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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 = 'BDBM50522823'   
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))		BDBM50522823
PNG
(CHEMBL4545504)
Show SMILES COc1ccc(CCC[N+]23CCC(CC2)C(C3)OC(=O)C(O)(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C31H36NO4.BrH/c1-35-28-16-14-24(15-17-28)9-8-20-32-21-18-25(19-22-32)29(23-32)36-30(33)31(34,26-10-4-2-5-11-26)27-12-6-3-7-13-27;/h2-7,10-17,25,29,34H,8-9,18-23H2,1H3;1H/q+1;/p-1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
 0.910n/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