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BDBM50004656 (2-Carbamoyloxy-ethyl)-trimethyl-ammonium::(2-Carbamoyloxyethyl)trimethylammonium chloride::(2-Hydroxyethyl)trimethyl ammonium chloride carbamate::(2-Hydroxyethyl)trimethylammonium chloride carbamate::(carbachol)(2-Carbamoyloxy-ethyl)-trimethyl-ammonium::2-((Aminocarbonyl)oxy)-N,N,N-trimethylethanaminium chloride::2-((Aminocarbonyl)oxy)-N,N,N-trimethylethanaminum chloride::2-(carbamoyloxy)-N,N,N-trimethylethanaminium::2-(carbamoyloxy)-N,N,N-trimethylethanaminium chloride::CARBACHOL::CARBASTAT::CHEMBL14::Carbachol chloride::Carbamylcholine::Choline carbamate chloride::Choline chloride, carbamate::Choline chlorine carbamate::Karbachol::Karbamoylcholin chlorid::MIOSTAT

SMILES: C[N+](C)(C)CCOC(N)=O

InChI Key: InChIKey=VPJXQGSRWJZDOB-UHFFFAOYSA-O

Data: 131 KI  35 IC50  3 Kd  38 EC50

PDB links: 1 PDB ID matches this monomer.

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 207 hits for monomerid = 50004656   
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 M4


(Homo sapiens (Human))
BDBM50004656
PNG
((2-Carbamoyloxy-ethyl)-trimethyl-ammonium | (2-Car...)
Show SMILES C[N+](C)(C)CCOC(N)=O
Show InChI InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1
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Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



The University of Toledo

Curated by ChEMBL


Assay Description
Inhibitory activity was evaluated against Muscarinic acetylcholine receptor M4 expressed in A9 L cells


J Med Chem 46: 4273-86 (2003)


Article DOI: 10.1021/jm0301235
BindingDB Entry DOI: 10.7270/Q2MG7QT4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50004656
PNG
((2-Carbamoyloxy-ethyl)-trimethyl-ammonium | (2-Car...)
Show SMILES C[N+](C)(C)CCOC(N)=O
Show InChI InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1
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n/an/a 13n/an/an/an/an/an/a



The University of Toledo

Curated by ChEMBL


Assay Description
Inhibitory activity was evaluated against Muscarinic acetylcholine receptor M2 expressed in A9 L cells


J Med Chem 46: 4273-86 (2003)


Article DOI: 10.1021/jm0301235
BindingDB Entry DOI: 10.7270/Q2MG7QT4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50004656
PNG
((2-Carbamoyloxy-ethyl)-trimethyl-ammonium | (2-Car...)
Show SMILES C[N+](C)(C)CCOC(N)=O
Show InChI InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1
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n/an/an/an/a 250n/an/an/an/a



Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Agonist activity at EGFP-fused human M1 receptor N-terminal truncated at 17 residues expressed in HEK293 cells assessed as induction of calcium respo...


J Med Chem 55: 2125-43 (2012)


Article DOI: 10.1021/jm201348t
BindingDB Entry DOI: 10.7270/Q2XW4KZ2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50004656
PNG
((2-Carbamoyloxy-ethyl)-trimethyl-ammonium | (2-Car...)
Show SMILES C[N+](C)(C)CCOC(N)=O
Show InChI InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1
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n/an/an/an/a 1.50E+4n/an/an/an/a



Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Agonist activity at human M3 receptor in HEK293 cells assessed as induction of calcium response by fluorescence assay


J Med Chem 55: 2125-43 (2012)


Article DOI: 10.1021/jm201348t
BindingDB Entry DOI: 10.7270/Q2XW4KZ2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50004656
PNG
((2-Carbamoyloxy-ethyl)-trimethyl-ammonium | (2-Car...)
Show SMILES C[N+](C)(C)CCOC(N)=O
Show InChI InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1
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n/an/an/a 1.54E+4n/an/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant muscarinic receptor complex, measured in guinea pig ileum


J Med Chem 31: 577-82 (1988)


Article DOI: 10.1021/jm00398a015
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50004656
PNG
((2-Carbamoyloxy-ethyl)-trimethyl-ammonium | (2-Car...)
Show SMILES C[N+](C)(C)CCOC(N)=O
Show InChI InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1
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n/an/a 17n/an/an/an/an/an/a



Sandoz Pharma Ltd.

Curated by ChEMBL


Assay Description
Ability to displace [3H]cis--2-methyl-5-((dimethylamino)methyl)-1,3-di oxolane from muscarinic acetylcholine receptor in rat cortical tissue.


J Med Chem 35: 15-27 (1992)


Article DOI: 10.1021/jm00079a002
BindingDB Entry DOI: 10.7270/Q29022RV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50004656
PNG
((2-Carbamoyloxy-ethyl)-trimethyl-ammonium | (2-Car...)
Show SMILES C[N+](C)(C)CCOC(N)=O
Show InChI InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1
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n/an/a 9.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of solubilized, purified rat liver HMG-CoA reductase.


J Med Chem 29: 1004-9 (1986)


Article DOI: 10.1021/jm00156a018
BindingDB Entry DOI: 10.7270/Q2XP73XW
More data for this
Ligand-Target Pair
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