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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Amine oxidase [flavin-containing] A' and Ligand = 'BDBM50276157'   
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))
BDBM50276157
PNG
(Alternariol 5-O-Methyl Ether | CHEMBL483526)
Show SMILES COc1cc(O)c2c(c1)c1c(C)cc(O)cc1oc2=O
Show InChI InChI=1S/C15H12O5/c1-7-3-8(16)4-12-13(7)10-5-9(19-2)6-11(17)14(10)15(18)20-12/h3-6,16-17H,1-2H3
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
340n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50276157
PNG
(Alternariol 5-O-Methyl Ether | CHEMBL483526)
Show SMILES COc1cc(O)c2c(c1)c1c(C)cc(O)cc1oc2=O
Show InChI InChI=1S/C15H12O5/c1-7-3-8(16)4-12-13(7)10-5-9(19-2)6-11(17)14(10)15(18)20-12/h3-6,16-17H,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
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MCE
PC cid
PC sid
UniChem
n/an/a 1.71E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50276157
PNG
(Alternariol 5-O-Methyl Ether | CHEMBL483526)
Show SMILES COc1cc(O)c2c(c1)c1c(C)cc(O)cc1oc2=O
Show InChI InChI=1S/C15H12O5/c1-7-3-8(16)4-12-13(7)10-5-9(19-2)6-11(17)14(10)15(18)20-12/h3-6,16-17H,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.71E+3n/an/an/an/an/an/a



Sunchon National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A using kynuramine as substrate incubated for 10 mins by spectrophotometric method


Bioorg Med Chem Lett 28: 2403-2407 (2018)


Article DOI: 10.1016/j.bmcl.2018.06.023
BindingDB Entry DOI: 10.7270/Q23R0WCT
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50276157
PNG
(Alternariol 5-O-Methyl Ether | CHEMBL483526)
Show SMILES COc1cc(O)c2c(c1)c1c(C)cc(O)cc1oc2=O
Show InChI InChI=1S/C15H12O5/c1-7-3-8(16)4-12-13(7)10-5-9(19-2)6-11(17)14(10)15(18)20-12/h3-6,16-17H,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.71E+3n/an/an/an/an/an/a



Sunchon National University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA using kynuramine as substrate preincubated for 30 mins followed by substrate addition


Bioorg Med Chem Lett 28: 584-588 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.049
BindingDB Entry DOI: 10.7270/Q25T3P2R
More data for this
Ligand-Target Pair