BindingDB BDBM10759 2-acetoxyethyl(trimethyl)ammonium;bromide::2-acetoxyethyl(trimethyl)ammonium;perchlorate::CHEMBL667::US10667515, Compound ACh::[2-(acetyloxy)ethyl]trimethylazanium::acetylcholine::acetylcholine chloride::cid_6060

BDBM10759 2-acetoxyethyl(trimethyl)ammonium;bromide::2-acetoxyethyl(trimethyl)ammonium;perchlorate::CHEMBL667::US10667515, Compound ACh::[2-(acetyloxy)ethyl]trimethylazanium::acetylcholine::acetylcholine chloride::cid_6060

SMILES CC(=O)OCC[N+](C)(C)C

InChI Key InChIKey=OIPILFWXSMYKGL-UHFFFAOYSA-N

Data 64 KI 12 IC50 4 Kd 76 EC50

PDB links: 22 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 10759

Muscarinic acetylcholine receptor M2(Human)
University of Camerino

Curated by ChEMBL

PNG

BDBM10759(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)

Ki: 158nMAssay Description:Displacement of [3H]NMS from human cloned muscarinic M2 receptor expressed in CHO cellsChecked by AuthorMore data for this Ligand-Target Pair

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3D Structure (crystal)

Muscarinic acetylcholine receptor M2(Human)
University of Camerino

Curated by ChEMBL

PNG

BDBM10759(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)

Ki: 340nMMore data for this Ligand-Target Pair

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3D Structure (crystal)

Muscarinic acetylcholine receptor M2(Human)
University of Camerino

Curated by ChEMBL

PNG

BDBM10759(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)

Ki: 347nMMore data for this Ligand-Target Pair

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3D Structure (crystal)

Muscarinic acetylcholine receptor M2(Human)
University of Camerino

Curated by ChEMBL

PNG

BDBM10759(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)

Ki: 380nMAssay Description:Displacement of [3H]N-methyl-scopolamine from human recombinant muscarinic M2 receptor expressed in CHO-FlpIn cells after 6 hrs by liquid scintillati...More data for this Ligand-Target Pair

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3D Structure (crystal)

Muscarinic acetylcholine receptor M2(Human)
University of Camerino

Curated by ChEMBL

PNG

BDBM10759(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)

Ki: 380nMAssay Description:Displacement of [3H]N-methyl-scopolamine from human recombinant muscarinic M2 receptor expressed in CHO-FlpIn cells after 6 hrs by liquid scintillati...More data for this Ligand-Target Pair

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3D Structure (crystal)

Muscarinic acetylcholine receptor M2(Human)
University of Camerino

Curated by ChEMBL

PNG

BDBM10759(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)

Ki: 390nMAssay Description:Displacement of [3H]N-methyl-scopolamine bromide from human recombinant muscarinic M2 receptor expressed in HEK293T cell membranes after 1 hr by liqu...More data for this Ligand-Target Pair

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3D Structure (crystal)

Muscarinic acetylcholine receptor M2(Rat)
University of Arizona

Curated by PDSP K_i Database

PNG

BDBM10759(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)

Ki: 430nMMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
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3D Structure (crystal)

Muscarinic acetylcholine receptor M2(Rat)
University of Arizona

Curated by PDSP K_i Database

PNG

BDBM10759(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)

Ki: 700nMMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
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3D Structure (crystal)

Muscarinic acetylcholine receptor M2(Rat)
University of Arizona

Curated by PDSP K_i Database

PNG

BDBM10759(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)

Ki: 2.00E+3nMMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
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3D Structure (crystal)

Muscarinic acetylcholine receptor M2(Rat)
University of Arizona

Curated by PDSP K_i Database

PNG

BDBM10759(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)

Ki: >1.00E+4nMMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
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3D Structure (crystal)

Muscarinic acetylcholine receptor M2(Human)
University of Camerino

Curated by ChEMBL

PNG

BDBM10759(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)

EC50: 7nMAssay Description:Agonist activity at human muscarinic M2 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assayMore data for this Ligand-Target Pair

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3D Structure (crystal)

Muscarinic acetylcholine receptor M2(Human)
University of Camerino

Curated by ChEMBL

PNG

BDBM10759(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)

EC50: 220nMAssay Description:Agonist activity at human muscarinic M2 receptor expressed in CHO-K1 cells assessed as calcium mobilization for 6 mins by Calcium4-based stainingMore data for this Ligand-Target Pair

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3D Structure (crystal)

Muscarinic acetylcholine receptor M2(Human)
University of Camerino

Curated by ChEMBL

PNG

BDBM10759(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)

EC50: 220nMAssay Description:Agonist activity at human muscarinic M2 receptor expressed in CHO-K1 cells coexpressing Galpha16 subunit assessed as increase of acetylcholine-induce...More data for this Ligand-Target Pair

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3D Structure (crystal)

Muscarinic acetylcholine receptor M2(Human)
University of Camerino

Curated by ChEMBL

PNG

BDBM10759(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)

