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Compile Data Set for Download or QSAR

Found 78 hits Enz. Inhib. hit(s) with all data for entry = 50032260   
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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n/an/a 4.46n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA expressed in baculovirus infected insect BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-t...


J Med Chem 53: 6516-20 (2010)


Article DOI: 10.1021/jm100120s
BindingDB Entry DOI: 10.7270/Q26H4HNW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50272907
PNG
((R)-1-(2-methylcyclohexylidene)-2-(4-(4-nitropheny...)
Show SMILES C[C@@H]1CCCCC1=NNc1nc(cs1)-c1ccc(cc1)[N+]([O-])=O |r,w:7.8|
Show InChI InChI=1S/C16H18N4O2S/c1-11-4-2-3-5-14(11)18-19-16-17-15(10-23-16)12-6-8-13(9-7-12)20(21)22/h6-11H,2-5H2,1H3,(H,17,19)/t11-/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus infected insect BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-t...


J Med Chem 53: 6516-20 (2010)


Article DOI: 10.1021/jm100120s
BindingDB Entry DOI: 10.7270/Q26H4HNW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50272829
PNG
((+/-)-1-(4-(2,4-difluorophenyl)thiazol-2-yl)-2-(2-...)
Show SMILES CC1CCCCC1=NNc1nc(cs1)-c1ccc(F)cc1F |w:7.8|
Show InChI InChI=1S/C16H17F2N3S/c1-10-4-2-3-5-14(10)20-21-16-19-15(9-22-16)12-7-6-11(17)8-13(12)18/h6-10H,2-5H2,1H3,(H,19,21)
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n/an/a 14n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus infected insect BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-t...


J Med Chem 53: 6516-20 (2010)


Article DOI: 10.1021/jm100120s
BindingDB Entry DOI: 10.7270/Q26H4HNW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50272867
PNG
((S)-1-(2-methylcyclohexylidene)-2-(4-(4-nitropheny...)
Show SMILES C[C@H]1CCCCC1=NNc1nc(cs1)-c1ccc(cc1)[N+]([O-])=O |r,w:7.8|
Show InChI InChI=1S/C16H18N4O2S/c1-11-4-2-3-5-14(11)18-19-16-17-15(10-23-16)12-6-8-13(9-7-12)20(21)22/h6-11H,2-5H2,1H3,(H,17,19)/t11-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus infected insect BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-t...


J Med Chem 53: 6516-20 (2010)


Article DOI: 10.1021/jm100120s
BindingDB Entry DOI: 10.7270/Q26H4HNW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50326344
PNG
((R)-4-(2,4-difluorophenyl)-2-(2-(3-methylcyclohexy...)
Show SMILES C[C@@H]1CCCC(C1)=NNc1nc(cs1)-c1ccc(F)cc1F |r,w:7.8|
Show InChI InChI=1S/C16H17F2N3S/c1-10-3-2-4-12(7-10)20-21-16-19-15(9-22-16)13-6-5-11(17)8-14(13)18/h5-6,8-10H,2-4,7H2,1H3,(H,19,21)/t10-/m1/s1
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n/an/a 18n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus infected insect BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-t...


J Med Chem 53: 6516-20 (2010)


Article DOI: 10.1021/jm100120s
BindingDB Entry DOI: 10.7270/Q26H4HNW
More data for this
Ligand-Target Pair
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 20n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus infected insect BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-t...


J Med Chem 53: 6516-20 (2010)


Article DOI: 10.1021/jm100120s
BindingDB Entry DOI: 10.7270/Q26H4HNW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50272864
PNG
((R)-1-(4-(4-fluorophenyl)thiazol-2-yl)-2-(2-methyl...)
Show SMILES C[C@@H]1CCCCC1=NNc1nc(cs1)-c1ccc(F)cc1 |r,w:7.8|
Show InChI InChI=1S/C16H18FN3S/c1-11-4-2-3-5-14(11)19-20-16-18-15(10-21-16)12-6-8-13(17)9-7-12/h6-11H,2-5H2,1H3,(H,18,20)/t11-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus infected insect BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-t...


