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BDBM50261815 2-(3,4-dimethoxyphenyl)-3-fluoroprop-2-en-1-amine::CHEMBL445285

SMILES: COc1ccc(cc1OC)C(\CN)=C/F

InChI Key: InChIKey=HLNSVKSSCLHOSW-TWGQIWQCSA-N

Data: 1 KI  2 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 3 hits for monomerid = 50261815   
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
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM50261815
PNG
(2-(3,4-dimethoxyphenyl)-3-fluoroprop-2-en-1-amine ...)
Show SMILES COc1ccc(cc1OC)C(\CN)=C/F
Show InChI InChI=1S/C11H14FNO2/c1-14-10-4-3-8(5-11(10)15-2)9(6-12)7-13/h3-6H,7,13H2,1-2H3/b9-6-
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
2.31E+5n/an/an/an/an/an/an/an/a



Universität Münster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA


Bioorg Med Chem 16: 7148-66 (2008)


Article DOI: 10.1016/j.bmc.2008.06.048
BindingDB Entry DOI: 10.7270/Q2CN73QW
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50261815
PNG
(2-(3,4-dimethoxyphenyl)-3-fluoroprop-2-en-1-amine ...)
Show SMILES COc1ccc(cc1OC)C(\CN)=C/F
Show InChI InChI=1S/C11H14FNO2/c1-14-10-4-3-8(5-11(10)15-2)9(6-12)7-13/h3-6H,7,13H2,1-2H3/b9-6-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat brain mitochondrial Monoamine oxidase


J Med Chem 28: 186-93 (1985)


BindingDB Entry DOI: 10.7270/Q26M3910
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM50261815
PNG
(2-(3,4-dimethoxyphenyl)-3-fluoroprop-2-en-1-amine ...)
Show SMILES COc1ccc(cc1OC)C(\CN)=C/F
Show InChI InChI=1S/C11H14FNO2/c1-14-10-4-3-8(5-11(10)15-2)9(6-12)7-13/h3-6H,7,13H2,1-2H3/b9-6-
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Universität Münster

Curated by ChEMBL


Assay Description
Inhibition of rat CAO


Bioorg Med Chem 16: 7148-66 (2008)


Article DOI: 10.1016/j.bmc.2008.06.048
BindingDB Entry DOI: 10.7270/Q2CN73QW
More data for this
Ligand-Target Pair