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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 540.0
BDBM50142810

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


(Homo sapiens (Human))
BDBM50142810
PNG
(4-{2-[1'-(2-Chloro-benzoyl)-[1,4']bipiperidinyl-4-...)
Show SMILES CC(C)NC(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1ccccc1Cl
Show InChI InChI=1S/C30H38ClN3O4/c1-21(2)32-28(35)22-7-9-23(10-8-22)30(37-19-20-38-30)24-11-15-33(16-12-24)25-13-17-34(18-14-25)29(36)26-5-3-4-6-27(26)31/h3-10,21,24-25H,11-20H2,1-2H3,(H,32,35)
PDB

UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
35n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against cloned human muscarinic acetylcholine receptor M2.


Bioorg Med Chem Lett 14: 1791-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.033
BindingDB Entry DOI: 10.7270/Q22N51QH
More data for this
Ligand-Target Pair