J Med Chem 53: 6516-20 (2010)


Article DOI: 10.1021/jm100120s
BindingDB Entry DOI: 10.7270/Q26H4HNW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50272832
PNG
((+/-)-4-(2-{N'-[2-Methyl-cyclohexylidene]-hydrazin...)
Show SMILES CC1CCCCC1=NNc1nc(cs1)-c1ccc(cc1)C#N |w:7.8|
Show InChI InChI=1S/C17H18N4S/c1-12-4-2-3-5-15(12)20-21-17-19-16(11-22-17)14-8-6-13(10-18)7-9-14/h6-9,11-12H,2-5H2,1H3,(H,19,21)
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n/an/a 26n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus infected insect BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-t...


J Med Chem 53: 6516-20 (2010)


Article DOI: 10.1021/jm100120s
BindingDB Entry DOI: 10.7270/Q26H4HNW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50272866
PNG
(1-(4-(2,4-difluorophenyl)thiazol-2-yl)-2-((R)-2-me...)
Show SMILES C[C@@H]1CCCCC1=NNc1nc(cs1)-c1ccc(F)cc1F |r,w:7.8|
Show InChI InChI=1S/C16H17F2N3S/c1-10-4-2-3-5-14(10)20-21-16-19-15(9-22-16)12-7-6-11(17)8-13(12)18/h6-10H,2-5H2,1H3,(H,19,21)/t10-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus infected insect BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-t...


J Med Chem 53: 6516-20 (2010)


Article DOI: 10.1021/jm100120s
BindingDB Entry DOI: 10.7270/Q26H4HNW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50272907
PNG
((R)-1-(2-methylcyclohexylidene)-2-(4-(4-nitropheny...)
Show SMILES C[C@@H]1CCCCC1=NNc1nc(cs1)-c1ccc(cc1)[N+]([O-])=O |r,w:7.8|
Show InChI InChI=1S/C16H18N4O2S/c1-11-4-2-3-5-14(11)18-19-16-17-15(10-23-16)12-6-8-13(9-7-12)20(21)22/h6-11H,2-5H2,1H3,(H,17,19)/t11-/m1/s1
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n/an/a 32n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus infected insect BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-t...


J Med Chem 53: 6516-20 (2010)


Article DOI: 10.1021/jm100120s
BindingDB Entry DOI: 10.7270/Q26H4HNW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50272909
PNG
(4-(2-{N'-[(R)-2-Methyl-cyclohexylidene]-hydrazino}...)
Show SMILES C[C@@H]1CCCCC1=NNc1nc(cs1)-c1ccc(cc1)C#N |r,w:7.8|
Show InChI InChI=1S/C17H18N4S/c1-12-4-2-3-5-15(12)20-21-17-19-16(11-22-17)14-8-6-13(10-18)7-9-14/h6-9,11-12H,2-5H2,1H3,(H,19,21)/t12-/m1/s1
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n/an/a 32n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus infected insect BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-t...


J Med Chem 53: 6516-20 (2010)


Article DOI: 10.1021/jm100120s
BindingDB Entry DOI: 10.7270/Q26H4HNW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50272865
PNG
(1-(4-(2,4-difluorophenyl)thiazol-2-yl)-2-((S)-2-me...)
Show SMILES C[C@H]1CCCCC1=NNc1nc(cs1)-c1ccc(F)cc1F |r,w:7.8|
Show InChI InChI=1S/C16H17F2N3S/c1-10-4-2-3-5-14(10)20-21-16-19-15(9-22-16)12-7-6-11(17)8-13(12)18/h6-10H,2-5H2,1H3,(H,19,21)/t10-/m0/s1
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n/an/a 36n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus infected insect BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-t...


J Med Chem 53: 6516-20 (2010)


Article DOI: 10.1021/jm100120s
BindingDB Entry DOI: 10.7270/Q26H4HNW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50272863
PNG
((S)-1-(4-(4-fluorophenyl)thiazol-2-yl)-2-(2-methyl...)
Show SMILES C[C@H]1CCCCC1=NNc1nc(cs1)-c1ccc(F)cc1 |r,w:7.8|
Show InChI InChI=1S/C16H18FN3S/c1-11-4-2-3-5-14(11)19-20-16-18-15(10-21-16)12-6-8-13(17)9-7-12/h6-11H,2-5H2,1H3,(H,18,20)/t11-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus infected insect BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-t...


J Med Chem 53: 6516-20 (2010)


Article DOI: 10.1021/jm100120s
BindingDB Entry DOI: 10.7270/Q26H4HNW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50326343
PNG
(4-(2,4-difluorophenyl)-2-(2-(3-methylcyclohexylide...)
Show SMILES CC1CCCC(C1)=NNc1nc(cs1)-c1ccc(F)cc1F |w:7.8|
Show InChI InChI=1S/C16H17F2N3S/c1-10-3-2-4-12(7-10)20-21-16-19-15(9-22-16)13-6-5-11(17)8-14(13)18/h5-6,8-10H,2-4,7H2,1H3,(H,19,21)
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n/an/a 56n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus infected insect BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-t...


