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BDBM50267649 1-[2-({[4-(1,1-Dimethylethyl)phenyl]methyl}oxy)ethyl]-4-[hydroxy(diphenyl)methyl]-1-azoniabicyclo[2.2.2]octane Bromide::CHEMBL483253

SMILES: CC(C)(C)c1ccc(COCC[N+]23CCC(CC2)(CC3)C(O)(c2ccccc2)c2ccccc2)cc1

InChI Key: InChIKey=XMVDRXQIFDPOSJ-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50267649   
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 M3


(Homo sapiens (Human))
BDBM50267649
PNG
(1-[2-({[4-(1,1-Dimethylethyl)phenyl]methyl}oxy)eth...)
Show SMILES CC(C)(C)c1ccc(COCC[N+]23CCC(CC2)(CC3)C(O)(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C33H42NO2/c1-31(2,3)28-16-14-27(15-17-28)26-36-25-24-34-21-18-32(19-22-34,20-23-34)33(35,29-10-6-4-7-11-29)30-12-8-5-9-13-30/h4-17,35H,18-26H2,1-3H3/q+1
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Similars

Article
PubMed
n/an/a 3.90E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilizatio...


J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair