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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 = 50297128   
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))
BDBM50297128
PNG
(CHEMBL552277 | endo-1-benzyl-3-(3-(8-methyl-8-azab...)
Show SMILES CN1[C@@H]2CC[C@@H]1CC(CC(CNC(=O)NCc1ccccc1)(c1ccccc1)c1ccccc1)C2
Show InChI InChI=1S/C31H37N3O/c1-34-28-17-18-29(34)20-25(19-28)21-31(26-13-7-3-8-14-26,27-15-9-4-10-16-27)23-33-30(35)32-22-24-11-5-2-6-12-24/h2-16,25,28-29H,17-23H2,1H3,(H2,32,33,35)/t28-,29-/m1/s1
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UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.34E+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))
BDBM50297128
PNG
(CHEMBL552277 | endo-1-benzyl-3-(3-(8-methyl-8-azab...)
Show SMILES CN1[C@@H]2CC[C@@H]1CC(CC(CNC(=O)NCc1ccccc1)(c1ccccc1)c1ccccc1)C2
Show InChI InChI=1S/C31H37N3O/c1-34-28-17-18-29(34)20-25(19-28)21-31(26-13-7-3-8-14-26,27-15-9-4-10-16-27)23-33-30(35)32-22-24-11-5-2-6-12-24/h2-16,25,28-29H,17-23H2,1H3,(H2,32,33,35)/t28-,29-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.34E+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