J Med Chem 53: 6516-20 (2010)


Article DOI: 10.1021/jm100120s
BindingDB Entry DOI: 10.7270/Q26H4HNW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50272908
PNG
(4-(2-{N'-[(S)-2-Methyl-cyclohexylidene]-hydrazino}...)
Show SMILES C[C@H]1CCCCC1=NNc1nc(cs1)-c1ccc(cc1)C#N |r,w:7.8|
Show InChI InChI=1S/C17H18N4S/c1-12-4-2-3-5-15(12)20-21-17-19-16(11-22-17)14-8-6-13(10-18)7-9-14/h6-9,11-12H,2-5H2,1H3,(H,19,21)/t12-/m0/s1
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n/an/a 63n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus infected insect BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-t...


J Med Chem 53: 6516-20 (2010)


Article DOI: 10.1021/jm100120s
BindingDB Entry DOI: 10.7270/Q26H4HNW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50326369
PNG
((R)-2-(2-(3-methylcyclohexylidene)hydrazinyl)-4-(4...)
Show SMILES C[C@@H]1CCCC(C1)=NNc1nc(cs1)-c1ccc(cc1)[N+]([O-])=O |r,w:7.8|
Show InChI InChI=1S/C16H18N4O2S/c1-11-3-2-4-13(9-11)18-19-16-17-15(10-23-16)12-5-7-14(8-6-12)20(21)22/h5-8,10-11H,2-4,9H2,1H3,(H,17,19)/t11-/m1/s1
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n/an/a 86n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus infected insect BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-t...


J Med Chem 53: 6516-20 (2010)


Article DOI: 10.1021/jm100120s
BindingDB Entry DOI: 10.7270/Q26H4HNW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50326348
PNG
(4-(2-(2-(3-methylcyclohexylidene)hydrazinyl)thiazo...)
Show SMILES CC1CCCC(C1)=NNc1nc(cs1)-c1ccc(cc1)C#N |w:7.8|
Show InChI InChI=1S/C17H18N4S/c1-12-3-2-4-15(9-12)20-21-17-19-16(11-22-17)14-7-5-13(10-18)6-8-14/h5-8,11-12H,2-4,9H2,1H3,(H,19,21)
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n/an/a 120n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus infected insect BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-t...


J Med Chem 53: 6516-20 (2010)


Article DOI: 10.1021/jm100120s
BindingDB Entry DOI: 10.7270/Q26H4HNW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50272830
PNG
((+/-)-1-(2-methylcyclohexylidene)-2-(4-p-tolylthia...)
Show SMILES CC1CCCCC1=NNc1nc(cs1)-c1ccc(C)cc1 |w:7.8|
Show InChI InChI=1S/C17H21N3S/c1-12-7-9-14(10-8-12)16-11-21-17(18-16)20-19-15-6-4-3-5-13(15)2/h7-11,13H,3-6H2,1-2H3,(H,18,20)
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n/an/a 142n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus infected insect BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-t...


J Med Chem 53: 6516-20 (2010)


Article DOI: 10.1021/jm100120s
BindingDB Entry DOI: 10.7270/Q26H4HNW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50326367
PNG
((R)-2-(2-(3-methylcyclohexylidene)hydrazinyl)-4-p-...)
Show SMILES C[C@@H]1CCCC(C1)=NNc1nc(cs1)-c1ccc(C)cc1 |r,w:7.8|
Show InChI InChI=1S/C17H21N3S/c1-12-6-8-14(9-7-12)16-11-21-17(18-16)20-19-15-5-3-4-13(2)10-15/h6-9,11,13H,3-5,10H2,1-2H3,(H,18,20)/t13-/m1/s1
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n/an/a 150n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus infected insect BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-t...


J Med Chem 53: 6516-20 (2010)


Article DOI: 10.1021/jm100120s
BindingDB Entry DOI: 10.7270/Q26H4HNW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50272794
PNG
((+/-)-1-(4-(4-fluorophenyl)thiazol-2-yl)-2-(2-meth...)
Show SMILES CC1CCCCC1=NNc1nc(cs1)-c1ccc(F)cc1 |w:7.8|
Show InChI InChI=1S/C16H18FN3S/c1-11-4-2-3-5-14(11)19-20-16-18-15(10-21-16)12-6-8-13(17)9-7-12/h6-11H,2-5H2,1H3,(H,18,20)
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n/an/a 200n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus infected insect BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-t...


