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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 = 'BDBM50413108'   
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))
BDBM50413108
PNG
(CHEMBL540145)
Show SMILES CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](CC=C)(Cc3cccc(O)c3)C2)cc1 |r|
Show InChI InChI=1S/C35H42N4O6/c1-4-18-39(22-26-7-5-9-31(41)20-26)19-6-8-29(23-39)36-33(42)32(21-25-10-16-30(40)17-11-25)38-35(44)37-28-14-12-27(13-15-28)34(43)45-24(2)3/h4-5,7,9-17,20,24,29,32H,1,6,8,18-19,21-23H2,2-3H3,(H4-,36,37,38,40,41,42,43,44)/p+1/t29-,32-,39?/m0/s1
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Similars

Article
PubMed
n/an/an/a 0.100n/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 intracellular ...


Bioorg Med Chem Lett 18: 5481-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.020
BindingDB Entry DOI: 10.7270/Q23B61CM
More data for this
Ligand-Target Pair