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BDBM50015728 3-(3-Hydroxy-2-phenyl-propionyloxy)-8,8-dimethyl-8-azonia-bicyclo[3.2.1]octane; bromide(atropine methyl bromide)::CHEMBL63452

SMILES: C[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1

InChI Key: InChIKey=PIPAJLPNWZMYQA-UHFFFAOYSA-N

Data: 3 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50015728   
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


(RAT)
BDBM50015728
PNG
(3-(3-Hydroxy-2-phenyl-propionyloxy)-8,8-dimethyl-8...)
Show SMILES C[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C18H26NO3/c1-19(2)14-8-9-15(19)11-16(10-14)22-18(21)17(12-20)13-6-4-3-5-7-13/h3-7,14-17,20H,8-12H2,1-2H3/q+1
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PubMed
n/an/an/a 2.5n/an/an/an/an/a



Istituto De Angeli

Curated by ChEMBL


Assay Description
In vitro receptor binding against Muscarinic acetylcholine receptor M1 in rat cerebral cortex was determined using [3H]pirenzepine


J Med Chem 33: 2108-13 (1990)


BindingDB Entry DOI: 10.7270/Q2Z60PN5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50015728
PNG
(3-(3-Hydroxy-2-phenyl-propionyloxy)-8,8-dimethyl-8...)
Show SMILES C[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C18H26NO3/c1-19(2)14-8-9-15(19)11-16(10-14)22-18(21)17(12-20)13-6-4-3-5-7-13/h3-7,14-17,20H,8-12H2,1-2H3/q+1
PDB

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PubMed
n/an/an/a 2.70n/an/an/an/an/a



Istituto De Angeli

Curated by ChEMBL


Assay Description
In vitro receptor binding against Muscarinic acetylcholine receptor M2 in rat heart was determined using [3H]pirenzepine


J Med Chem 33: 2108-13 (1990)


BindingDB Entry DOI: 10.7270/Q2Z60PN5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50015728
PNG
(3-(3-Hydroxy-2-phenyl-propionyloxy)-8,8-dimethyl-8...)
Show SMILES C[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C18H26NO3/c1-19(2)14-8-9-15(19)11-16(10-14)22-18(21)17(12-20)13-6-4-3-5-7-13/h3-7,14-17,20H,8-12H2,1-2H3/q+1
Reactome pathway
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/a 2.60n/an/an/an/an/a



Istituto De Angeli

Curated by ChEMBL


Assay Description
In vitro receptor binding against Muscarinic acetylcholine receptor M3 in rat submandibular gland was determined using [3H]pirenzepine


J Med Chem 33: 2108-13 (1990)


BindingDB Entry DOI: 10.7270/Q2Z60PN5
More data for this
Ligand-Target Pair