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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 = 'BDBM50525144'   
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))
BDBM50525144
PNG
(CHEMBL4448933)
Show SMILES Nc1ccccc1C(=O)N1CCC(CC1)N1CCC(Cc2ccc(cc2)S(=O)(=O)c2cccc(Cl)c2)CC1
Show InChI InChI=1S/C30H34ClN3O3S/c31-24-4-3-5-27(21-24)38(36,37)26-10-8-22(9-11-26)20-23-12-16-33(17-13-23)25-14-18-34(19-15-25)30(35)28-6-1-2-7-29(28)32/h1-11,21,23,25H,12-20,32H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.200n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-NMS from human muscarinic M2 receptor expressed in CHO cell membranes assessed as inhibition constant by radioligand competition...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113159
BindingDB Entry DOI: 10.7270/Q2F47SWV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50525144
PNG
(CHEMBL4448933)
Show SMILES Nc1ccccc1C(=O)N1CCC(CC1)N1CCC(Cc2ccc(cc2)S(=O)(=O)c2cccc(Cl)c2)CC1
Show InChI InChI=1S/C30H34ClN3O3S/c31-24-4-3-5-27(21-24)38(36,37)26-10-8-22(9-11-26)20-23-12-16-33(17-13-23)25-14-18-34(19-15-25)30(35)28-6-1-2-7-29(28)32/h1-11,21,23,25H,12-20,32H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.200n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]-QNB from human muscarinic M2 receptor expressed in stable CHO-K1 cells incubated for 120 mins by radioligand competition binding...


J Med Chem 62: 5358-5369 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01967
BindingDB Entry DOI: 10.7270/Q25H7KQF
More data for this
Ligand-Target Pair