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Found 2161 hits Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor' AND taxid = 10116   
Target
(Institution)
LigandTarget
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


(Rattus norvegicus (Rat))
BDBM50143314
PNG
((+)-Epibatidine | (-)-epibatidine | (1R,2R,4S)-2-(...)
Show SMILES Clc1ccc(cn1)[C@H]1C[C@@H]2CC[C@H]1N2
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/t8-,9+,10+/m0/s1
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0.00600n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-iodo-MLA binding to Nicotinic acetylcholine receptor alpha-7 of rat cerebral cortex


J Med Chem 47: 4588-94 (2004)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (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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0.00800n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by PDSP Ki Database




Mol Pharmacol 57: 642-9 (2000)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM86812
PNG
(CAS_45263784 | NSC_45263784 | rac-2-(6-fluoro-5-(4...)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1cc(cnc1F)C1CC2CCC1N2
Show InChI InChI=1S/C17H16FN3O2/c18-17-15(10-1-4-13(5-2-10)21(22)23)7-11(9-19-17)14-8-12-3-6-16(14)20-12/h1-2,4-5,7,9,12,14,16,20H,3,6,8H2
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0.00900n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by PDSP Ki Database




Bioorg Med Chem 16: 746-54 (2008)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50066789
PNG
(3-((S)-1-Azetidin-2-ylmethoxy)-5-iodo-pyridine | A...)
Show SMILES Ic1cncc(OC[C@@H]2CCN2)c1
Show InChI InChI=1S/C9H11IN2O/c10-7-3-9(5-11-4-7)13-6-8-1-2-12-8/h3-5,8,12H,1-2,6H2/t8-/m0/s1
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0.0100n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by PDSP Ki Database




Mol Pharmacol 57: 642-9 (2000)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (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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0.0100n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by PDSP Ki Database




Mol Pharmacol 57: 642-9 (2000)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50263171
PNG
((+)-2-(6'-[18F]fluoro-3,3'-bipyridin-5-yl)-7-methy...)
Show SMILES CN1C2CCC1C(C2)c1cncc(c1)-c1ccc(F)nc1
Show InChI InChI=1S/C17H18FN3/c1-21-14-3-4-16(21)15(7-14)13-6-12(8-19-9-13)11-2-5-17(18)20-10-11/h2,5-6,8-10,14-16H,3-4,7H2,1H3
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0.0110n/an/an/an/an/an/an/an/a



The Johns Hopkins UniVersity School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK293 cells


J Med Chem 51: 4751-64 (2008)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50216315
PNG
((1R,4R)-2-(6-chloro-3-pyridinyl)-2,5-diazabicyclo[...)
Show SMILES Clc1ccc(cn1)N1CC2CC1CN2
Show InChI InChI=1S/C10H12ClN3/c11-10-2-1-8(4-13-10)14-6-7-3-9(14)5-12-7/h1-2,4,7,9,12H,3,5-6H2
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0.0180n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]cytosine form alpha4beta2 nAChR in rat striatum


Bioorg Med Chem Lett 18: 6147-50 (2008)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50263095
PNG
((+)-7-Methyl-2-exo-[3'-(2-fluoropyridin-4-yl)-5'-p...)
Show SMILES CN1[C@@H]2CC[C@@H]1[C@H](C2)c1cncc(c1)-c1ccnc(F)c1
Show InChI InChI=1S/C17H18FN3/c1-21-14-2-3-16(21)15(8-14)13-6-12(9-19-10-13)11-4-5-20-17(18)7-11/h4-7,9-10,14-16H,2-3,8H2,1H3/t14-,15-,16-/m1/s1
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0.0190n/an/an/an/an/an/an/an/a



The Johns Hopkins UniVersity School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK293 cells


J Med Chem 51: 4751-64 (2008)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50100717
PNG
(2-(pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane | 2-P...)
Show SMILES C1CC2NC1CC2c1cccnc1
Show InChI InChI=1S/C11H14N2/c1-2-8(7-12-5-1)10-6-9-3-4-11(10)13-9/h1-2,5,7,9-11,13H,3-4,6H2
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0.0200n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by PDSP Ki Database




