BindingDB BDBM50049757 ()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane::(+)-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane::(+)-epibatidine::(-)-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane::(1R,2R,4S)-epibatidine::(2R)-2-(6-chloropyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane hydrochloride::(2R,4S)-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane::(2R,4S)-2-(6-Iodo-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane::(2R,4S)-2-(6-chloropyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane::(R)-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane::(R)-2-(6-Chloro-pyridin-3-yl)-7-methyl-7-aza-bicyclo[2.2.1]heptane::2-(6-Chloro-pyridin-3-yl)-5-methyl-7-aza-bicyclo[2.2.1]heptane::2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane::2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane (epibatidine)::2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane(+/-) epibatidine::2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane(Epibatidine)::2-(6-Chloro-pyridin-3-yl)-7-azonia-bicyclo[2.2.1]heptane::2-(6-chloropyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane::2-Pyridin-3-yl-7-aza-bicyclo[2.2.1]heptane::CHEMBL6623::EPIBATIDINE::Epibatidine, (+/-)::Epibatidine-(+)::Epibatidine-(-)::exo-2-(6-chloropyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane::rac-(2R)-2-(6-chloropyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane

BDBM50049757 ()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane::(+)-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane::(+)-epibatidine::(-)-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane::(1R,2R,4S)-epibatidine::(2R)-2-(6-chloropyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane hydrochloride::(2R,4S)-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane::(2R,4S)-2-(6-Iodo-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane::(2R,4S)-2-(6-chloropyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane::(R)-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane::(R)-2-(6-Chloro-pyridin-3-yl)-7-methyl-7-aza-bicyclo[2.2.1]heptane::2-(6-Chloro-pyridin-3-yl)-5-methyl-7-aza-bicyclo[2.2.1]heptane::2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane::2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane (epibatidine)::2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane(+/-) epibatidine::2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane(Epibatidine)::2-(6-Chloro-pyridin-3-yl)-7-azonia-bicyclo[2.2.1]heptane::2-(6-chloropyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane::2-Pyridin-3-yl-7-aza-bicyclo[2.2.1]heptane::CHEMBL6623::EPIBATIDINE::Epibatidine, (+/-)::Epibatidine-(+)::Epibatidine-(-)::exo-2-(6-chloropyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane::rac-(2R)-2-(6-chloropyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane

SMILES Clc1ccc(cn1)C1CC2CCC1N2

InChI Key InChIKey=NLPRAJRHRHZCQQ-UHFFFAOYSA-N

Data 200 KI 6 IC50 11 Kd 28 EC50

PDB links: 14 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50049757

Neuronal acetylcholine receptor subunit alpha-3(Rattus norvegicus (Rat))
The Johns Hopkins University School Of Medicine

Curated by ChEMBL

BDBM50049757(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)

Ki: 0.0350nMAssay Description:Displacement of [3H]epibatidine from rat alpha3beta2 nicotinic receptor expressed in human HEK293 cells by liquid scintillation countingMore data for this Ligand-Target Pair

PDB Reactome pathway
UniProtKB/SwissProt
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Neuronal acetylcholine receptor subunit alpha-3(Rattus norvegicus (Rat))
The Johns Hopkins University School Of Medicine

Curated by ChEMBL

BDBM50049757(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)

Ki: 0.0350nMAssay Description:Displacement of [3H]epibatidine from rat alpha3beta2 nAChR expressed in HEK293 cellsMore data for this Ligand-Target Pair

PDB Reactome pathway
UniProtKB/SwissProt
GoogleScholar

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Neuronal acetylcholine receptor subunit alpha-3(Rattus norvegicus (Rat))
The Johns Hopkins University School Of Medicine

Curated by ChEMBL

BDBM50049757(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)

Ki: 0.0350nMMore data for this Ligand-Target Pair

PDB Reactome pathway
UniProtKB/SwissProt
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Neuronal acetylcholine receptor subunit alpha-3(Rattus norvegicus (Rat))
The Johns Hopkins University School Of Medicine

Curated by ChEMBL

BDBM50049757(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)

Ki: 0.0400nMMore data for this Ligand-Target Pair

PDB Reactome pathway
UniProtKB/SwissProt
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Neuronal acetylcholine receptor subunit alpha-3(Rattus norvegicus (Rat))
The Johns Hopkins University School Of Medicine

Curated by ChEMBL

BDBM50049757(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)

