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BDBM39342 2-aminocarbonyloxypropyl(trimethyl)azanium;chloride::2-carbamoyloxypropyl(trimethyl)ammonium;chloride::2-carbamoyloxypropyl(trimethyl)azanium;chloride::BETHANECHOL::BETHANECHOL CHLORIDE::Bethanecol::Hermes, Myo::MLS000028675::Myotonine::SMR000058680::cid_11548

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

InChI Key: InChIKey=NZUPCNDJBJXXRF-UHFFFAOYSA-O

Data: 1 KI  1 IC50  1 Kd  2 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 5 hits for monomerid = 39342   
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))
BDBM39342
PNG
(2-aminocarbonyloxypropyl(trimethyl)azanium;chlorid...)
Show SMILES CC(C[N+](C)(C)C)OC(N)=O
Show InChI InChI=1S/C7H16N2O2/c1-6(11-7(8)10)5-9(2,3)4/h6H,5H2,1-4H3,(H-,8,10)/p+1
UniProtKB/SwissProt

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KEGG
PC cid
PC sid
UniChem

Similars

PubMed
190n/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 acetylcholine receptor M3


(Cavia porcellus)
BDBM39342
PNG
(2-aminocarbonyloxypropyl(trimethyl)azanium;chlorid...)
Show SMILES CC(C[N+](C)(C)C)OC(N)=O
Show InChI InChI=1S/C7H16N2O2/c1-6(11-7(8)10)5-9(2,3)4/h6H,5H2,1-4H3,(H-,8,10)/p+1
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
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DrugBank
KEGG
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/a 1.26E+4n/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M3 receptor in guinea-pig ileum


Bioorg Med Chem 15: 7626-37 (2007)

More data for this
Ligand-Target Pair
Cholinergic, muscarinic


(GUINEA PIG)
BDBM39342
PNG
(2-aminocarbonyloxypropyl(trimethyl)azanium;chlorid...)
Show SMILES CC(C[N+](C)(C)C)OC(N)=O
Show InChI InChI=1S/C7H16N2O2/c1-6(11-7(8)10)5-9(2,3)4/h6H,5H2,1-4H3,(H-,8,10)/p+1
PDB

UniProtKB/SwissProt

B.MOAD
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DrugBank
KEGG
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 1.41E+3n/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Agonist activity at muscarinic M2 receptor in albino guinea pig left atrium assessed as stimulation of electrically-induced response


Eur J Med Chem 75: 222-32 (2014)

More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)
BDBM39342
PNG
(2-aminocarbonyloxypropyl(trimethyl)azanium;chlorid...)
Show SMILES CC(C[N+](C)(C)C)OC(N)=O
Show InChI InChI=1S/C7H16N2O2/c1-6(11-7(8)10)5-9(2,3)4/h6H,5H2,1-4H3,(H-,8,10)/p+1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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KEGG
PC cid
PC sid
UniChem

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PCBioAssay
n/an/a>5.00E+7n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Cholinergic, muscarinic


(GUINEA PIG)
BDBM39342
PNG
(2-aminocarbonyloxypropyl(trimethyl)azanium;chlorid...)
Show SMILES CC(C[N+](C)(C)C)OC(N)=O
Show InChI InChI=1S/C7H16N2O2/c1-6(11-7(8)10)5-9(2,3)4/h6H,5H2,1-4H3,(H-,8,10)/p+1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.00E+3n/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Agonist activity at muscarinic M3 receptor in albino guinea pig ileum assessed as stimulation of electrically-induced response


Eur J Med Chem 75: 222-32 (2014)

More data for this
Ligand-Target Pair