Bioorg Med Chem 16: 746-54 (2008)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50100712
PNG
(2-(6-Iodo-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptan...)
Show SMILES Ic1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1S/C11H13IN2/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



National Institute on Drug Abuse

Curated by PDSP Ki Database




Mol Pharmacol 57: 642-9 (2000)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50364856
PNG
(CHEMBL1950167)
Show SMILES O=S1(=O)c2ccccc2-c2ccc(cc12)N1CCN2CCC1CC2
Show InChI InChI=1S/C19H20N2O2S/c22-24(23)18-4-2-1-3-16(18)17-6-5-15(13-19(17)24)21-12-11-20-9-7-14(21)8-10-20/h1-6,13-14H,7-12H2
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0.0230n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]methyllylcaconitine from alpha7 nAChR in rat brain


Bioorg Med Chem Lett 22: 1633-8 (2012)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50275878
PNG
(3-(6-chloropyridin-3-yl)-3,6-diazabicyclo[3.1.1]he...)
Show SMILES Clc1ccc(cn1)N1CC2CC(C1)N2
Show InChI InChI=1S/C10H12ClN3/c11-10-2-1-9(4-12-10)14-5-7-3-8(6-14)13-7/h1-2,4,7-8,13H,3,5-6H2
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0.0230n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine form alpha4beta2 nAChR in rat cortex


Bioorg Med Chem Lett 18: 6147-50 (2008)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (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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0.0260n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by PDSP Ki Database




Bioorg Med Chem 16: 746-54 (2008)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50295959
PNG
((S)-2-chloro-5-((1-methylpyrrolidin-2-yl)methoxy)-...)
Show SMILES CN1CCC[C@H]1COc1cnc(Cl)c(\C=C\c2ccncc2)c1
Show InChI InChI=1S/C18H20ClN3O/c1-22-10-2-3-16(22)13-23-17-11-15(18(19)21-12-17)5-4-14-6-8-20-9-7-14/h4-9,11-12,16H,2-3,10,13H2,1H3/b5-4+/t16-/m0/s1
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0.0280n/an/an/an/an/an/an/an/a



The Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]5-A-85380 from alpha4beta2 nicotinic receptor in rat brain


Bioorg Med Chem 17: 4367-77 (2009)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50295955
PNG
(5-(((S)-Pyrrolidin-2-yl)methoxy)-3-((6-chloropyrid...)
Show SMILES Clc1ccc(Oc2cc(OC[C@@H]3CCCN3)cnc2Cl)cn1
Show InChI InChI=1S/C15H15Cl2N3O2/c16-14-4-3-11(7-19-14)22-13-6-12(8-20-15(13)17)21-9-10-2-1-5-18-10/h3-4,6-8,10,18H,1-2,5,9H2/t10-/m0/s1
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0.0280n/an/an/an/an/an/an/an/a



The Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4beta2 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting


Bioorg Med Chem 17: 4367-77 (2009)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM86815
PNG
(CAS_45266019 | NSC_45266019 | rac-2-(6-fluoro-5-(4...)
Show SMILES Fc1ccc(cc1)-c1cc(cnc1F)C1CC2CCC1N2
Show InChI InChI=1S/C17H16F2N2/c18-12-3-1-10(2-4-12)15-7-11(9-20-17(15)19)14-8-13-5-6-16(14)21-13/h1-4,7,9,13-14,16,21H,5-6,8H2
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0.0290n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by PDSP Ki Database




Bioorg Med Chem 16: 746-54 (2008)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50062639
PNG
(5-((S)-1-Azetidin-2-ylmethoxy)-2-chloro-pyridine |...)
Show SMILES Clc1ccc(OC[C@@H]2CCN2)cn1
Show InChI InChI=1S/C9H11ClN2O/c10-9-2-1-8(5-12-9)13-6-7-3-4-11-7/h1-2,5,7,11H,3-4,6H2/t7-/m0/s1
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0.0300n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




Science 279: 77-81 (1998)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50279404
PNG
(CHEMBL447388 | cis-2-(5-Ethoxy-3-pyridinyl)octahyd...)
Show SMILES CCOc1cncc(c1)N1C[C@@H]2CNC[C@@H]2C1
Show InChI InChI=1S/C13H19N3O/c1-2-17-13-3-12(6-15-7-13)16-8-10-4-14-5-11(10)9-16/h3,6-7,10-11,14H,2,4-5,8-9H2,1H3/t10-,11+
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0.0350n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from alpha4beta2 nicotinic acetylcholine receptor in rat brain minus cerebellum membrane


J Med Chem 52: 4126-41 (2009)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (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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0.0350n/an/an/an/an/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotine from alpha4beta2 nAChR in rat cortical membrane


Bioorg Med Chem Lett 18: 4651-4 (2008)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50275880
PNG
(3-(6-bromopyridin-3-yl)-3,6-diazabicyclo[3.1.1]hep...)
Show SMILES Brc1ccc(cn1)N1CC2CC(C1)N2
Show InChI InChI=1S/C10H12BrN3/c11-10-2-1-9(4-12-10)14-5-7-3-8(6-14)13-7/h1-2,4,7-8,13H,3,5-6H2
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0.0390n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine form alpha4beta2 nAChR in rat cortex


Bioorg Med Chem Lett 18: 6147-50 (2008)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (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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0.0400n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




Science 279: 77-81 (1998)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50279405
PNG
(CHEMBL488772 | cis-3-(5-Propyloxy-3-pyridinyl)-3,7...)
Show SMILES CCCOc1cncc(c1)N1C[C@@H]2CNC[C@@H]2C1
Show InChI InChI=1S/C14H21N3O/c1-2-3-18-14-4-13(7-16-8-14)17-9-11-5-15-6-12(11)10-17/h4,7-8,11-12,15H,2-3,5-6,9-10H2,1H3/t11-,12+
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0.0410n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from alpha4beta2 nicotinic acetylcholine receptor in rat brain minus cerebellum membrane


J Med Chem 52: 4126-41 (2009)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM86816
PNG
(CAS_45263769 | NSC_45263769 | rac-2-(5-(4-chloroph...)
Show SMILES Fc1ncc(cc1-c1ccc(Cl)cc1)C1CC2CCC1N2
Show InChI InChI=1S/C17H16ClFN2/c18-12-3-1-10(2-4-12)15-7-11(9-20-17(15)19)14-8-13-5-6-16(14)21-13/h1-4,7,9,13-14,16,21H,5-6,8H2
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0.0440n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by PDSP Ki Database




Bioorg Med Chem 16: 746-54 (2008)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (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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0.0460n/an/an/an/an/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by PDSP Ki Database




Mol Pharmacol 64: 865-75 (2003)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (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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0.0470n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from alpha4beta2 nAChR in rat brain membrane


Bioorg Med Chem Lett 19: 1682-5 (2009)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (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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0.0470n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from alpha4beta2 nicotinic acetylcholine receptor in rat brain minus cerebellum membrane


J Med Chem 52: 4126-41 (2009)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50062641
PNG
(5-((R)-1-Azetidin-2-ylmethoxy)-2-chloro-pyridine |...)
Show SMILES Clc1ccc(OC[C@H]2CCN2)cn1
Show InChI InChI=1S/C9H11ClN2O/c10-9-2-1-8(5-12-9)13-6-7-3-4-11-7/h1-2,5,7,11H,3-4,6H2/t7-/m1/s1
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0.0480n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from alpha4beta2 nAChR in rat brain membrane


