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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M3' and Ligand = 'BDBM50176725'   
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))
BDBM50176725
PNG
(1-cyclopentyl-3-(3-methoxyquinuclidin-3-yl)-1-(pyr...)
Show SMILES COC1(CN2CCC1CC2)C#CC(O)(C1CCCC1)c1ccccn1 |THB:1:2:5.6:9.8,(-4.54,-3.86,;-3.01,-3.86,;-2.24,-5.21,;-1.71,-6.49,;-.39,-5.47,;1.09,-5.74,;.48,-4.47,;-.98,-4.22,;-1.32,-2.62,;-.61,-3.58,;-3.59,-5.96,;-4.94,-6.72,;-6.28,-7.47,;-7.03,-6.13,;-5.53,-8.81,;-6.17,-10.21,;-5.04,-11.26,;-3.7,-10.5,;-4,-9,;-7.63,-8.23,;-7.65,-9.77,;-8.99,-10.53,;-10.32,-9.74,;-10.3,-8.19,;-8.96,-7.44,)|
Show InChI InChI=1S/C21H28N2O2/c1-25-20(16-23-14-9-17(20)10-15-23)11-12-21(24,18-6-2-3-7-18)19-8-4-5-13-22-19/h4-5,8,13,17-18,24H,2-3,6-7,9-10,14-16H2,1H3
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PC cid
PC sid
UniChem
Article
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4n/an/an/an/an/an/an/an/a



UCB Pharma

Curated by ChEMBL


Assay Description
Binding affinity to human muscarinic M3 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