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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M3' and Monomerid = 50079583   
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))
BDBM50079583
PNG
((R)-3-(3-Hexylsulfanyl-pyrazin-2-yloxy)-1-aza-bicy...)
Show SMILES CCCCCCSc1nccnc1O[C@H]1CN2CCC1C2
Show InChI InChI=1S/C16H25N3OS/c1-2-3-4-5-10-21-16-15(17-7-8-18-16)20-14-12-19-9-6-13(14)11-19/h7-8,13-14H,2-6,9-12H2,1H3/t13?,14-/m0/s1
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KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.90n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Affinity towards human M1 receptor expressed in CHO cells using [3H]QNB as radioligand


Bioorg Med Chem Lett 9: 1895-900 (1999)


Article DOI: 10.1016/s0960-894x(99)00313-3
BindingDB Entry DOI: 10.7270/Q2G161CX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50079583
PNG
((R)-3-(3-Hexylsulfanyl-pyrazin-2-yloxy)-1-aza-bicy...)
Show SMILES CCCCCCSc1nccnc1O[C@H]1CN2CCC1C2
Show InChI InChI=1S/C16H25N3OS/c1-2-3-4-5-10-21-16-15(17-7-8-18-16)20-14-12-19-9-6-13(14)11-19/h7-8,13-14H,2-6,9-12H2,1H3/t13?,14-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 3.70n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro functional agonism against M3 muscarinic receptor (PI)


Bioorg Med Chem Lett 9: 1895-900 (1999)


Article DOI: 10.1016/s0960-894x(99)00313-3
BindingDB Entry DOI: 10.7270/Q2G161CX
More data for this
Ligand-Target Pair