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530n/an/an/an/an/an/an/an/a



University of Colorado

Curated by PDSP Ki Database




J Pharmacol Exp Ther 285: 377-86 (1998)


BindingDB Entry DOI: 10.7270/Q20000MP
More data for this
Ligand-Target Pair
Acetylcholine receptor protein alpha/beta/delta/gamma chain


(Torpedo californica)
BDBM50220045
PNG
(CHEMBL206666 | [(20-{[dimethyl(prop-2-en-1-yl)azan...)
Show SMILES C[N+](C)(CC=C)Cc1c2Cn3c(Cn2c2ccccc12)c(C[N+](C)(C)CC=C)c1ccccc31
Show InChI InChI=1S/C30H38N4/c1-7-17-33(3,4)21-25-23-13-9-11-15-27(23)31-20-30-26(22-34(5,6)18-8-2)24-14-10-12-16-28(24)32(30)19-29(25)31/h7-16H,1-2,17-22H2,3-6H3/q+2
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Article
PubMed
550n/an/an/an/an/an/an/an/a



University of W£rzburg

Curated by ChEMBL


Assay Description
Displacement of (+/-)-[3H]epibatidine from muscle type nAChR of Torpedo californica in hepes buffer


Bioorg Med Chem Lett 16: 1481-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.030
BindingDB Entry DOI: 10.7270/Q2D50QQ5
More data for this
Ligand-Target Pair
n-AChR


(MOUSE)
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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602n/an/an/an/an/an/an/an/a



University of Colorado

Curated by PDSP Ki Database




J Pharmacol Exp Ther 285: 377-86 (1998)


BindingDB Entry DOI: 10.7270/Q20000MP
More data for this
Ligand-Target Pair
n-AChR


(MOUSE)
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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CHEMBL
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PubMed
657n/an/an/an/an/an/an/an/a



University of Colorado

Curated by PDSP Ki Database




J Pharmacol Exp Ther 285: 377-86 (1998)


BindingDB Entry DOI: 10.7270/Q20000MP
More data for this
Ligand-Target Pair
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