J Med Chem 53: 6516-20 (2010)


Article DOI: 10.1021/jm100120s
BindingDB Entry DOI: 10.7270/Q26H4HNW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50326370
PNG
((S)-2-(2-(3-methylcyclohexylidene)hydrazinyl)-4-(4...)
Show SMILES C[C@H]1CCCC(C1)=NNc1nc(cs1)-c1ccc(cc1)[N+]([O-])=O |r,w:7.8|
Show InChI InChI=1S/C16H18N4O2S/c1-11-3-2-4-13(9-11)18-19-16-17-15(10-23-16)12-5-7-14(8-6-12)20(21)22/h5-8,10-11H,2-4,9H2,1H3,(H,17,19)/t11-/m0/s1
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n/an/a 210n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus infected insect BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-t...


J Med Chem 53: 6516-20 (2010)


Article DOI: 10.1021/jm100120s
BindingDB Entry DOI: 10.7270/Q26H4HNW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50326349
PNG
((R)-4-(2-(2-(3-methylcyclohexylidene)hydrazinyl)th...)
Show SMILES C[C@@H]1CCCC(C1)=NNc1nc(cs1)-c1ccc(cc1)C#N |r,w:7.8|
Show InChI InChI=1S/C17H18N4S/c1-12-3-2-4-15(9-12)20-21-17-19-16(11-22-17)14-7-5-13(10-18)6-8-14/h5-8,11-12H,2-4,9H2,1H3,(H,19,21)/t12-/m1/s1
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n/an/a 230n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus infected insect BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-t...


J Med Chem 53: 6516-20 (2010)


Article DOI: 10.1021/jm100120s
BindingDB Entry DOI: 10.7270/Q26H4HNW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50326345
PNG
((S)-4-(2,4-difluorophenyl)-2-(2-(3-methylcyclohexy...)
Show SMILES C[C@H]1CCCC(C1)=NNc1nc(cs1)-c1ccc(F)cc1F |r,w:7.8|
Show InChI InChI=1S/C16H17F2N3S/c1-10-3-2-4-12(7-10)20-21-16-19-15(9-22-16)13-6-5-11(17)8-14(13)18/h5-6,8-10H,2-4,7H2,1H3,(H,19,21)/t10-/m0/s1
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n/an/a 260n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus infected insect BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-t...


J Med Chem 53: 6516-20 (2010)


Article DOI: 10.1021/jm100120s
BindingDB Entry DOI: 10.7270/Q26H4HNW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50326368
PNG
(2-(2-(3-methylcyclohexylidene)hydrazinyl)-4-(4-nit...)
Show SMILES CC1CCCC(C1)=NNc1nc(cs1)-c1ccc(cc1)[N+]([O-])=O |w:7.8|
Show InChI InChI=1S/C16H18N4O2S/c1-11-3-2-4-13(9-11)18-19-16-17-15(10-23-16)12-5-7-14(8-6-12)20(21)22/h5-8,10-11H,2-4,9H2,1H3,(H,17,19)
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n/an/a 410n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus infected insect BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-t...


J Med Chem 53: 6516-20 (2010)


Article DOI: 10.1021/jm100120s
BindingDB Entry DOI: 10.7270/Q26H4HNW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50326339
PNG
(4-(4-fluorophenyl)-2-(2-(3-methylcyclohexylidene)h...)
Show SMILES CC1CCCC(C1)=NNc1nc(cs1)-c1ccc(F)cc1 |w:7.8|
Show InChI InChI=1S/C16H18FN3S/c1-11-3-2-4-14(9-11)19-20-16-18-15(10-21-16)12-5-7-13(17)8-6-12/h5-8,10-11H,2-4,9H2,1H3,(H,18,20)
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n/an/a 410n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus infected insect BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-t...


