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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Amine oxidase [flavin-containing] A' and Ligand = 'BDBM15595'   
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
Amine oxidase [flavin-containing] A


(Bos taurus)
BDBM15595
PNG
((2-phenylethyl)(1H-pyrrol-2-ylmethyl)amine | N-(2-...)
Show SMILES C(Cc1ccccc1)NCc1ccc[nH]1
Show InChI InChI=1S/C13H16N2/c1-2-5-12(6-3-1)8-10-14-11-13-7-4-9-15-13/h1-7,9,14-15H,8,10-11H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
20 -45.9n/an/an/an/an/a7.438



Universita di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kinuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 50: 922-31 (2007)


Article DOI: 10.1021/jm060882y
BindingDB Entry DOI: 10.7270/Q2GH9G61
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM15595
PNG
((2-phenylethyl)(1H-pyrrol-2-ylmethyl)amine | N-(2-...)
Show SMILES C(Cc1ccccc1)NCc1ccc[nH]1
Show InChI InChI=1S/C13H16N2/c1-2-5-12(6-3-1)8-10-14-11-13-7-4-9-15-13/h1-7,9,14-15H,8,10-11H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.00E+7n/an/an/an/an/an/an/an/a



Bharati Vidyapeeth Deemed University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A receptor


Bioorg Med Chem Lett 21: 2419-24 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.072
BindingDB Entry DOI: 10.7270/Q2QZ2C6S
More data for this
Ligand-Target Pair