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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 = 'BDBM50267470'   
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))
BDBM50267470
PNG
(3-[Hydroxy(diphenyl)methyl]-1-(2-phenylethyl)-1-az...)
Show SMILES OC(C1C[N+]2(CCc3ccccc3)CCC1CC2)(c1ccccc1)c1ccccc1 |(10.91,-21.64,;10.13,-22.98,;8.8,-22.2,;8.8,-20.65,;7.46,-19.87,;7.44,-18.33,;8.77,-17.55,;8.75,-16.01,;10.08,-15.23,;10.07,-13.69,;8.72,-12.93,;7.39,-13.72,;7.41,-15.26,;6.12,-20.65,;6.12,-22.2,;7.46,-22.97,;8.11,-21.68,;6.82,-21.05,;9.37,-24.32,;7.83,-24.32,;7.07,-25.65,;7.85,-26.99,;9.4,-26.97,;10.15,-25.63,;11.46,-23.75,;11.45,-25.28,;12.77,-26.05,;14.1,-25.28,;14.1,-23.75,;12.78,-22.99,)|
Show InChI InChI=1S/C28H32NO/c30-28(25-12-6-2-7-13-25,26-14-8-3-9-15-26)27-22-29(20-17-24(27)18-21-29)19-16-23-10-4-1-5-11-23/h1-15,24,27,30H,16-22H2/q+1
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Similars

Article
PubMed
n/an/a 2.82E+6n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilizatio...


J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair