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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 = 'BDBM50413425'   
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))
BDBM50413425
PNG
(CHEMBL492701)
Show SMILES CC1CN(Cc2cccc(n2)-c2cccc(CNC(=O)c3ccc4OCOc4c3)c2)CCN1
Show InChI InChI=1S/C26H28N4O3/c1-18-15-30(11-10-27-18)16-22-6-3-7-23(29-22)20-5-2-4-19(12-20)14-28-26(31)21-8-9-24-25(13-21)33-17-32-24/h2-9,12-13,18,27H,10-11,14-17H2,1H3,(H,28,31)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 39.8n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 1686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.098
BindingDB Entry DOI: 10.7270/Q2639QZ5
More data for this
Ligand-Target Pair