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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M3' and Monomerid = 50173094   
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 M3


(Homo sapiens (Human))
BDBM50173094
PNG
(4-(4-Methylsulfanyl-phenyl)-piperazine-1-carboxyli...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(SC)cc2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C24H33N5O2S/c1-26-10-12-28(13-11-26)22-18-19(4-9-23(22)31-2)25-24(30)29-16-14-27(15-17-29)20-5-7-21(32-3)8-6-20/h4-9,18H,10-17H2,1-3H3,(H,25,30)
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KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Affinity towards cloned Muscarinic acetylcholine receptor M3


Bioorg Med Chem Lett 15: 4786-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.024
BindingDB Entry DOI: 10.7270/Q2NP23ZZ
More data for this
Ligand-Target Pair