EC50: 513nMAssay Description:Agonist activity at Gi/o protein-coupled recombinant human muscarinic M2 receptor expressed in CHO-FlpIn cells preincubated for 60 mins followed by [...More data for this Ligand-Target Pair

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3D Structure (crystal)

Muscarinic acetylcholine receptor M2(Human)
University of Camerino

Curated by ChEMBL

PNG

BDBM10759(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)

EC50: 510nMAssay Description:Agonist activity at Gi/o protein-coupled recombinant human muscarinic M2 receptor expressed in CHO-FlpIn cells preincubated for 60 mins followed by [...More data for this Ligand-Target Pair

PDB Reactome pathway
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3D Structure (crystal)

Muscarinic acetylcholine receptor M2(Human)
University of Camerino

Curated by ChEMBL

PNG

BDBM10759(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)

EC50: 49nMAssay Description:Agonist activity at recombinant human muscarinic M2 receptor expressed in HEK293 cells assessed as inhibition of forskolin-mediated cAMP accumulation...More data for this Ligand-Target Pair

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3D Structure (crystal)

Muscarinic acetylcholine receptor M2(Human)
University of Camerino

Curated by ChEMBL

PNG

BDBM10759(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)

EC50: 49nMAssay Description:Agonist activity at recombinant human muscarinic M2 receptor expressed in HEK293 cells assessed as inhibition of forskolin-mediated cAMP accumulation...More data for this Ligand-Target Pair

PDB Reactome pathway
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3D Structure (crystal)

Muscarinic acetylcholine receptor M2(Human)
University of Camerino

Curated by ChEMBL

PNG

BDBM10759(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)

EC50: 1.91E+3nMAssay Description:Agonist activity at recombinant human muscarinic M2 receptor expressed in HEK293 cells co-expressing beta-arrestin assessed as increase in beta-arres...More data for this Ligand-Target Pair

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3D Structure (crystal)

Muscarinic acetylcholine receptor M2(Human)
University of Camerino

Curated by ChEMBL

PNG

BDBM10759(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)

EC50: 1.90E+3nMAssay Description:Agonist activity at recombinant human muscarinic M2 receptor expressed in HEK293 cells co-expressing beta-arrestin assessed as increase in beta-arres...More data for this Ligand-Target Pair

PDB Reactome pathway
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3D Structure (crystal)

Muscarinic acetylcholine receptor M2(Human)
University of Camerino

Curated by ChEMBL

PNG

BDBM10759(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)

EC50: 13nMAssay Description:Agonist activity at recombinant human muscarinic M2 receptor expressed in CHO cells assessed as upregulation in ERK1/2 phosphorylation after 5 mins b...More data for this Ligand-Target Pair

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3D Structure (crystal)

Muscarinic acetylcholine receptor M2(Human)
University of Camerino

Curated by ChEMBL

PNG

BDBM10759(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)

EC50: 13nMAssay Description:Agonist activity at recombinant human muscarinic M2 receptor expressed in CHO cells assessed as upregulation in ERK1/2 phosphorylation after 5 mins b...More data for this Ligand-Target Pair

PDB Reactome pathway
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3D Structure (crystal)

Muscarinic acetylcholine receptor M2(Human)
University of Camerino

Curated by ChEMBL

PNG

BDBM10759(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)

EC50: 56nMAssay Description:Agonist activity at human recombinant muscarinic M2 receptor co-expressed with Galphaqi5-HA in African green monkey COS7 cells assessed as IP accumul...More data for this Ligand-Target Pair

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3D Structure (crystal)