J Med Chem 53: 6516-20 (2010)


Article DOI: 10.1021/jm100120s
BindingDB Entry DOI: 10.7270/Q26H4HNW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50326350
PNG
((S)-4-(2-(2-(3-methylcyclohexylidene)hydrazinyl)th...)
Show SMILES C[C@H]1CCCC(C1)=NNc1nc(cs1)-c1ccc(cc1)C#N |r,w:7.8|
Show InChI InChI=1S/C17H18N4S/c1-12-3-2-4-15(9-12)20-21-17-19-16(11-22-17)14-7-5-13(10-18)6-8-14/h5-8,11-12H,2-4,9H2,1H3,(H,19,21)/t12-/m0/s1
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n/an/a 420n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus infected insect BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-t...


J Med Chem 53: 6516-20 (2010)


Article DOI: 10.1021/jm100120s
BindingDB Entry DOI: 10.7270/Q26H4HNW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50272792
PNG
((+/-)-1-(2-methylcyclohexylidene)-2-(4-phenylthiaz...)
Show SMILES CC1CCCCC1=NNc1nc(cs1)-c1ccccc1 |w:7.8|
Show InChI InChI=1S/C16H19N3S/c1-12-7-5-6-10-14(12)18-19-16-17-15(11-20-16)13-8-3-2-4-9-13/h2-4,8-9,11-12H,5-7,10H2,1H3,(H,17,19)
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n/an/a 710n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus infected insect BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-t...


J Med Chem 53: 6516-20 (2010)


Article DOI: 10.1021/jm100120s
BindingDB Entry DOI: 10.7270/Q26H4HNW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50326340
PNG
((R)-4-(4-fluoro phenyl)-2-(2-(3-methylcyclohexylid...)
Show SMILES C[C@@H]1CCCC(C1)=NNc1nc(cs1)-c1ccc(F)cc1 |r,w:7.8|
Show InChI InChI=1S/C16H18FN3S/c1-11-3-2-4-14(9-11)19-20-16-18-15(10-21-16)12-5-7-13(17)8-6-12/h5-8,10-11H,2-4,9H2,1H3,(H,18,20)/t11-/m1/s1
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n/an/a 810n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus infected insect BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-t...


J Med Chem 53: 6516-20 (2010)


Article DOI: 10.1021/jm100120s
BindingDB Entry DOI: 10.7270/Q26H4HNW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50326336
PNG
((R)-2-(2-(3-methylcyclohexylidene)hydrazinyl)-4-ph...)
Show SMILES C[C@@H]1CCCC(C1)=NNc1nc(cs1)-c1ccccc1 |r,w:7.8|
Show InChI InChI=1S/C16H19N3S/c1-12-6-5-9-14(10-12)18-19-16-17-15(11-20-16)13-7-3-2-4-8-13/h2-4,7-8,11-12H,5-6,9-10H2,1H3,(H,17,19)/t12-/m1/s1
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n/an/a 810n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus infected insect BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-t...


J Med Chem 53: 6516-20 (2010)


Article DOI: 10.1021/jm100120s
BindingDB Entry DOI: 10.7270/Q26H4HNW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50326335
PNG
(2-(2-(3-methylcyclohexylidene)hydrazinyl)-4-phenyl...)
Show SMILES CC1CCCC(C1)=NNc1nc(cs1)-c1ccccc1 |w:7.8|
Show InChI InChI=1S/C16H19N3S/c1-12-6-5-9-14(10-12)18-19-16-17-15(11-20-16)13-7-3-2-4-8-13/h2-4,7-8,11-12H,5-6,9-10H2,1H3,(H,17,19)
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n/an/a 2.23E+3n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus infected insect BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-t...


J Med Chem 53: 6516-20 (2010)


Article DOI: 10.1021/jm100120s
BindingDB Entry DOI: 10.7270/Q26H4HNW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50265779
PNG
((+/-)-1-(4-(4-methoxyphenyl)thiazol-2-yl)-2-(2-met...)
Show SMILES COc1ccc(cc1)-c1csc(NN=C2CCCCC2C)n1 |w:13.13|
Show InChI InChI=1S/C17H21N3OS/c1-12-5-3-4-6-15(12)19-20-17-18-16(11-22-17)13-7-9-14(21-2)10-8-13/h7-12H,3-6H2,1-2H3,(H,18,20)
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n/an/a 2.37E+3n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus infected insect BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-t...


J Med Chem 53: 6516-20 (2010)


Article DOI: 10.1021/jm100120s
BindingDB Entry DOI: 10.7270/Q26H4HNW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50265779
PNG
((+/-)-1-(4-(4-methoxyphenyl)thiazol-2-yl)-2-(2-met...)
Show SMILES COc1ccc(cc1)-c1csc(NN=C2CCCCC2C)n1 |w:13.13|
Show InChI InChI=1S/C17H21N3OS/c1-12-5-3-4-6-15(12)19-20-17-18-16(11-22-17)13-7-9-14(21-2)10-8-13/h7-12H,3-6H2,1-2H3,(H,18,20)
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n/an/a 2.76E+3n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA expressed in baculovirus infected insect BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-t...


