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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 549.7
BDBM50474559

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   
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


(GUINEA PIG)
BDBM50474559
PNG
(CHEMBL285136)
Show SMILES C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2cccnc2C1=O)CCCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C31H43N5O4/c1-35(2,22-12-18-33-28(37)24-14-7-8-15-25(24)29(33)38)20-9-5-6-10-21-36(3,4)23-13-19-34-30(39)26-16-11-17-32-27(26)31(34)40/h7-8,11,14-17H,5-6,9-10,12-13,18-23H2,1-4H3/q+2
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.34E+3n/an/an/an/a



University of Wuerzburg

Curated by ChEMBL


Assay Description
Ability to dissociate radioligand [3H]NMS from muscarinic acetylcholine receptor M2 of porcine heart


J Med Chem 46: 1390-407 (2003)


Article DOI: 10.1021/jm021077w
BindingDB Entry DOI: 10.7270/Q2JD50JS
More data for this
Ligand-Target Pair