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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M1/M2/M3/M4/M5' and Ligand = 'BDBM50230006'   
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 M1/M2/M3/M4/M5


(RAT)
BDBM50230006
PNG
(CHEMBL99266)
Show SMILES CN(C(C#CCN1CCCC1)c1ccccc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C17H19F3N2O/c1-21(16(23)17(18,19)20)15(14-8-3-2-4-9-14)10-7-13-22-11-5-6-12-22/h2-4,8-9,15H,5-6,11-13H2,1H3
PDB
MMDB

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KEGG

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CHEMBL
PC cid
PC sid
UniChem

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Similars

PubMed
230n/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)


BindingDB Entry DOI: 10.7270/Q28G8NXX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(Homo sapiens (Human))
BDBM50230006
PNG
(CHEMBL99266)
Show SMILES CN(C(C#CCN1CCCC1)c1ccccc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C17H19F3N2O/c1-21(16(23)17(18,19)20)15(14-8-3-2-4-9-14)10-7-13-22-11-5-6-12-22/h2-4,8-9,15H,5-6,11-13H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/an/a 500n/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)


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