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PubMed code 20702005

Compile data set for download or QSAR
Found 17 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 4.46n/an/an/an/an/an/a



Dipartimento Farmaco Chimico Tecnologico

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA expressed in baculovirus infected BTI insect cells assessed as hydrogen peroxide production after 15 mins by Amp...


Eur J Med Chem 45: 4490-8 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.009
BindingDB Entry DOI: 10.7270/Q2FT8M7J
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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n/an/a 19.6n/an/an/an/an/an/a



Dipartimento Farmaco Chimico Tecnologico

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus infected BTI insect cells assessed as hydrogen peroxide production after 15 mins by Amp...


Eur J Med Chem 45: 4490-8 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.009
BindingDB Entry DOI: 10.7270/Q2FT8M7J
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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n/an/a 6.56E+3n/an/an/an/an/an/a



Dipartimento Farmaco Chimico Tecnologico

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA expressed in baculovirus infected BTI insect cells assessed as hydrogen peroxide production after 15 mins by Amp...


Eur J Med Chem 45: 4490-8 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.009
BindingDB Entry DOI: 10.7270/Q2FT8M7J
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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n/an/a 7.54E+3n/an/an/an/an/an/a



Dipartimento Farmaco Chimico Tecnologico

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus infected BTI insect cells assessed as hydrogen peroxide production after 15 mins by Amp...


Eur J Med Chem 45: 4490-8 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.009
BindingDB Entry DOI: 10.7270/Q2FT8M7J
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50326896
PNG
(1-(N-Methylthiocarbamoyl)-3-(4-methoxyphenyl)-4,5-...)
Show SMILES CNC(=S)N1CCC(=N1)c1ccc(OC)cc1 |c:7|
Show InChI InChI=1S/C12H15N3OS/c1-13-12(17)15-8-7-11(14-15)9-3-5-10(16-2)6-4-9/h3-6H,7-8H2,1-2H3,(H,13,17)
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n/an/a 1.37E+4n/an/an/an/an/an/a



Dipartimento Farmaco Chimico Tecnologico

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus infected BTI insect cells assessed as hydrogen peroxide production after 15 mins by Amp...


Eur J Med Chem 45: 4490-8 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.009
BindingDB Entry DOI: 10.7270/Q2FT8M7J
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50326891
PNG
(1-Thiocarbamoyl-3-(4-methoxyphenyl)-4,5-dihydropyr...)
Show SMILES COc1ccc(cc1)C1=NN(CC1)C(N)=S |t:9|
Show InChI InChI=1S/C11H13N3OS/c1-15-9-4-2-8(3-5-9)10-6-7-14(13-10)11(12)16/h2-5H,6-7H2,1H3,(H2,12,16)
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n/an/a 1.55E+4n/an/an/an/an/an/a



Dipartimento Farmaco Chimico Tecnologico

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus infected BTI insect cells assessed as hydrogen peroxide production after 15 mins by Amp...


Eur J Med Chem 45: 4490-8 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.009
BindingDB Entry DOI: 10.7270/Q2FT8M7J
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50326897
PNG
(1-(N-Methylthiocarbamoyl)-3-(4-methylphenyl)-4,5-d...)
Show SMILES CNC(=S)N1CCC(=N1)c1ccc(C)cc1 |c:7|
Show InChI InChI=1S/C12H15N3S/c1-9-3-5-10(6-4-9)11-7-8-15(14-11)12(16)13-2/h3-6H,7-8H2,1-2H3,(H,13,16)
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n/an/a 1.68E+4n/an/an/an/an/an/a



Dipartimento Farmaco Chimico Tecnologico

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus infected BTI insect cells assessed as hydrogen peroxide production after 15 mins by Amp...


Eur J Med Chem 45: 4490-8 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.009
BindingDB Entry DOI: 10.7270/Q2FT8M7J
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50326892
PNG
(1-Thiocarbamoyl-3-(4-methylphenyl)-4,5-dihydropyra...)
Show SMILES Cc1ccc(cc1)C1=NN(CC1)C(N)=S |t:8|
Show InChI InChI=1S/C11H13N3S/c1-8-2-4-9(5-3-8)10-6-7-14(13-10)11(12)15/h2-5H,6-7H2,1H3,(H2,12,15)
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n/an/a 1.81E+4n/an/an/an/an/an/a



Dipartimento Farmaco Chimico Tecnologico

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus infected BTI insect cells assessed as hydrogen peroxide production after 15 mins by Amp...


Eur J Med Chem 45: 4490-8 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.009
BindingDB Entry DOI: 10.7270/Q2FT8M7J
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50326900
PNG
(1-(N-Methylthiocarbamoyl)-3-(4-chlorophenyl)-4-met...)
Show SMILES CNC(=S)N1CC(C)C(=N1)c1ccc(Cl)cc1 |c:8|
Show InChI InChI=1S/C12H14ClN3S/c1-8-7-16(12(17)14-2)15-11(8)9-3-5-10(13)6-4-9/h3-6,8H,7H2,1-2H3,(H,14,17)
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n/an/a 3.48E+4n/an/an/an/an/an/a



Dipartimento Farmaco Chimico Tecnologico

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus infected BTI insect cells assessed as hydrogen peroxide production after 15 mins by Amp...


