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BDBM48918 2-acetoxypropyl(trimethyl)ammonium;chloride::2-acetyloxypropyl(trimethyl)ammonium;chloride::2-acetyloxypropyl(trimethyl)azanium;chloride::METHACHOLINE::METHACHOLINE CHLORIDE::MLS000069656::SMR000059224::cid_6114

SMILES: CC(C[N+](C)(C)C)OC(C)=O

InChI Key: InChIKey=NZWOPGCLSHLLPA-UHFFFAOYSA-N

Data: 5 KI  6 IC50  4 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 48918   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM48918
PNG
(2-acetoxypropyl(trimethyl)ammonium;chloride | 2-ac...)
Show SMILES CC(C[N+](C)(C)C)OC(C)=O
Show InChI InChI=1S/C8H18NO2/c1-7(11-8(2)10)6-9(3,4)5/h7H,6H2,1-5H3/q+1
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23n/an/an/an/an/an/an/an/a



University of Arizona

Curated by PDSP Ki Database




J Pharmacol Exp Ther 256: 689-94 (1991)

More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM48918
PNG
(2-acetoxypropyl(trimethyl)ammonium;chloride | 2-ac...)
Show SMILES CC(C[N+](C)(C)C)OC(C)=O
Show InChI InChI=1S/C8H18NO2/c1-7(11-8(2)10)6-9(3,4)5/h7H,6H2,1-5H3/q+1
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59n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]quinuclidinyl benzilate to Muscarinic acetylcholine receptor M2 in rat cerebral cortical membranes


J Med Chem 41: 2047-55 (1998)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM48918
PNG
(2-acetoxypropyl(trimethyl)ammonium;chloride | 2-ac...)
Show SMILES CC(C[N+](C)(C)C)OC(C)=O
Show InChI InChI=1S/C8H18NO2/c1-7(11-8(2)10)6-9(3,4)5/h7H,6H2,1-5H3/q+1
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59n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]quinuclidinyl benzilate to muscarinic receptors in membranes of CHO cells transfected with Muscarinic acetylcholine rece...


J Med Chem 41: 2047-55 (1998)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(HUMAN M3)
BDBM48918
PNG
(2-acetoxypropyl(trimethyl)ammonium;chloride | 2-ac...)
Show SMILES CC(C[N+](C)(C)C)OC(C)=O
Show InChI InChI=1S/C8H18NO2/c1-7(11-8(2)10)6-9(3,4)5/h7H,6H2,1-5H3/q+1
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1.60E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]quinuclidinyl benzilate to muscarinic receptors in membranes of CHO cells transfected with Muscarinic acetylcholine rece...


J Med Chem 41: 2047-55 (1998)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM48918
PNG
(2-acetoxypropyl(trimethyl)ammonium;chloride | 2-ac...)
Show SMILES CC(C[N+](C)(C)C)OC(C)=O
Show InChI InChI=1S/C8H18NO2/c1-7(11-8(2)10)6-9(3,4)5/h7H,6H2,1-5H3/q+1
KEGG

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1.60E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]quinuclidinyl benzilate to Muscarinic acetylcholine receptor M4 in rat cerebral cortical membranes


J Med Chem 41: 2047-55 (1998)

More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM48918
PNG
(2-acetoxypropyl(trimethyl)ammonium;chloride | 2-ac...)
Show SMILES CC(C[N+](C)(C)C)OC(C)=O
Show InChI InChI=1S/C8H18NO2/c1-7(11-8(2)10)6-9(3,4)5/h7H,6H2,1-5H3/q+1
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n/an/an/an/a 120n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against stimulation of [3H]inositol monophosphate accumulation in [3H]inositol-labelled CHO transfected cells mediated by Muscari...


