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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 = 'BDBM50176707'   
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))
BDBM50176707
PNG
(1-cyclobutyl-3-(3-methoxyquinuclidin-3-yl)-1-(pyri...)
Show SMILES COC1(CN2CCC1CC2)C#CC(O)(C1CCC1)c1ccccn1 |THB:1:2:5.6:9.8,(8.86,-3.54,;10.4,-3.54,;11.18,-4.88,;11.71,-6.17,;13.03,-5.15,;14.51,-5.42,;13.89,-4.14,;12.44,-3.89,;12.1,-2.29,;12.8,-3.25,;9.82,-5.64,;8.47,-6.4,;7.13,-7.15,;6.37,-5.81,;7.88,-8.5,;7.46,-9.97,;8.94,-10.39,;9.36,-8.91,;5.78,-7.91,;5.76,-9.45,;4.42,-10.21,;3.09,-9.42,;3.11,-7.87,;4.45,-7.12,)|
Show InChI InChI=1S/C20H26N2O2/c1-24-19(15-22-13-8-16(19)9-14-22)10-11-20(23,17-5-4-6-17)18-7-2-3-12-21-18/h2-3,7,12,16-17,23H,4-6,8-9,13-15H2,1H3
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PC cid
PC sid
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Article
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20n/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