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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M2' and Ligand = 'BDBM50018229'   
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 M2


(Homo sapiens (Human))
BDBM50018229
PNG
(2-(4-Hydroxy-phenyl)-2-phenyl-propionic acid 2-die...)
Show SMILES CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccc(O)cc1
Show InChI InChI=1S/C21H27NO3/c1-4-22(5-2)15-16-25-20(24)21(3,17-9-7-6-8-10-17)18-11-13-19(23)14-12-18/h6-14,23H,4-5,15-16H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.165n/an/an/an/an/an/an/an/a



Walter Reed Army Institute of Research

Curated by ChEMBL


Assay Description
Displacement of [3H] N-methylscopolamine from human muscarinic M2 receptor expressed in CHOK1 cells after 30 mins by scintillation counting analysis


Bioorg Med Chem 21: 2651-62 (2013)


Article DOI: 10.1016/j.bmc.2013.01.072
BindingDB Entry DOI: 10.7270/Q2X92F6X
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50018229
PNG
(2-(4-Hydroxy-phenyl)-2-phenyl-propionic acid 2-die...)
Show SMILES CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccc(O)cc1
Show InChI InChI=1S/C21H27NO3/c1-4-22(5-2)15-16-25-20(24)21(3,17-9-7-6-8-10-17)18-11-13-19(23)14-12-18/h6-14,23H,4-5,15-16H2,1-3H3
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
5.60n/an/an/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of carbachol-induced release of alpha-amylase from pancreatic acinar cells from that of rat ileum contained the M2 receptor subtypes


J Med Chem 32: 1522-8 (1989)


BindingDB Entry DOI: 10.7270/Q2VQ3374
More data for this
Ligand-Target Pair