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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 = 'BDBM50408904'   
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


(GUINEA PIG)
BDBM50408904
PNG
(CHEMBL303052)
Show SMILES CC(C)SC1N(CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN2C(SC(C)C)c3ccccc3C2=O)C(=O)c2ccccc12
Show InChI InChI=1S/C38H60N4O2S2/c1-29(2)45-37-33-21-13-11-19-31(33)35(43)39(37)23-17-27-41(5,6)25-15-9-10-16-26-42(7,8)28-18-24-40-36(44)32-20-12-14-22-34(32)38(40)46-30(3)4/h11-14,19-22,29-30,37-38H,9-10,15-18,23-28H2,1-8H3/q+2
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.26E+3n/an/an/an/a



University of Wuerzburg

Curated by ChEMBL


Assay Description
Ability to dissociate radioligand [3H]NMS from muscarinic acetylcholine receptor M2 of porcine heart


J Med Chem 46: 1390-407 (2003)


Article DOI: 10.1021/jm021077w
BindingDB Entry DOI: 10.7270/Q2JD50JS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(GUINEA PIG)
BDBM50408904
PNG
(CHEMBL303052)
Show SMILES CC(C)SC1N(CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN2C(SC(C)C)c3ccccc3C2=O)C(=O)c2ccccc12
Show InChI InChI=1S/C38H60N4O2S2/c1-29(2)45-37-33-21-13-11-19-31(33)35(43)39(37)23-17-27-41(5,6)25-15-9-10-16-26-42(7,8)28-18-24-40-36(44)32-20-12-14-22-34(32)38(40)46-30(3)4/h11-14,19-22,29-30,37-38H,9-10,15-18,23-28H2,1-8H3/q+2
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 1.26E+3n/an/an/an/a



University of W�rzburg

Curated by ChEMBL


Assay Description
Inhibition of [3H]- N-methyl-scopolamine ([3H]NMS) dissociation from porcine cardiac M2-receptors


J Med Chem 43: 2155-64 (2000)


BindingDB Entry DOI: 10.7270/Q2S183QS
More data for this
Ligand-Target Pair