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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M2' and Ligand = 'BDBM50176716'   
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 M2


(Homo sapiens (Human))
BDBM50176716
PNG
(3-(3-methoxyquinuclidin-3-yl)-1-phenyl-1-(pyridin-...)
Show SMILES COC1(CN2CCC1CC2)C#CC(O)(c1ccccc1)c1ccncc1 |THB:1:2:5.6:9.8,(8.98,-12.42,;10.51,-12.38,;11.32,-13.7,;11.88,-14.97,;13.17,-13.92,;14.65,-14.16,;14.01,-12.9,;12.55,-12.68,;12.17,-11.1,;12.9,-12.04,;9.98,-14.49,;8.66,-15.28,;7.34,-16.07,;6.55,-14.75,;6.01,-16.85,;4.66,-16.1,;3.35,-16.88,;3.37,-18.43,;4.71,-19.18,;6.03,-18.39,;8.12,-17.38,;9.66,-17.37,;10.44,-18.69,;9.69,-20.03,;8.16,-20.06,;7.37,-18.73,)|
Show InChI InChI=1S/C22H24N2O2/c1-26-21(17-24-15-9-18(21)10-16-24)11-12-22(25,19-5-3-2-4-6-19)20-7-13-23-14-8-20/h2-8,13-14,18,25H,9-10,15-17H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5n/an/an/an/an/an/an/an/a



UCB Pharma

Curated by ChEMBL


Assay Description
Binding affinity to human muscarinic M2 receptor


Bioorg Med Chem Lett 16: 373-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.079
BindingDB Entry DOI: 10.7270/Q2T72J70
More data for this
Ligand-Target Pair