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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M3' and Monomerid = 50208043   
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))
BDBM50208043
PNG
(1-methyl-3-(R)-[4,4-Bis-(4-fluoro-phenyl)-2-oxo-im...)
Show SMILES C[N+]1(CCc2ccccc2)CC[C@H](C1)N1CC(NC1=O)(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C28H29F2N3O/c1-33(17-15-21-5-3-2-4-6-21)18-16-26(19-33)32-20-28(31-27(32)34,22-7-11-24(29)12-8-22)23-9-13-25(30)14-10-23/h2-14,26H,15-20H2,1H3/p+1/t26-,33?/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
0.75n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M3 receptor expressed in CHOK1 cells


J Med Chem 50: 1693-7 (2007)


Article DOI: 10.1021/jm061160+
BindingDB Entry DOI: 10.7270/Q2M32VF5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50208043
PNG
(1-methyl-3-(R)-[4,4-Bis-(4-fluoro-phenyl)-2-oxo-im...)
Show SMILES C[N+]1(CCc2ccccc2)CC[C@H](C1)N1CC(NC1=O)(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C28H29F2N3O/c1-33(17-15-21-5-3-2-4-6-21)18-16-26(19-33)32-20-28(31-27(32)34,22-7-11-24(29)12-8-22)23-9-13-25(30)14-10-23/h2-14,26H,15-20H2,1H3/p+1/t26-,33?/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.5n/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Activity at muscarinic M3 receptor in Albino Dunkin-Hartley guinea pig trachea assessed as inhibition of carbachol-induced contraction


J Med Chem 50: 1693-7 (2007)


Article DOI: 10.1021/jm061160+
BindingDB Entry DOI: 10.7270/Q2M32VF5
More data for this
Ligand-Target Pair