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BDBM50024996 3-Methoxy-5-methyl-4,5,6,7-tetrahydro-isoxazolo[4,5-c]pyridin-5-ium; chloride::CHEMBL440085

SMILES: COc1noc2CC[NH+](C)Cc12

InChI Key: InChIKey=RZHYIWSMOFFQER-UHFFFAOYSA-O

Data: 1 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50024996   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Muscarinic acetylcholine receptor


(RAT)
BDBM50024996
PNG
(3-Methoxy-5-methyl-4,5,6,7-tetrahydro-isoxazolo[4,...)
Show SMILES COc1noc2CC[NH+](C)Cc12
Show InChI InChI=1S/C8H12N2O2/c1-10-4-3-7-6(5-10)8(11-2)9-12-7/h3-5H2,1-2H3/p+1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 2.70E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of binding of radioactive N-propylbenzilycholine mustard ([3H]-PrBCM) to rat brain membranes


J Med Chem 29: 1004-9 (1986)


BindingDB Entry DOI: 10.7270/Q2XP73XW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50024996
PNG
(3-Methoxy-5-methyl-4,5,6,7-tetrahydro-isoxazolo[4,...)
Show SMILES COc1noc2CC[NH+](C)Cc12
Show InChI InChI=1S/C8H12N2O2/c1-10-4-3-7-6(5-10)8(11-2)9-12-7/h3-5H2,1-2H3/p+1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 800n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Contraction of guinea pig ileum by muscarinic AChR activation, which could be inhibited by application of atropine


J Med Chem 29: 1004-9 (1986)


BindingDB Entry DOI: 10.7270/Q2XP73XW
More data for this
Ligand-Target Pair