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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 = 'BDBM50181853'   
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


(Homo sapiens (Human))
BDBM50181853
PNG
(7-acetonyloxy-3-acetylamino-8-methoxycoumarin | CH...)
Show SMILES COc1c(OCC(C)=O)ccc2cc(NC(C)=O)c(=O)oc12
Show InChI InChI=1S/C15H15NO6/c1-8(17)7-21-12-5-4-10-6-11(16-9(2)18)15(19)22-13(10)14(12)20-3/h4-6H,7H2,1-3H3,(H,16,18)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.31E+3n/an/an/an/an/an/a



University of Santiago de Compostela 15782

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA by fluorimetric method


J Med Chem 51: 6740-51 (2008)


Article DOI: 10.1021/jm800656v
BindingDB Entry DOI: 10.7270/Q2NV9J3H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50181853
PNG
(7-acetonyloxy-3-acetylamino-8-methoxycoumarin | CH...)
Show SMILES COc1c(OCC(C)=O)ccc2cc(NC(C)=O)c(=O)oc12
Show InChI InChI=1S/C15H15NO6/c1-8(17)7-21-12-5-4-10-6-11(16-9(2)18)15(19)22-13(10)14(12)20-3/h4-6H,7H2,1-3H3,(H,16,18)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.43E+3n/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of MAO-A activity


J Med Chem 49: 1149-56 (2006)


Article DOI: 10.1021/jm0509849
BindingDB Entry DOI: 10.7270/Q20864XD
More data for this
Ligand-Target Pair