Bioorg Med Chem Lett 19: 1682-5 (2009)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50278878
PNG
(CHEMBL502567 | cis-3-(5-Isopropyloxy-3-pyridinyl)-...)
Show SMILES CC(C)Oc1cncc(c1)N1C[C@@H]2CNC[C@@H]2C1
Show InChI InChI=1S/C14H21N3O/c1-10(2)18-14-3-13(6-16-7-14)17-8-11-4-15-5-12(11)9-17/h3,6-7,10-12,15H,4-5,8-9H2,1-2H3/t11-,12+
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0.0510n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from alpha4beta2 nicotinic acetylcholine receptor in rat brain minus cerebellum membrane


J Med Chem 52: 4126-41 (2009)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM86810
PNG
(CAS_45266065 | NSC_45266065 | rac-2-(6-fluoro-5-(3...)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1cc(cnc1F)C1CC2CCC1N2
Show InChI InChI=1S/C17H16FN3O2/c18-17-15(10-2-1-3-13(6-10)21(22)23)7-11(9-19-17)14-8-12-4-5-16(14)20-12/h1-3,6-7,9,12,14,16,20H,4-5,8H2
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0.0530n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by PDSP Ki Database




Bioorg Med Chem 16: 746-54 (2008)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50295956
PNG
(2-Chloro-3-(2-chloro-5-(pyridinyl)methoxy)-5-((1-m...)
Show SMILES CN1CCC[C@H]1COc1cnc(Cl)c(OCc2ccc(Cl)nc2)c1
Show InChI InChI=1S/C17H19Cl2N3O2/c1-22-6-2-3-13(22)11-23-14-7-15(17(19)21-9-14)24-10-12-4-5-16(18)20-8-12/h4-5,7-9,13H,2-3,6,10-11H2,1H3/t13-/m0/s1
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0.0550n/an/an/an/an/an/an/an/a



The Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4beta2 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting


Bioorg Med Chem 17: 4367-77 (2009)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50275879
PNG
(3-(pyridin-3-yl)-3,6-diazabicyclo[3.1.1]heptane | ...)
Show SMILES C1C2CN(CC1N2)c1cccnc1
Show InChI InChI=1S/C10H13N3/c1-2-10(5-11-3-1)13-6-8-4-9(7-13)12-8/h1-3,5,8-9,12H,4,6-7H2
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0.0560n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine form alpha4beta2 nAChR in rat cortex


Bioorg Med Chem Lett 18: 6147-50 (2008)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50263130
PNG
((+)-7-Methyl-2-exo-[3'-(2-fluoropyridin-3-yl)-5'-p...)
Show SMILES CN1[C@@H]2CC[C@@H]1[C@H](C2)c1cncc(c1)-c1cccnc1F
Show InChI InChI=1S/C17H18FN3/c1-21-13-4-5-16(21)15(8-13)12-7-11(9-19-10-12)14-3-2-6-20-17(14)18/h2-3,6-7,9-10,13,15-16H,4-5,8H2,1H3/t13-,15-,16-/m1/s1
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0.0580n/an/an/an/an/an/an/an/a



The Johns Hopkins UniVersity School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK293 cells


J Med Chem 51: 4751-64 (2008)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50278877
PNG
(CHEMBL524911 | cis-2-(5-(Benzyloxy)pyridin-3-yl)oc...)
Show SMILES C(Oc1cncc(c1)N1C[C@@H]2CNC[C@@H]2C1)c1ccccc1
Show InChI InChI=1S/C18H21N3O/c1-2-4-14(5-3-1)13-22-18-6-17(9-20-10-18)21-11-15-7-19-8-16(15)12-21/h1-6,9-10,15-16,19H,7-8,11-13H2/t15-,16+
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0.0580n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from alpha4beta2 nicotinic acetylcholine receptor in rat brain minus cerebellum membrane


J Med Chem 52: 4126-41 (2009)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50066789
PNG
(3-((S)-1-Azetidin-2-ylmethoxy)-5-iodo-pyridine | A...)
Show SMILES Ic1cncc(OC[C@@H]2CCN2)c1
Show InChI InChI=1S/C9H11IN2O/c10-7-3-9(5-11-4-7)13-6-8-1-2-12-8/h3-5,8,12H,1-2,6H2/t8-/m0/s1
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0.0590n/an/an/an/an/an/an/an/a