J Med Chem 53: 6516-20 (2010)


Article DOI: 10.1021/jm100120s
BindingDB Entry DOI: 10.7270/Q26H4HNW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50326366
PNG
(2-(2-(3-methylcyclohexylidene)hydrazinyl)-4-p-toly...)
Show SMILES CC1CCCC(C1)=NNc1nc(cs1)-c1ccc(C)cc1 |w:7.8|
Show InChI InChI=1S/C17H21N3S/c1-12-6-8-14(9-7-12)16-11-21-17(18-16)20-19-15-5-3-4-13(2)10-15/h6-9,11,13H,3-5,10H2,1-2H3,(H,18,20)
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n/an/a 2.86E+3n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus infected insect BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-t...


J Med Chem 53: 6516-20 (2010)


Article DOI: 10.1021/jm100120s
BindingDB Entry DOI: 10.7270/Q26H4HNW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50326347
PNG
((R)-4-(4-methoxyphenyl)-2-(2-(3-methylcyclohexylid...)
Show SMILES COc1ccc(cc1)-c1csc(NN=C2CCC[C@@H](C)C2)n1 |r,w:13.13|
Show InChI InChI=1S/C17H21N3OS/c1-12-4-3-5-14(10-12)19-20-17-18-16(11-22-17)13-6-8-15(21-2)9-7-13/h6-9,11-12H,3-5,10H2,1-2H3,(H,18,20)/t12-/m1/s1
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n/an/a 3.12E+3n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus infected insect BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-t...


J Med Chem 53: 6516-20 (2010)


Article DOI: 10.1021/jm100120s
BindingDB Entry DOI: 10.7270/Q26H4HNW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50272864
PNG
((R)-1-(4-(4-fluorophenyl)thiazol-2-yl)-2-(2-methyl...)
Show SMILES C[C@@H]1CCCCC1=NNc1nc(cs1)-c1ccc(F)cc1 |r,w:7.8|
Show InChI InChI=1S/C16H18FN3S/c1-11-4-2-3-5-14(11)19-20-16-18-15(10-21-16)12-6-8-13(17)9-7-12/h6-11H,2-5H2,1H3,(H,18,20)/t11-/m1/s1
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n/an/a 3.53E+3n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA expressed in baculovirus infected insect BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-t...


J Med Chem 53: 6516-20 (2010)


Article DOI: 10.1021/jm100120s
BindingDB Entry DOI: 10.7270/Q26H4HNW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50326342
PNG
((R)-4-(2,4-dichlorophenyl)-2-(2-(3-methylcyclohexy...)
Show SMILES C[C@@H]1CCCC(C1)=NNc1nc(cs1)-c1ccc(Cl)cc1Cl |r,w:7.8|
Show InChI InChI=1S/C16H17Cl2N3S/c1-10-3-2-4-12(7-10)20-21-16-19-15(9-22-16)13-6-5-11(17)8-14(13)18/h5-6,8-10H,2-4,7H2,1H3,(H,19,21)/t10-/m1/s1
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n/an/a 3.68E+3n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus infected insect BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-t...


J Med Chem 53: 6516-20 (2010)


Article DOI: 10.1021/jm100120s
BindingDB Entry DOI: 10.7270/Q26H4HNW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50326347
PNG
((R)-4-(4-methoxyphenyl)-2-(2-(3-methylcyclohexylid...)
Show SMILES COc1ccc(cc1)-c1csc(NN=C2CCC[C@@H](C)C2)n1 |r,w:13.13|
Show InChI InChI=1S/C17H21N3OS/c1-12-4-3-5-14(10-12)19-20-17-18-16(11-22-17)13-6-8-15(21-2)9-7-13/h6-9,11-12H,3-5,10H2,1-2H3,(H,18,20)/t12-/m1/s1
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n/an/a 4.26E+3n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA expressed in baculovirus infected insect BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-t...


