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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 = 'BDBM50110536'   
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))
BDBM50110536
PNG
((4-Cyclohexyl-2-methyl-piperazin-1-yl)-[4-(4-metho...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(C#N)N1CCN(C[C@H]1C)C1CCCCC1
Show InChI InChI=1S/C26H33N3O3S/c1-20-19-28(22-6-4-3-5-7-22)16-17-29(20)26(18-27)21-8-12-24(13-9-21)33(30,31)25-14-10-23(32-2)11-15-25/h8-15,20,22,26H,3-7,16-17,19H2,1-2H3/t20-,26?/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.160n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity against cloned human Muscarinic acetylcholine receptor M2


Bioorg Med Chem Lett 12: 791-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00023-9
BindingDB Entry DOI: 10.7270/Q2VH5N5J
More data for this
Ligand-Target Pair