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BDBM50161131 CHEMBL536951::[3-(benzyloxy)-5-ethoxypyridin-4-yl]methylamine dihydrochloride

SMILES: CCOc1cncc(OCc2ccccc2)c1CN

InChI Key: InChIKey=SJUWAMBIKIGZNY-UHFFFAOYSA-N

Data: 5 IC50

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 5 hits for monomerid = 50161131   
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
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50161131
PNG
(CHEMBL536951 | [3-(benzyloxy)-5-ethoxypyridin-4-yl...)
Show SMILES CCOc1cncc(OCc2ccccc2)c1CN
Show InChI InChI=1S/C15H18N2O2/c1-2-18-14-9-17-10-15(13(14)8-16)19-11-12-6-4-3-5-7-12/h3-7,9-10H,2,8,11,16H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+6n/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Inhibitory concentration for rat liver Monoamine oxidase B using beta-phenylethylamine


J Med Chem 48: 664-70 (2005)


Article DOI: 10.1021/jm0408316
BindingDB Entry DOI: 10.7270/Q2GF0V9T
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50161131
PNG
(CHEMBL536951 | [3-(benzyloxy)-5-ethoxypyridin-4-yl...)
Show SMILES CCOc1cncc(OCc2ccccc2)c1CN
Show InChI InChI=1S/C15H18N2O2/c1-2-18-14-9-17-10-15(13(14)8-16)19-11-12-6-4-3-5-7-12/h3-7,9-10H,2,8,11,16H2,1H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.30E+5n/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Inhibitory concentration for rat liver Monoamine oxidase A using 5-hydroxytryptamine


J Med Chem 48: 664-70 (2005)


Article DOI: 10.1021/jm0408316
BindingDB Entry DOI: 10.7270/Q2GF0V9T
More data for this
Ligand-Target Pair
Diamine oxidase (DAO)


(Homo sapiens (Human))
BDBM50161131
PNG
(CHEMBL536951 | [3-(benzyloxy)-5-ethoxypyridin-4-yl...)
Show SMILES CCOc1cncc(OCc2ccccc2)c1CN
Show InChI InChI=1S/C15H18N2O2/c1-2-18-14-9-17-10-15(13(14)8-16)19-11-12-6-4-3-5-7-12/h3-7,9-10H,2,8,11,16H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Inhibition of putrescine binding to against Diamine oxidase of porcine kidney


J Med Chem 48: 664-70 (2005)


Article DOI: 10.1021/jm0408316
BindingDB Entry DOI: 10.7270/Q2GF0V9T
More data for this
Ligand-Target Pair
Lysyl oxidase


(Homo sapiens (Human))
BDBM50161131
PNG
(CHEMBL536951 | [3-(benzyloxy)-5-ethoxypyridin-4-yl...)
Show SMILES CCOc1cncc(OCc2ccccc2)c1CN
Show InChI InChI=1S/C15H18N2O2/c1-2-18-14-9-17-10-15(13(14)8-16)19-11-12-6-4-3-5-7-12/h3-7,9-10H,2,8,11,16H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Inhibition of protein-bound lysine binding to Lysyl oxidase of porcine aorta


J Med Chem 48: 664-70 (2005)


Article DOI: 10.1021/jm0408316
BindingDB Entry DOI: 10.7270/Q2GF0V9T
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM50161131
PNG
(CHEMBL536951 | [3-(benzyloxy)-5-ethoxypyridin-4-yl...)
Show SMILES CCOc1cncc(OCc2ccccc2)c1CN
Show InChI InChI=1S/C15H18N2O2/c1-2-18-14-9-17-10-15(13(14)8-16)19-11-12-6-4-3-5-7-12/h3-7,9-10H,2,8,11,16H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Inhibition of benzylamine binding to Benzylamine oxidase of porcine serum


J Med Chem 48: 664-70 (2005)


Article DOI: 10.1021/jm0408316
BindingDB Entry DOI: 10.7270/Q2GF0V9T
More data for this
Ligand-Target Pair