J Med Chem 53: 6516-20 (2010)


Article DOI: 10.1021/jm100120s
BindingDB Entry DOI: 10.7270/Q26H4HNW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50326346
PNG
(4-(4-methoxyphenyl)-2-(2-(3-methylcyclohexylidene)...)
Show SMILES COc1ccc(cc1)-c1csc(NN=C2CCCC(C)C2)n1 |w:13.13|
Show InChI InChI=1S/C17H21N3OS/c1-12-4-3-5-14(10-12)19-20-17-18-16(11-22-17)13-6-8-15(21-2)9-7-13/h6-9,11-12H,3-5,10H2,1-2H3,(H,18,20)
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n/an/a 4.51E+3n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus infected insect BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-t...


J Med Chem 53: 6516-20 (2010)


Article DOI: 10.1021/jm100120s
BindingDB Entry DOI: 10.7270/Q26H4HNW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50272865
PNG
(1-(4-(2,4-difluorophenyl)thiazol-2-yl)-2-((S)-2-me...)
Show SMILES C[C@H]1CCCCC1=NNc1nc(cs1)-c1ccc(F)cc1F |r,w:7.8|
Show InChI InChI=1S/C16H17F2N3S/c1-10-4-2-3-5-14(10)20-21-16-19-15(9-22-16)12-7-6-11(17)8-13(12)18/h6-10H,2-5H2,1H3,(H,19,21)/t10-/m0/s1
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n/an/a 4.81E+3n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA expressed in baculovirus infected insect BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-t...


J Med Chem 53: 6516-20 (2010)


Article DOI: 10.1021/jm100120s
BindingDB Entry DOI: 10.7270/Q26H4HNW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50272863
PNG
((S)-1-(4-(4-fluorophenyl)thiazol-2-yl)-2-(2-methyl...)
Show SMILES C[C@H]1CCCCC1=NNc1nc(cs1)-c1ccc(F)cc1 |r,w:7.8|
Show InChI InChI=1S/C16H18FN3S/c1-11-4-2-3-5-14(11)19-20-16-18-15(10-21-16)12-6-8-13(17)9-7-12/h6-11H,2-5H2,1H3,(H,18,20)/t11-/m0/s1
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n/an/a 4.94E+3n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA expressed in baculovirus infected insect BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-t...


J Med Chem 53: 6516-20 (2010)


Article DOI: 10.1021/jm100120s
BindingDB Entry DOI: 10.7270/Q26H4HNW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50272909
PNG
(4-(2-{N'-[(R)-2-Methyl-cyclohexylidene]-hydrazino}...)
Show SMILES C[C@@H]1CCCCC1=NNc1nc(cs1)-c1ccc(cc1)C#N |r,w:7.8|
Show InChI InChI=1S/C17H18N4S/c1-12-4-2-3-5-15(12)20-21-17-19-16(11-22-17)14-8-6-13(10-18)7-9-14/h6-9,11-12H,2-5H2,1H3,(H,19,21)/t12-/m1/s1
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n/an/a 5.50E+3n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA expressed in baculovirus infected insect BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-t...


J Med Chem 53: 6516-20 (2010)


Article DOI: 10.1021/jm100120s
BindingDB Entry DOI: 10.7270/Q26H4HNW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50326346
PNG
(4-(4-methoxyphenyl)-2-(2-(3-methylcyclohexylidene)...)
Show SMILES COc1ccc(cc1)-c1csc(NN=C2CCCC(C)C2)n1 |w:13.13|
Show InChI InChI=1S/C17H21N3OS/c1-12-4-3-5-14(10-12)19-20-17-18-16(11-22-17)13-6-8-15(21-2)9-7-13/h6-9,11-12H,3-5,10H2,1-2H3,(H,18,20)
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n/an/a 5.77E+3n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA expressed in baculovirus infected insect BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-t...


J Med Chem 53: 6516-20 (2010)


Article DOI: 10.1021/jm100120s
BindingDB Entry DOI: 10.7270/Q26H4HNW
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



Universita degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA expressed in baculovirus infected insect BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-t...


J Med Chem 53: 6516-20 (2010)


Article DOI: 10.1021/jm100120s
BindingDB Entry DOI: 10.7270/Q26H4HNW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50272866
PNG
(1-(4-(2,4-difluorophenyl)thiazol-2-yl)-2-((R)-2-me...)
Show SMILES C[C@@H]1CCCCC1=NNc1nc(cs1)-c1ccc(F)cc1F |r,w:7.8|
Show InChI InChI=1S/C16H17F2N3S/c1-10-4-2-3-5-14(10)20-21-16-19-15(9-22-16)12-7-6-11(17)8-13(12)18/h6-10H,2-5H2,1H3,(H,19,21)/t10-/m1/s1
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n/an/a 6.83E+3n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA expressed in baculovirus infected insect BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-t...


