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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 = 'BDBM50253091'   
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))		BDBM50253091
PNG
(CHEMBL4083081)
Show SMILES Cc1nnc2sc(C(=O)NC3CN(C3)c3ccc(nc3)C(F)(F)F)c(N)c2c1C
Show InChI InChI=1S/C18H17F3N6OS/c1-8-9(2)25-26-17-13(8)14(22)15(29-17)16(28)24-10-6-27(7-10)11-3-4-12(23-5-11)18(19,20)21/h3-5,10H,6-7,22H2,1-2H3,(H,24,28)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 960n/an/an/an/a



Vanderbilt Center for Neuroscience Drug Discovery, Vanderbilt University School of Medicine, Nashville, TN 37232, USA.

Curated by ChEMBL


Assay Description
Activity at human M2 receptor assessed as increase in acetylcholine-induced calcium mobilization

Bioorg Med Chem Lett 27: 2990-2995 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.014
BindingDB Entry DOI: 10.7270/Q2MS3W6Q
More data for this
Ligand-Target Pair