BindingDB logo
myBDB logout

BDBM50024981 3-But-2-enyloxy-4,5,6,7-tetrahydro-isoxazolo[4,5-c]pyridin-5-ium; chloride::CHEMBL6375

SMILES: C\C=C\COc1noc2CC[NH2+]Cc12

InChI Key: InChIKey=ZUHJBGWBSGQTQF-NSCUHMNNSA-O

Data: 2 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 3 hits for monomerid = 50024981   
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 M3


(Homo sapiens (Human))
BDBM50024981
PNG
(3-But-2-enyloxy-4,5,6,7-tetrahydro-isoxazolo[4,5-c...)
Show SMILES C\C=C\COc1noc2CC[NH2+]Cc12
Show InChI InChI=1S/C10H14N2O2/c1-2-3-6-13-10-8-7-11-5-4-9(8)14-12-10/h2-3,11H,4-7H2,1H3/p+1/b3-2+
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>5.00E+4n/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)


Article DOI: 10.1021/jm00156a018
BindingDB Entry DOI: 10.7270/Q2XP73XW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50024981
PNG
(3-But-2-enyloxy-4,5,6,7-tetrahydro-isoxazolo[4,5-c...)
Show SMILES C\C=C\COc1noc2CC[NH2+]Cc12
Show InChI InChI=1S/C10H14N2O2/c1-2-3-6-13-10-8-7-11-5-4-9(8)14-12-10/h2-3,11H,4-7H2,1H3/p+1/b3-2+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.40E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of Angiotensin I converting enzyme activity in rabbit lung


J Med Chem 29: 1004-9 (1986)


Article DOI: 10.1021/jm00156a018
BindingDB Entry DOI: 10.7270/Q2XP73XW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50024981
PNG
(3-But-2-enyloxy-4,5,6,7-tetrahydro-isoxazolo[4,5-c...)
Show SMILES C\C=C\COc1noc2CC[NH2+]Cc12
Show InChI InChI=1S/C10H14N2O2/c1-2-3-6-13-10-8-7-11-5-4-9(8)14-12-10/h2-3,11H,4-7H2,1H3/p+1/b3-2+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of Angiotensin I converting enzyme activity in rabbit lung


J Med Chem 29: 1004-9 (1986)


Article DOI: 10.1021/jm00156a018
BindingDB Entry DOI: 10.7270/Q2XP73XW
More data for this
Ligand-Target Pair