J Med Chem 53: 6516-20 (2010)


Article DOI: 10.1021/jm100120s
BindingDB Entry DOI: 10.7270/Q26H4HNW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50272908
PNG
(4-(2-{N'-[(S)-2-Methyl-cyclohexylidene]-hydrazino}...)
Show SMILES C[C@H]1CCCCC1=NNc1nc(cs1)-c1ccc(cc1)C#N |r,w:7.8|
Show InChI InChI=1S/C17H18N4S/c1-12-4-2-3-5-15(12)20-21-17-19-16(11-22-17)14-8-6-13(10-18)7-9-14/h6-9,11-12H,2-5H2,1H3,(H,19,21)/t12-/m0/s1
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n/an/a 7.22E+3n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA expressed in baculovirus infected insect BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-t...


J Med Chem 53: 6516-20 (2010)


Article DOI: 10.1021/jm100120s
BindingDB Entry DOI: 10.7270/Q26H4HNW
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



Universita degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus infected insect BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-t...


J Med Chem 53: 6516-20 (2010)


Article DOI: 10.1021/jm100120s
BindingDB Entry DOI: 10.7270/Q26H4HNW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50326338
PNG
((R)-4-(4-chlorophenyl)-2-(2-(3-methylcyclohexylide...)
Show SMILES C[C@@H]1CCCC(C1)=NNc1nc(cs1)-c1ccc(Cl)cc1 |r,w:7.8|
Show InChI InChI=1S/C16H18ClN3S/c1-11-3-2-4-14(9-11)19-20-16-18-15(10-21-16)12-5-7-13(17)8-6-12/h5-8,10-11H,2-4,9H2,1H3,(H,18,20)/t11-/m1/s1
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n/an/a 9.55E+3n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus infected insect BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-t...


J Med Chem 53: 6516-20 (2010)


Article DOI: 10.1021/jm100120s
BindingDB Entry DOI: 10.7270/Q26H4HNW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50326341
PNG
(4-(2,4-dichlorophenyl)-2-(2-(3-methylcyclohexylide...)
Show SMILES CC1CCCC(C1)=NNc1nc(cs1)-c1ccc(Cl)cc1Cl |w:7.8|
Show InChI InChI=1S/C16H17Cl2N3S/c1-10-3-2-4-12(7-10)20-21-16-19-15(9-22-16)13-6-5-11(17)8-14(13)18/h5-6,8-10H,2-4,7H2,1H3,(H,19,21)
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n/an/a 9.65E+3n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus infected insect BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-t...


J Med Chem 53: 6516-20 (2010)


Article DOI: 10.1021/jm100120s
BindingDB Entry DOI: 10.7270/Q26H4HNW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50326345
PNG
((S)-4-(2,4-difluorophenyl)-2-(2-(3-methylcyclohexy...)
Show SMILES C[C@H]1CCCC(C1)=NNc1nc(cs1)-c1ccc(F)cc1F |r,w:7.8|
Show InChI InChI=1S/C16H17F2N3S/c1-10-3-2-4-12(7-10)20-21-16-19-15(9-22-16)13-6-5-11(17)8-14(13)18/h5-6,8-10H,2-4,7H2,1H3,(H,19,21)/t10-/m0/s1
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n/an/a 1.01E+4n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA expressed in baculovirus infected insect BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-t...


J Med Chem 53: 6516-20 (2010)


Article DOI: 10.1021/jm100120s
BindingDB Entry DOI: 10.7270/Q26H4HNW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50272793
PNG
((+/-)-1-(4-(4-chlorophenyl)thiazol-2-yl)-2-(2-meth...)
Show SMILES CC1CCCCC1=NNc1nc(cs1)-c1ccc(Cl)cc1 |w:7.8|
Show InChI InChI=1S/C16H18ClN3S/c1-11-4-2-3-5-14(11)19-20-16-18-15(10-21-16)12-6-8-13(17)9-7-12/h6-11H,2-5H2,1H3,(H,18,20)
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n/an/a 1.31E+4n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus infected insect BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-t...


J Med Chem 53: 6516-20 (2010)


Article DOI: 10.1021/jm100120s
BindingDB Entry DOI: 10.7270/Q26H4HNW
More data for this
Ligand-Target Pair
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