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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M3' and Monomerid = 50297134   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50297134
PNG
(CHEMBL558919 | endo-3-(8-methyl-8-azabicyclo[3.2.1...)
Show SMILES CN1[C@@H]2CC[C@@H]1CC(CC(C(O)=O)(c1ccccc1)c1ccccc1)C2
Show InChI InChI=1S/C23H27NO2/c1-24-20-12-13-21(24)15-17(14-20)16-23(22(25)26,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,17,20-21H,12-16H2,1H3,(H,25,26)/t20-,21-/m1/s1
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KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 687n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by FLIPR


J Med Chem 52: 5241-52 (2010)


Article DOI: 10.1021/jm900736e
BindingDB Entry DOI: 10.7270/Q2PK0H54
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50297134
PNG
(CHEMBL558919 | endo-3-(8-methyl-8-azabicyclo[3.2.1...)
Show SMILES CN1[C@@H]2CC[C@@H]1CC(CC(C(O)=O)(c1ccccc1)c1ccccc1)C2
Show InChI InChI=1S/C23H27NO2/c1-24-20-12-13-21(24)15-17(14-20)16-23(22(25)26,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,17,20-21H,12-16H2,1H3,(H,25,26)/t20-,21-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 687n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 4560-2 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.006
BindingDB Entry DOI: 10.7270/Q2DB81WW
More data for this
Ligand-Target Pair