Ki: 0.380nMMore data for this Ligand-Target Pair

PDB Reactome pathway
UniProtKB/SwissProt
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Neuronal acetylcholine receptor subunit alpha-3(Rattus norvegicus (Rat))
The Johns Hopkins University School Of Medicine

Curated by ChEMBL

BDBM50049757(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)

Ki: 0.460nMMore data for this Ligand-Target Pair

PDB Reactome pathway
UniProtKB/SwissProt
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Neuronal acetylcholine receptor subunit alpha-3(Rattus norvegicus (Rat))
The Johns Hopkins University School Of Medicine

Curated by ChEMBL

BDBM50049757(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)

Ki: 0.570nMMore data for this Ligand-Target Pair

PDB Reactome pathway
UniProtKB/SwissProt
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Neuronal acetylcholine receptor subunit alpha-3(Rattus norvegicus (Rat))
The Johns Hopkins University School Of Medicine

Curated by ChEMBL

BDBM50049757(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)

Ki: 0.570nMAssay Description:Displacement of [3H]epibatidine from rat alpha3beta4 nicotinic receptor expressed in human HEK293 cells by liquid scintillation countingMore data for this Ligand-Target Pair

PDB Reactome pathway
UniProtKB/SwissProt
GoogleScholar

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Neuronal acetylcholine receptor subunit alpha-3(Rattus norvegicus (Rat))
The Johns Hopkins University School Of Medicine

Curated by ChEMBL

BDBM50049757(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)

Ki: 0.570nMAssay Description:Displacement of [3H]epibatidine from rat alpha3beta4 nAChR expressed in HEK293 cellsMore data for this Ligand-Target Pair

PDB Reactome pathway
UniProtKB/SwissProt
GoogleScholar

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Neuronal acetylcholine receptor subunit alpha-3(Homo sapiens (Human))
Sibia Neurosciences

Curated by PDSP K_i Database

BDBM50049757(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)

Ki: 151nMMore data for this Ligand-Target Pair

PDB Reactome pathway
UniProtKB/SwissProt
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Neuronal acetylcholine receptor subunit alpha-3(Homo sapiens (Human))
Sibia Neurosciences

Curated by PDSP K_i Database

BDBM50049757(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)

EC50: 27nMAssay Description:Agonist activity at human recombinant alpha3beta4 nAChR expressed in human IMR32 cells assessed as calcium dynamics by FLIPR assayMore data for this Ligand-Target Pair

PDB Reactome pathway
UniProtKB/SwissProt
antibodypedia GoogleScholar

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Neuronal acetylcholine receptor subunit alpha-3(Homo sapiens (Human))
Sibia Neurosciences

Curated by PDSP K_i Database

BDBM50049757(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)

EC50: 7nMAssay Description:Functional activation of human sympathetic ganglionic type nAChRs in IMR-32 cells containing alpha-3 subtypeMore data for this Ligand-Target Pair

PDB Reactome pathway
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Filter my 245 hits