Georgetown University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 98-107 (2004)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50279402
PNG
(CHEMBL486511 | cis-2-(5-Bromopyridin-3-yl)-octahyd...)
Show SMILES Brc1cncc(c1)N1C[C@@H]2CNC[C@@H]2C1
Show InChI InChI=1S/C11H14BrN3/c12-10-1-11(5-14-4-10)15-6-8-2-13-3-9(8)7-15/h1,4-5,8-9,13H,2-3,6-7H2/t8-,9+
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0.0600n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from alpha4beta2 nicotinic acetylcholine receptor in rat brain minus cerebellum membrane


J Med Chem 52: 4126-41 (2009)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (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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0.0610n/an/an/an/an/an/an/an/a



The Johns Hopkins UniVersity School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK293 cells


J Med Chem 51: 4751-64 (2008)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (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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0.0610n/an/an/an/an/an/an/an/a



The Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4beta2 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting


Bioorg Med Chem 17: 4367-77 (2009)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (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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0.0610n/an/an/an/an/an/an/an/a



Georgetown University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 98-107 (2004)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50295958
PNG
((S)-2-chloro-2'-fluoro-5-((1-methylpyrrolidin-2-yl...)
Show SMILES CN1CCC[C@H]1COc1cnc(Cl)c(c1)-c1ccnc(F)c1
Show InChI InChI=1S/C16H17ClFN3O/c1-21-6-2-3-12(21)10-22-13-8-14(16(17)20-9-13)11-4-5-19-15(18)7-11/h4-5,7-9,12H,2-3,6,10H2,1H3/t12-/m0/s1
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0.0620n/an/an/an/an/an/an/an/a



The Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4beta2 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting


Bioorg Med Chem 17: 4367-77 (2009)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50295954
PNG
(2-Chloro-3-(2-fluoro-4-(pyridinyl)methoxy)-5-((1-m...)
Show SMILES CN1CCC[C@H]1COc1cnc(Cl)c(OCc2ccnc(F)c2)c1
Show InChI InChI=1S/C17H19ClFN3O2/c1-22-6-2-3-13(22)11-23-14-8-15(17(18)21-9-14)24-10-12-4-5-20-16(19)7-12/h4-5,7-9,13H,2-3,6,10-11H2,1H3/t13-/m0/s1
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0.0620n/an/an/an/an/an/an/an/a



The Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4beta2 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting


Bioorg Med Chem 17: 4367-77 (2009)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50319933
PNG
((1S,4S)-2,2-dimethyl-5-(6-phenylpyridazin-3-yl)-5-...)
Show SMILES C[N+]1(C)C[C@@H]2C[C@H]1CN2c1ccc(nn1)-c1ccccc1
Show InChI InChI=1S/C17H21N4/c1-21(2)12-14-10-15(21)11-20(14)17-9-8-16(18-19-17)13-6-4-3-5-7-13/h3-9,14-15H,10-12H2,1-2H3/q+1/t14-,15-/m0/s1
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0.0660n/an/an/an/an/an/an/an/a



Abbott Park

Curated by ChEMBL


Assay Description
Displacement of [3H]A585539 from alpha7 nACHR in rat brain homogenate


Bioorg Med Chem Lett 20: 3636-9 (2010)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (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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0.0700n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 619-26 (2005)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (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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0.0720n/an/an/an/an/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by PDSP Ki Database




Mol Pharmacol 64: 865-75 (2003)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM86805
PNG
(CAS_45263788 | NSC_45263788 | US9150581, RTI-7527-...)
Show SMILES Fc1ncc(cc1-c1cccc(Cl)c1)C1CC2CCC1N2
Show InChI InChI=1S/C17H16ClFN2/c18-12-3-1-2-10(6-12)15-7-11(9-20-17(15)19)14-8-13-4-5-16(14)21-13/h1-3,6-7,9,13-14,16,21H,4-5,8H2
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0.0730n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by PDSP Ki Database




Bioorg Med Chem 16: 746-54 (2008)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50279403
PNG
(CHEMBL486512 | cis-2-(5-Methoxy-3-pyridinyl)octahy...)
Show SMILES COc1cncc(c1)N1C[C@@H]2CNC[C@@H]2C1
Show InChI InChI=1S/C12H17N3O/c1-16-12-2-11(5-14-6-12)15-7-9-3-13-4-10(9)8-15/h2,5-6,9-10,13H,3-4,7-8H2,1H3/t9-,10+
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0.0810n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from alpha4beta2 nicotinic acetylcholine receptor in rat brain minus cerebellum membrane


J Med Chem 52: 4126-41 (2009)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM86819
PNG
(CAS_45263772 | NSC_45263772 | rac-2-(6-fluoro-5-(3...)
Show SMILES Fc1cccc(c1)-c1cc(cnc1F)C1CC2CCC1N2
Show InChI InChI=1S/C17H16F2N2/c18-12-3-1-2-10(6-12)15-7-11(9-20-17(15)19)14-8-13-4-5-16(14)21-13/h1-3,6-7,9,13-14,16,21H,4-5,8H2
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0.0870n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by PDSP Ki Database




Bioorg Med Chem 16: 746-54 (2008)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50364875
PNG
(CHEMBL1950156)
Show SMILES CN1C[C@H]2CN(C[C@@H]12)c1ccc2-c3ccc(cc3C(=O)c2c1)N1C[C@@H]2CN(C)[C@@H]2C1
Show InChI InChI=1S/C25H28N4O/c1-26-9-15-11-28(13-23(15)26)17-3-5-19-20-6-4-18(8-22(20)25(30)21(19)7-17)29-12-16-10-27(2)24(16)14-29/h3-8,15-16,23-24H,9-14H2,1-2H3/t15-,16-,23+,24+/m0/s1
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0.0920n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]methyllylcaconitine from alpha7 nAChR in rat brain


Bioorg Med Chem Lett 22: 1633-8 (2012)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM86817
PNG
(CAS_45263779 | NSC_45263779 | rac-4-(5-(7-aza-bicy...)
Show SMILES Nc1ccc(cc1)-c1cc(cnc1F)C1CC2CCC1N2
Show InChI InChI=1S/C17H18FN3/c18-17-15(10-1-3-12(19)4-2-10)7-11(9-20-17)14-8-13-5-6-16(14)21-13/h1-4,7,9,13-14,16,21H,5-6,8,19H2
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0.0950n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by PDSP Ki Database




Bioorg Med Chem 16: 746-54 (2008)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM86807
PNG
(CAS_45263775 | NSC_45263775 | rac-3-(5-(7-aza-bicy...)
Show SMILES Nc1cccc(c1)-c1cc(cnc1F)C1CC2CCC1N2
Show InChI InChI=1S/C17H18FN3/c18-17-15(10-2-1-3-12(19)6-10)7-11(9-20-17)14-8-13-4-5-16(14)21-13/h1-3,6-7,9,13-14,16,21H,4-5,8,19H2
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0.100n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by PDSP Ki Database




Bioorg Med Chem 16: 746-54 (2008)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM165927
PNG
(US9067931, 75)
Show SMILES OC(=O)c1cccc(c1)-c1cccc2cc(sc12)C(=O)N[C@H]1CN2CCC1CC2
Show InChI InChI=1/C23H22N2O3S/c26-22(24-19-13-25-9-7-14(19)8-10-25)20-12-16-4-2-6-18(21(16)29-20)15-3-1-5-17(11-15)23(27)28/h1-6,11-12,14,19H,7-10,13H2,(H,24,26)(H,27,28)/t19-/s2
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US Patent
<0.100n/an/an/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
The [3H]-methyllycaconitine binding assay is a modification of the method described by Davies et al. in Neuropharmacol. 1999, 38, 679-690.Rat brain t...


US Patent US9067931 (2015)

More data for this
Ligand-Target Pair
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