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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 = 50297130   
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))
BDBM50297130
PNG
(CHEMBL558063 | endo-N-(3-(8-methyl-8-azabicyclo[3....)
Show SMILES CN1[C@@H]2CC[C@@H]1CC(CC(CNC(C)=O)(c1ccccc1)c1ccccc1)C2
Show InChI InChI=1S/C25H32N2O/c1-19(28)26-18-25(21-9-5-3-6-10-21,22-11-7-4-8-12-22)17-20-15-23-13-14-24(16-20)27(23)2/h3-12,20,23-24H,13-18H2,1-2H3,(H,26,28)/t23-,24-/m1/s1
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KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.90E+3n/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))
BDBM50297130
PNG
(CHEMBL558063 | endo-N-(3-(8-methyl-8-azabicyclo[3....)
Show SMILES CN1[C@@H]2CC[C@@H]1CC(CC(CNC(C)=O)(c1ccccc1)c1ccccc1)C2
Show InChI InChI=1S/C25H32N2O/c1-19(28)26-18-25(21-9-5-3-6-10-21,22-11-7-4-8-12-22)17-20-15-23-13-14-24(16-20)27(23)2/h3-12,20,23-24H,13-18H2,1-2H3,(H,26,28)/t23-,24-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.90E+3n/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