Targets 22▿
- Neuronal acetylcholine receptor subunit alpha-4/beta-2 48
- Acetylcholine receptor subunit alpha 38
- Neuronal acetylcholine receptor subunit alpha-4 26
- Neuronal acetylcholine receptor subunit alpha-7 25
- Neuronal acetylcholine receptor subunit alpha-3/beta-4 24
- Nicotinic acetylcholine receptor 15
- Neuronal acetylcholine receptor subunit alpha-3 12
- Neuronal acetylcholine receptor subunit alpha-3/beta-2 10
- Neuronal acetylcholine receptor subunit alpha-4/beta-4 10
- Neuronal acetylcholine receptor subunit alpha-2 9
- Neuronal acetylcholine receptor subunit alpha-2/beta-2 8
- Neuronal acetylcholine receptor subunit alpha-2/beta-4 6
- Acetylcholine receptor subunit alpha/beta/delta/gamma 3
- Acetylcholine receptor subunit beta-like 2 2
- Acetylcholine receptor subunit delta 2
- Neuronal acetylcholine receptor; alpha2/beta4 1
- Neuronal acetylcholine receptor subunit beta-4 1
- Neuronal acetylcholine receptor subunit alpha-9 1
- Acetylcholine-binding protein 1
- Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 1
- Neuronal acetylcholine receptor subunit alpha-5 1
- Soluble acetylcholine receptor 1
- ...
Publications 50▿
- J Pharmacol Exp Ther 285: 377-86 (1998) 35
- J Med Chem 46: 921-4 (2003) 12
- J Med Chem 40: 4169-94 (1998) 11
- Bioorg Med Chem Lett 14: 1889-96 (2004) 11
- Bioorg Med Chem Lett 14: 1845-8 (2004) 10
- Neuropharmacology 35: 725-34 (1996) 8
- Mol Pharmacol 64: 865-75 (2003) 7
- J Med Chem 49: 2673-6 (2006) 7
- J Pharmacol Exp Ther 310: 98-107 (2004) 7
- J Med Chem 51: 4751-64 (2008) 6
- Bioorg Med Chem 17: 4367-77 (2009) 6
- Bioorg Med Chem Lett 14: 1855-8 (2004) 6
- J Med Chem 48: 1721-4 (2005) 6
- Mol Pharmacol 48: 280-7 (1995) 6
- Bioorg Med Chem Lett 15: 4385-8 (2005) 6
- Mol Pharmacol 57: 642-9 (2000) 5
- J Nat Prod 81: 1029-1035 (2018) 5
- Bioorg Med Chem Lett 14: 271-3 (2003) 5
- Bioorg Med Chem 28: (2020) 4
- J Agric Food Chem 48: 6016-24 (2000) 4
- J Med Chem 53: 8187-91 (2010) 4
- J Agric Food Chem 59: 2825-8 (2011) 4
- J Med Chem 45: 3041-7 (2002) 4
- J Med Chem 48: 5123-30 (2005) 3
- J Med Chem 45: 1064-72 (2002) 3
- Bioorg Med Chem Lett 19: 1682-5 (2009) 3
- J Pharmacol Exp Ther 284: 777-89 (1998) 3
- J Pharmacol Exp Ther 312: 619-26 (2005) 3
- J Pharmacol Exp Ther 302: 687-95 (2002) 3
- Bioorg Med Chem Lett 15: 1221-4 (2005) 3
- J Med Chem 52: 4126-41 (2009) 2
- J Med Chem 48: 1221-8 (2005) 2
- Mol Pharmacol 54: 322-33 (1998) 2
- J Med Chem 42: 3066-74 (1999) 2
- Bioorg Med Chem Lett 15: 877-81 (2005) 2
- Mol Pharmacol 53: 950-62 (1998) 2
- Bioorg Med Chem Lett 13: 525-7 (2003) 2
- Science 279: 77-81 (1998) 2
- Eur J Med Chem 152: 401-416 (2018) 2
- J Med Chem 50: 5493-508 (2007) 1
- Bioorg Med Chem Lett 13: 733-5 (2003) 1
- J Pharmacol Exp Ther 276: 289-97 (1996) 1
- J Med Chem 41: 407-12 (1998) 1
- Bioorg Med Chem Lett 17: 6245-9 (2007) 1
- J Med Chem 47: 6691-701 (2004) 1
- J Med Chem 46: 2031-48 (2003) 1
- Bioorg Med Chem Lett 20: 104-7 (2010) 1
- J Med Chem 47: 2453-65 (2004) 1
- Bioorg Med Chem Lett 18: 4651-4 (2008) 1
- J Med Chem 45: 2841-9 (2002) 1
- ...
Institutions 31▿
- University of Colorado 35
- Abbott Laboratories 29
- University Of Illinois At Chicago 19
- Georgetown University 15
- Research Triangle Institute 13
- The Johns Hopkins University School Of Medicine 12
- Georgetown University Medical Center 12
- Georgetown University School Of Medicine 10
- University Of California 8
- The Danish University of Pharmaceutical Sciences 7
- National Institute On Drug Abuse 7
- Columbia University College Of Physicians And Surgeons 6
- Targacept 5
- University Of Wollongong 5
- Indiana State University 5
- Institut F£R Pharmazeutische Chemie Der Philipps-Universit£T Marburg 4
- University Of New Orleans 4
- Gifu University 4
- Sri International 4
- University Of Auckland 4
- Swiss Federal Institute Of Technology Zurich 3
- University of Kentucky 3
- National Institute Of Diabetes And Digestive And Kidney Diseases 3
- Sibia Neurosciences 3
- Istituto Di Chimica Biomolecolare 2
- University of Bath 2
- Indian Institute Of Technology 1
- Peking University 1
- Virginia Commonwealth University 1
- Università 1
- Neuroscience Research 1
- ...
Affinity: 0.0080 to 3.5E+3 nM▿
- Ki 200
- IC50 6
- Kd 11
- EC50 28
- Affinity ≤ nM
Xtal structures: 1
Docked structures: 0
Catalog Cmpds: 1