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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 = 'BDBM50018308'   
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


(RAT)
BDBM50018308
PNG
(11-[2-(2-Diethylaminomethyl-azepan-1-yl)-acetyl]-5...)
Show SMILES CCN(CC)CC1CCCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C25H33N5O2/c1-3-28(4-2)17-19-11-6-5-9-16-29(19)18-23(31)30-22-14-8-7-12-20(22)25(32)27-21-13-10-15-26-24(21)30/h7-8,10,12-15,19H,3-6,9,11,16-18H2,1-2H3,(H,27,32)
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PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of muscarinic (M2) receptor isolated from rat atria


J Med Chem 37: 3775-88 (1994)


BindingDB Entry DOI: 10.7270/Q2QC02JX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50018308
PNG
(11-[2-(2-Diethylaminomethyl-azepan-1-yl)-acetyl]-5...)
Show SMILES CCN(CC)CC1CCCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C25H33N5O2/c1-3-28(4-2)17-19-11-6-5-9-16-29(19)18-23(31)30-22-14-8-7-12-20(22)25(32)27-21-13-10-15-26-24(21)30/h7-8,10,12-15,19H,3-6,9,11,16-18H2,1-2H3,(H,27,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Dr. Karl Thomae GmbH

Curated by ChEMBL


Assay Description
Binding affinity to the rat cardiac muscarinic acetylcholine receptor M2 using 0.3 nM [3H]-N-methylscopolamine as radioligand


J Med Chem 32: 1718-24 (1989)


BindingDB Entry DOI: 10.7270/Q2XG9Q4Q
More data for this
Ligand-Target Pair