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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 = 50223163   
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))
BDBM50223163
PNG
(1-[4-(4,5-dihydroisoxazol-3-yloxy)but-2-yn-1-yl]pi...)
Show SMILES C(OC1=NOCC1)C#CC[NH+]1CCCCC1
Show InChI InChI=1S/C12H18N2O2/c1-2-7-14(8-3-1)9-4-5-10-15-12-6-11-16-13-12/h1-3,6-11H2/p+1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.92E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from human muscarinic M3 receptor expressed in CHO cells


Bioorg Med Chem 15: 7626-37 (2007)


Article DOI: 10.1016/j.bmc.2007.09.003
BindingDB Entry DOI: 10.7270/Q29K4C27
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50223163
PNG
(1-[4-(4,5-dihydroisoxazol-3-yloxy)but-2-yn-1-yl]pi...)
Show SMILES C(OC1=NOCC1)C#CC[NH+]1CCCCC1
Show InChI InChI=1S/C12H18N2O2/c1-2-7-14(8-3-1)9-4-5-10-15-12-6-11-16-13-12/h1-3,6-11H2/p+1
MMDB

Reactome pathway
KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 2.19E+4n/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M3 receptor in guinea-pig ileum


Bioorg Med Chem 15: 7626-37 (2007)


Article DOI: 10.1016/j.bmc.2007.09.003
BindingDB Entry DOI: 10.7270/Q29K4C27
More data for this
Ligand-Target Pair