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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 = 'BDBM50018296'   
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)
BDBM50018296
PNG
(11-[2-(2-Diethylaminomethyl-piperidin-1-yl)-acetyl...)
Show SMILES CCN(CC)CC1CCCCN1CC(=O)N1c2ccc(CC)cc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C26H35N5O2/c1-4-19-12-13-23-21(16-19)26(33)28-22-11-9-14-27-25(22)31(23)24(32)18-30-15-8-7-10-20(30)17-29(5-2)6-3/h9,11-14,16,20H,4-8,10,15,17-18H2,1-3H3,(H,28,33)
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PubMed
n/an/a 200n/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)
BDBM50018296
PNG
(11-[2-(2-Diethylaminomethyl-piperidin-1-yl)-acetyl...)
Show SMILES CCN(CC)CC1CCCCN1CC(=O)N1c2ccc(CC)cc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C26H35N5O2/c1-4-19-12-13-23-21(16-19)26(33)28-22-11-9-14-27-25(22)31(23)24(32)18-30-15-8-7-10-20(30)17-29(5-2)6-3/h9,11-14,16,20H,4-8,10,15,17-18H2,1-3H3,(H,28,33)
PDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 200n/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