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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 = 50223176   
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))
BDBM50223176
PNG
(1-[4-(4,5-dihydroisoxazol-3-yloxy)but-2-yn-1-yl]pi...)
Show SMILES C[N+]1(CC#CCOC2=NOCC2)CCCCC1
Show InChI InChI=1S/C13H21N2O2/c1-15(8-3-2-4-9-15)10-5-6-11-16-13-7-12-17-14-13/h2-4,7-12H2,1H3/q+1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.74E+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)
BDBM50223176
PNG
(1-[4-(4,5-dihydroisoxazol-3-yloxy)but-2-yn-1-yl]pi...)
Show SMILES C[N+]1(CC#CCOC2=NOCC2)CCCCC1
Show InChI InChI=1S/C13H21N2O2/c1-15(8-3-2-4-9-15)10-5-6-11-16-13-7-12-17-14-13/h2-4,7-12H2,1H3/q+1
MMDB

Reactome pathway
KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 295n/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