J Med Chem 41: 2047-55 (1998)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM48918
PNG
(2-acetoxypropyl(trimethyl)ammonium;chloride | 2-ac...)
Show SMILES CC(C[N+](C)(C)C)OC(C)=O
Show InChI InChI=1S/C8H18NO2/c1-7(11-8(2)10)6-9(3,4)5/h7H,6H2,1-5H3/q+1
KEGG

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n/an/a 700n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against [3H]-cyclic AMP accumulation in CHO transfected cells mediated by Muscarinic acetylcholine receptor M4


J Med Chem 41: 2047-55 (1998)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM48918
PNG
(2-acetoxypropyl(trimethyl)ammonium;chloride | 2-ac...)
Show SMILES CC(C[N+](C)(C)C)OC(C)=O
Show InChI InChI=1S/C8H18NO2/c1-7(11-8(2)10)6-9(3,4)5/h7H,6H2,1-5H3/q+1
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n/an/an/an/a 400n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against stimulation of [3H]inositol monophosphate accumulation in [3H]inositol-labelled CHO transfected cells mediated by Muscari...


J Med Chem 41: 2047-55 (1998)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM48918
PNG
(2-acetoxypropyl(trimethyl)ammonium;chloride | 2-ac...)
Show SMILES CC(C[N+](C)(C)C)OC(C)=O
Show InChI InChI=1S/C8H18NO2/c1-7(11-8(2)10)6-9(3,4)5/h7H,6H2,1-5H3/q+1
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n/an/a 5.20E+3n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against [3H]quinuclidinyl Benzilate binding to Muscarinic acetylcholine receptor M2 in the presence of GTP


J Med Chem 41: 2047-55 (1998)

More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM48918
PNG
(2-acetoxypropyl(trimethyl)ammonium;chloride | 2-ac...)
Show SMILES CC(C[N+](C)(C)C)OC(C)=O
Show InChI InChI=1S/C8H18NO2/c1-7(11-8(2)10)6-9(3,4)5/h7H,6H2,1-5H3/q+1
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n/an/a 380n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of binding of 0.1 nM [3H]quinuclidinyl benzilate to Muscarinic acetylcholine receptor M2 in rat cerebral cortical membranes of transfected...


J Med Chem 41: 2047-55 (1998)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM48918
PNG
(2-acetoxypropyl(trimethyl)ammonium;chloride | 2-ac...)
Show SMILES CC(C[N+](C)(C)C)OC(C)=O
Show InChI InChI=1S/C8H18NO2/c1-7(11-8(2)10)6-9(3,4)5/h7H,6H2,1-5H3/q+1
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n/an/a 380n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against [3H]quinuclidinyl Benzilate binding to Muscarinic acetylcholine receptor M2 in the absence of GTP


J Med Chem 41: 2047-55 (1998)

More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM48918
PNG
(2-acetoxypropyl(trimethyl)ammonium;chloride | 2-ac...)
Show SMILES CC(C[N+](C)(C)C)OC(C)=O
Show InChI InChI=1S/C8H18NO2/c1-7(11-8(2)10)6-9(3,4)5/h7H,6H2,1-5H3/q+1
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n/an/a 5.20E+3n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of binding of 0.1 nM [3H]quinuclidinyl benzilate to Muscarinic acetylcholine receptor M2 in rat cerebral cortical membranes of transfected...


J Med Chem 41: 2047-55 (1998)

More data for this
Ligand-Target Pair
Galanin receptor 3


(HUMAN)
BDBM48918
PNG
(2-acetoxypropyl(trimethyl)ammonium;chloride | 2-ac...)
Show SMILES CC(C[N+](C)(C)C)OC(C)=O
Show InChI InChI=1S/C8H18NO2/c1-7(11-8(2)10)6-9(3,4)5/h7H,6H2,1-5H3/q+1
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PCBioAssay
n/an/a 7.37E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM48918
PNG
(2-acetoxypropyl(trimethyl)ammonium;chloride | 2-ac...)
Show SMILES CC(C[N+](C)(C)C)OC(C)=O
Show InChI InChI=1S/C8H18NO2/c1-7(11-8(2)10)6-9(3,4)5/h7H,6H2,1-5H3/q+1
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n/an/an/an/a 0.00668n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH0776...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM48918
PNG
(2-acetoxypropyl(trimethyl)ammonium;chloride | 2-ac...)
Show SMILES CC(C[N+](C)(C)C)OC(C)=O
Show InChI InChI=1S/C8H18NO2/c1-7(11-8(2)10)6-9(3,4)5/h7H,6H2,1-5H3/q+1
KEGG

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n/an/an/an/a 0.00620n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH0776...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair