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PubMed code 20382016

Compile data set for download or QSAR
Found 8 hits of Enzyme Inhibition Constant Data   
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))
BDBM15581
PNG
(CHEMBL8706 | CLG | CLORGILINE | Clorgyline | N-[3-...)
Show SMILES CN(CCCOc1ccc(Cl)cc1Cl)CC#C
Show InChI InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3
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Article
PubMed
n/an/a 5.20n/an/an/an/an/an/a



Universit£ Magna Graecia di Catanzaro

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A assessed as inhibition of production of hydrogen peroxide after 15 mins by Amplex Red fluorimetric method


Bioorg Med Chem Lett 20: 2709-12 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.081
BindingDB Entry DOI: 10.7270/Q22V2G80
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM15579
PNG
(CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...)
Show SMILES C[C@H](Cc1ccccc1)N(C)CC#C |r|
Show InChI InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1
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PubMed
n/an/a 17n/an/an/an/an/an/a



Universit£ Magna Graecia di Catanzaro

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B assessed as inhibition of production of hydrogen peroxide after 15 mins by the Amplex Red fluorimetric method


Bioorg Med Chem Lett 20: 2709-12 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.081
BindingDB Entry DOI: 10.7270/Q22V2G80
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50131081
PNG
(4-oxo-4H-chromene-3-carboxylic acid | CHEMBL315361)
Show SMILES OC(=O)c1coc2ccccc2c1=O
Show InChI InChI=1S/C10H6O4/c11-9-6-3-1-2-4-8(6)14-5-7(9)10(12)13/h1-5H,(H,12,13)
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n/an/a 48n/an/an/an/an/an/a



Universit£ Magna Graecia di Catanzaro

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B assessed as inhibition of production of hydrogen peroxide after 15 mins by the Amplex Red fluorimetric method


Bioorg Med Chem Lett 20: 2709-12 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.081
BindingDB Entry DOI: 10.7270/Q22V2G80
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM29136
PNG
(CHEMBL92401 | Euphozid | Iprazid | Iproniazid)
Show SMILES CC(C)NNC(=O)c1ccncc1
Show InChI InChI=1S/C9H13N3O/c1-7(2)11-12-9(13)8-3-5-10-6-4-8/h3-7,11H,1-2H3,(H,12,13)
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PubMed
n/an/a 6.56E+3n/an/an/an/an/an/a



Universit£ Magna Graecia di Catanzaro

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A assessed as inhibition of production of hydrogen peroxide after 15 mins by Amplex Red fluorimetric method


Bioorg Med Chem Lett 20: 2709-12 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.081
BindingDB Entry DOI: 10.7270/Q22V2G80
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM29136
PNG
(CHEMBL92401 | Euphozid | Iprazid | Iproniazid)
Show SMILES CC(C)NNC(=O)c1ccncc1
Show InChI InChI=1S/C9H13N3O/c1-7(2)11-12-9(13)8-3-5-10-6-4-8/h3-7,11H,1-2H3,(H,12,13)
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Article
PubMed
n/an/a 7.54E+3n/an/an/an/an/an/a



Universit£ Magna Graecia di Catanzaro

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B assessed as inhibition of production of hydrogen peroxide after 15 mins by the Amplex Red fluorimetric method


Bioorg Med Chem Lett 20: 2709-12 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.081
BindingDB Entry DOI: 10.7270/Q22V2G80
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM15581
PNG
(CHEMBL8706 | CLG | CLORGILINE | Clorgyline | N-[3-...)
Show SMILES CN(CCCOc1ccc(Cl)cc1Cl)CC#C
Show InChI InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3
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PubMed
n/an/a 6.34E+4n/an/an/an/an/an/a



Universit£ Magna Graecia di Catanzaro

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B assessed as inhibition of production of hydrogen peroxide after 15 mins by the Amplex Red fluorimetric method


Bioorg Med Chem Lett 20: 2709-12 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.081
BindingDB Entry DOI: 10.7270/Q22V2G80
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM15579
PNG
(CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...)
Show SMILES C[C@H](Cc1ccccc1)N(C)CC#C |r|
Show InChI InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1
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Article
PubMed
n/an/a 6.87E+4n/an/an/an/an/an/a



Universit£ Magna Graecia di Catanzaro

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A assessed as inhibition of production of hydrogen peroxide after 15 mins by Amplex Red fluorimetric method


Bioorg Med Chem Lett 20: 2709-12 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.081
BindingDB Entry DOI: 10.7270/Q22V2G80
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM15613
PNG
(4-chloro-N-(2-morpholin-4-ylethyl)benzamide | 4-ch...)
Show SMILES Clc1ccc(cc1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C13H17ClN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)
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PubMed
n/an/a 3.61E+5n/an/an/an/an/an/a



Universit£ Magna Graecia di Catanzaro

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A assessed as inhibition of production of hydrogen peroxide after 15 mins by Amplex Red fluorimetric method


Bioorg Med Chem Lett 20: 2709-12 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.081
BindingDB Entry DOI: 10.7270/Q22V2G80
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%