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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor' and Ligand = 'BDBM50230008'   
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


(RAT)
BDBM50230008
PNG
(CHEMBL318528)
Show SMILES O=C1CC(CN1CC#CCN1CCCC1)c1ccccc1
Show InChI InChI=1/C18H22N2O/c21-18-14-17(16-8-2-1-3-9-16)15-20(18)13-7-6-12-19-10-4-5-11-19/h1-3,8-9,17H,4-5,10-15H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.77E+3n/an/an/an/an/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Inhibition of [3H]N-methylscopolamine binding to muscarinic acetylcholine receptor of rat cerebral cortex.


J Med Chem 35: 285-94 (1992)


Article DOI: 10.1021/jm00080a013
BindingDB Entry DOI: 10.7270/Q28G8NXX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50230008
PNG
(CHEMBL318528)
Show SMILES O=C1CC(CN1CC#CCN1CCCC1)c1ccccc1
Show InChI InChI=1/C18H22N2O/c21-18-14-17(16-8-2-1-3-9-16)15-20(18)13-7-6-12-19-10-4-5-11-19/h1-3,8-9,17H,4-5,10-15H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 1.52E+4n/an/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Determination of dissociation constant from antimuscarinic activity on isolated guinea pig ileum.


J Med Chem 35: 285-94 (1992)


Article DOI: 10.1021/jm00080a013
BindingDB Entry DOI: 10.7270/Q28G8NXX
More data for this
Ligand-Target Pair