BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M2' and Ligand = 'BDBM50522824'   
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))		BDBM50522824
PNG
(CHEMBL4521993)
Show SMILES [Br-].OC(C(=O)OC1C[N+]2(CCCc3ccc(OC(F)(F)F)cc3)CCC1CC2)(c1ccccc1)c1ccccc1 |(60.52,-35.48,;50.59,-37.33,;51.93,-38.1,;53.27,-38.87,;53.27,-40.41,;54.6,-38.09,;55.93,-38.86,;57.26,-38.08,;58.59,-38.86,;59.92,-38.09,;61.25,-38.86,;62.59,-38.1,;63.92,-38.87,;63.91,-40.41,;65.24,-41.18,;66.58,-40.41,;67.91,-41.19,;67.91,-42.73,;69.25,-43.5,;66.58,-43.49,;67.9,-44.27,;66.58,-38.87,;65.25,-38.1,;58.59,-40.4,;57.26,-41.16,;55.93,-40.4,;57.43,-40.2,;57.08,-39.15,;51.92,-36.56,;53.26,-35.79,;53.25,-34.25,;51.92,-33.48,;50.58,-34.27,;50.59,-35.8,;50.6,-38.88,;49.26,-38.1,;47.93,-38.88,;47.94,-40.42,;49.28,-41.18,;50.61,-40.41,)|
Show InChI InChI=1S/C31H33F3NO4.BrH/c32-31(33,34)39-27-15-13-23(14-16-27)8-7-19-35-20-17-24(18-21-35)28(22-35)38-29(36)30(37,25-9-3-1-4-10-25)26-11-5-2-6-12-26;/h1-6,9-16,24,28,37H,7-8,17-22H2;1H/q+1;/p-1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 2.60n/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