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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 = 50292665   
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))
BDBM50292665
PNG
((+)-1-(1'-(4-bromobenzyl)-3-phenyl-3,4'-bipiperidi...)
Show SMILES CC(=O)N1CCCC(C1)(C1CCN(Cc2ccc(Br)cc2)CC1)c1ccccc1
Show InChI InChI=1S/C25H31BrN2O/c1-20(29)28-15-5-14-25(19-28,22-6-3-2-4-7-22)23-12-16-27(17-13-23)18-21-8-10-24(26)11-9-21/h2-4,6-11,23H,5,12-19H2,1H3
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KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Binding affinity to human muscarinic M3 receptor


Bioorg Med Chem Lett 18: 5819-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.07.115
BindingDB Entry DOI: 10.7270/Q2RV0NQB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50292665
PNG
((+)-1-(1'-(4-bromobenzyl)-3-phenyl-3,4'-bipiperidi...)
Show SMILES CC(=O)N1CCCC(C1)(C1CCN(Cc2ccc(Br)cc2)CC1)c1ccccc1
Show InChI InChI=1S/C25H31BrN2O/c1-20(29)28-15-5-14-25(19-28,22-6-3-2-4-7-22)23-12-16-27(17-13-23)18-21-8-10-24(26)11-9-21/h2-4,6-11,23H,5,12-19H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Binding affinity to human muscarinic M3 receptor


Bioorg Med Chem Lett 18: 5819-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.07.115
BindingDB Entry DOI: 10.7270/Q2RV0NQB
More data for this
Ligand-Target Pair