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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 Ligand = 'BDBM50133679'   
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))
BDBM50133679
PNG
(CHEMBL3633665)
Show SMILES CN(CCN1CCOCC1)CC(=O)c1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C23H27N3O2/c1-25(11-12-26-13-15-28-16-14-26)17-21(27)22-19-9-5-6-10-20(19)24-23(22)18-7-3-2-4-8-18/h2-10,24H,11-17H2,1H3
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.12E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M3 receptor expressed in HEK293 cells assessed as inhibition of carbachol-induced inositol monophosphate accu...


J Med Chem 58: 8938-51 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01254
BindingDB Entry DOI: 10.7270/Q2DF6T1G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50133679
PNG
(CHEMBL3633665)
Show SMILES CN(CCN1CCOCC1)CC(=O)c1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C23H27N3O2/c1-25(11-12-26-13-15-28-16-14-26)17-21(27)22-19-9-5-6-10-20(19)24-23(22)18-7-3-2-4-8-18/h2-10,24H,11-17H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.13E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M3 receptor expressed in HEK293 cells assessed as inhibition of carbachol-induced inositol monophosphate accu...


J Med Chem 58: 8938-51 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01254
BindingDB Entry DOI: 10.7270/Q2DF6T1G
More data for this
Ligand-Target Pair