Eur J Med Chem 45: 4490-8 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.009
BindingDB Entry DOI: 10.7270/Q2FT8M7J
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50326898
PNG
(1-(N-Methylthiocarbamoyl)-3-(4-methoxyphenyl)-4-me...)
Show SMILES CNC(=S)N1CC(C)C(=N1)c1ccc(OC)cc1 |c:8|
Show InChI InChI=1S/C13H17N3OS/c1-9-8-16(13(18)14-2)15-12(9)10-4-6-11(17-3)7-5-10/h4-7,9H,8H2,1-3H3,(H,14,18)
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n/an/a 4.94E+4n/an/an/an/an/an/a



Dipartimento Farmaco Chimico Tecnologico

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus infected BTI insect cells assessed as hydrogen peroxide production after 15 mins by Amp...


Eur J Med Chem 45: 4490-8 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.009
BindingDB Entry DOI: 10.7270/Q2FT8M7J
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50326893
PNG
(1-(N-Methylthiocarbamoyl)-3-(4-fluorophenyl)-4,5-d...)
Show SMILES CNC(=S)N1CCC(=N1)c1ccc(F)cc1 |c:7|
Show InChI InChI=1S/C11H12FN3S/c1-13-11(16)15-7-6-10(14-15)8-2-4-9(12)5-3-8/h2-5H,6-7H2,1H3,(H,13,16)
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n/an/a 5.10E+4n/an/an/an/an/an/a



Dipartimento Farmaco Chimico Tecnologico

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus infected BTI insect cells assessed as hydrogen peroxide production after 15 mins by Amp...


Eur J Med Chem 45: 4490-8 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.009
BindingDB Entry DOI: 10.7270/Q2FT8M7J
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50326894
PNG
(1-(N-Methylthiocarbamoyl)-3-(3-methylphenyl)-4,5-d...)
Show SMILES CNC(=S)N1CCC(=N1)c1cccc(C)c1 |c:7|
Show InChI InChI=1S/C12H15N3S/c1-9-4-3-5-10(8-9)11-6-7-15(14-11)12(16)13-2/h3-5,8H,6-7H2,1-2H3,(H,13,16)
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n/an/a 5.34E+4n/an/an/an/an/an/a



Dipartimento Farmaco Chimico Tecnologico

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus infected BTI insect cells assessed as hydrogen peroxide production after 15 mins by Amp...


Eur J Med Chem 45: 4490-8 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.009
BindingDB Entry DOI: 10.7270/Q2FT8M7J
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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n/an/a 6.14E+4n/an/an/an/an/an/a



Dipartimento Farmaco Chimico Tecnologico

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus infected BTI insect cells assessed as hydrogen peroxide production after 15 mins by Amp...


Eur J Med Chem 45: 4490-8 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.009
BindingDB Entry DOI: 10.7270/Q2FT8M7J
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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n/an/a 6.73E+4n/an/an/an/an/an/a



Dipartimento Farmaco Chimico Tecnologico

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA expressed in baculovirus infected BTI insect cells assessed as hydrogen peroxide production after 15 mins by Amp...


Eur J Med Chem 45: 4490-8 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.009
BindingDB Entry DOI: 10.7270/Q2FT8M7J
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50326895
PNG
(1-(N-Methylthiocarbamoyl)-3-(3-methoxyphenyl)-4,5-...)
Show SMILES CNC(=S)N1CCC(=N1)c1cccc(OC)c1 |c:7|
Show InChI InChI=1S/C12H15N3OS/c1-13-12(17)15-7-6-11(14-15)9-4-3-5-10(8-9)16-2/h3-5,8H,6-7H2,1-2H3,(H,13,17)
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n/an/a 7.13E+4n/an/an/an/an/an/a



Dipartimento Farmaco Chimico Tecnologico

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus infected BTI insect cells assessed as hydrogen peroxide production after 15 mins by Amp...


Eur J Med Chem 45: 4490-8 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.009
BindingDB Entry DOI: 10.7270/Q2FT8M7J
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50326899
PNG
(1-Thiocarbamoyl-3-(4-methoxyphenyl)-4-methyl-4,5-d...)
Show SMILES COc1ccc(cc1)C1=NN(CC1C)C(N)=S |t:9|
Show InChI InChI=1S/C12H15N3OS/c1-8-7-15(12(13)17)14-11(8)9-3-5-10(16-2)6-4-9/h3-6,8H,7H2,1-2H3,(H2,13,17)
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n/an/a 8.46E+4n/an/an/an/an/an/a



Dipartimento Farmaco Chimico Tecnologico

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus infected BTI insect cells assessed as hydrogen peroxide production after 15 mins by Amp...


Eur J Med Chem 45: 4490-8 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.009
BindingDB Entry DOI: 10.7270/Q2FT8M7J
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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n/an/a 3.61E+5n/an/an/an/an/an/a



Dipartimento Farmaco Chimico Tecnologico

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA expressed in baculovirus infected BTI insect cells assessed as hydrogen peroxide production after 15 mins by Amp...


Eur J Med Chem 45: 4490-8 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.009
BindingDB Entry DOI: 10.7270/Q2FT8M7J
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%