Filter my 156 hits

Targets 29▿
- Muscarinic acetylcholine receptor M2 22
- Muscarinic acetylcholine receptor M1 20
- Neuronal acetylcholine receptor subunit alpha-7 18
- Muscarinic acetylcholine receptor M3 14
- Neuronal acetylcholine receptor subunit alpha-4/beta-2 12
- Neuronal acetylcholine receptor subunit alpha-4 9
- Neuronal acetylcholine receptor subunit alpha-3 7
- Muscarinic acetylcholine receptor M5 7
- Muscarinic acetylcholine receptor M4 7
- Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 6
- Neuronal acetylcholine receptor subunit alpha-3/beta-4 4
- Nicotinic acetylcholine receptor 4
- Acetylcholine-binding protein 4
- Neuronal acetylcholine receptor subunit alpha-2 4
- Neuronal acetylcholine receptor subunit alpha-3/beta-2 2
- Galanin receptor type 3 2
- Neuronal acetylcholine receptor subunit alpha-4/beta-4 2
- Resistance to inhibitors of cholinesterase protein 3 1
- Cholinergic receptor nicotinic alpha 6 subunit 1
- Cannabinoid receptor 1 1
- Beta-arrestin-1 1
- Acetylcholine receptor subunit delta 1
- Neuronal acetylcholine receptor subunit alpha-2/beta-2 1
- G protein-activated inward rectifier potassium channel 1 1
- Tropomyosin alpha-1 chain 1
- Neuropeptide Y receptor type 1 1
- Neuropeptide Y receptor type 2 1
- Uncharacterized protein 1
- Bile salt export pump 1
- ...
Publications 50▿
- J Med Chem 60: 9239-9250 (2017) 26
- Mol Pharmacol 64: 865-75 (2003) 7
- J Pharmacol Exp Ther 310: 98-107 (2004) 7
- J Pharmacol Exp Ther 303: 29-35 (2002) 5
- Bioorg Med Chem Lett 25: 4158-63 (2015) 5
- Bioorg Med Chem Lett 22: 5134-40 (2012) 5
- Bioorg Med Chem Lett 18: 614-8 (2008) 5
- J Med Chem 53: 6386-97 (2010) 5
- Bioorg Med Chem Lett 14: 1845-8 (2004) 5
- J Med Chem 58: 6665-77 (2015) 4
- J Med Chem 40: 4169-94 (1998) 4
- J Med Chem 58: 560-76 (2015) 4
- J Med Chem 51: 7380-95 (2009) 4
- Bioorg Med Chem Lett 14: 1889-96 (2004) 3
- Bioorg Med Chem 19: 1048-54 (2011) 3
- Mol Pharmacol 54: 322-33 (1998) 2
- J Med Chem 50: 4616-29 (2007) 2
- J Pharmacol Exp Ther 284: 500-7 (1998) 2
- Mol Pharmacol 63: 1329-37 (2003) 2
- J Med Chem 56: 940-51 (2013) 2
- J Med Chem 55: 9929-45 (2012) 2
- ACS Med Chem Lett 1: 422-426 (2010) 2
- J Med Chem 35: 2392-406 (1992) 2
- PubChem Bioassay (2013) 2
- J Nat Prod 81: 1029-1035 (2018) 2
- Bioorg Med Chem Lett 25: 3184-8 (2015) 2
- J Med Chem 48: 5123-30 (2005) 2
- J Med Chem 35: 1280-90 (1992) 2
- ACS Med Chem Lett 10: 941-948 (2019) 2
- J Med Chem 34: 2726-35 (1991) 2
- Mol Pharmacol 53: 950-62 (1998) 2
- J Med Chem 48: 4705-45 (2005) 2
- Biochemistry 49: 8143-54 (2010) 2
- J Med Chem 44: 4563-76 (2001) 2
- Bioorg Med Chem 19: 6107-19 (2011) 2
- Bioorg Med Chem Lett 25: 1546-51 (2015) 1
- Mol Pharmacol 57: 642-9 (2000) 1
- Bioorg Med Chem Lett 11: 319-21 (2001) 1
- PubChem Bioassay (2011) 1
- J Pharmacol Exp Ther 276: 289-97 (1996) 1
- Eur J Med Chem 95: 277-301 (2015) 1
- J Pharmacol Exp Ther 240: 51-8 (1987) 1
- US Patent US10667515 (2020) 1
- Bioorg Med Chem Lett 19: 87-91 (2008) 1
- Brain Res 753: 219-24 (1997) 1
- Drug Metab Dispos 40: 2332-41 (2012) 1
- J Med Chem 62: 3009-3020 (2019) 1
- J Pharmacol Exp Ther 256: 689-94 (1991) 1
- Bioorg Med Chem 20: 5992-6002 (2012) 1
- J Med Chem 52: 2372-83 (2009) 1
- ...
Institutions 37▿
- University of California 26
- H. Lundbeck 10
- The Danish University of Pharmaceutical Sciences 9
- Georgetown University 9
- University of Copenhagen 8
- Smithkline Beecham Pharmaceuticals 6
- University of Milan 6
- Abbott Laboratories 5
- Eli Lilly 5
- University of Arkansas 5
- University of Camerino 5
- Georgetown University School of Medicine 5
- University of W£Rzburg 4
- University of Arizona 4
- Research Triangle Institute 3
- University of Wuerzburg 3
- The Scripps Research Institute Molecular Screening Center 3
- Targacept 2
- Vu University Amsterdam 2
- TBA 2
- The University of Toledo 2
- Astrazeneca 2
- Pfizer 2
- University of Bath 2
- Beactica 2
- Orleans University 2
- Swiss Federal Institute of Technology Zurich 2
- Indiana State University 2
- The University of Sydney 1
- Institute 1
- Copenhagen University 1
- Iowa State University Research Foundation 1
- Korea Institute of Science and Technology 1
- Julius Maximilian University of W£Rzburg 1
- State University of New York At Old Westbury 1
- National Institute On Drug Abuse 1
- Bezmialem Vakif University 1
- ...
Affinity: 0.061 to 1.0E+6 nM▿
- Ki 64
- IC50 12
- Kd 4
- EC50 76
- Affinity ≤ nM
Xtal structures: 1
Docked structures: 0
Catalog Cmpds: 1