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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M2' and Ligand = 'BDBM50522820'   
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))		BDBM50522820
PNG
(CHEMBL4463636)
Show SMILES Cc1cccc(CCC[N+]23CCC(CC2)C(C3)OC(=O)C(O)(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C31H36NO3.BrH/c1-24-10-8-11-25(22-24)12-9-19-32-20-17-26(18-21-32)29(23-32)35-30(33)31(34,27-13-4-2-5-14-27)28-15-6-3-7-16-28;/h2-8,10-11,13-16,22,26,29,34H,9,12,17-21,23H2,1H3;1H/q+1;/p-1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
 1.40n/an/an/an/an/an/an/an/a



National Institute of Advanced Industrial Science and Technology (AIST)

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M2R expressed in CHOK1 cell membranes incubated for 2 hrs by microbeta scintillation counting method

Bioorg Med Chem 27: 3339-3346 (2019)


Article DOI: 10.1016/j.bmc.2019.06.016
BindingDB Entry DOI: 10.7270/Q2DR2ZXC
More data for this
Ligand-Target Pair