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Compile Data Set for Download or QSAR

Found 8032 hits Enz. Inhib. hit(s) with Target = 'Amine oxidase'   
Target
(Institution)
LigandTarget
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
Monoamine oxidase A (MAO-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 0.00490n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human monoamine oxidase A


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Monoamine oxidase B (MAO-B)


(Homo sapiens (Human))
BDBM50121688
PNG
(3-Methyl-8-(4,4,4-trifluoro-butoxy)-indeno[1,2-c]p...)
Show SMILES Cc1cc2C(=O)c3ccc(OCCCC(F)(F)F)cc3-c2nn1
Show InChI InChI=1S/C16H13F3N2O2/c1-9-7-13-14(21-20-9)12-8-10(3-4-11(12)15(13)22)23-6-2-5-16(17,18)19/h3-4,7-8H,2,5-6H2,1H3
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n/an/a 0.0140n/an/an/an/an/an/a



Facultés Universitaires Notre-Dame de la Paix

Curated by ChEMBL


Assay Description
Inhibitory concentration against Monoamine oxidase B was measured in baboon liver.


Bioorg Med Chem Lett 13: 69-73 (2002)

More data for this
Ligand-Target Pair
Monoamine oxidase B (MAO-B)


(Homo sapiens (Human))
BDBM15579
PNG
(CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...)
Show SMILES C[C@H](Cc1ccccc1)N(C)CC#C
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 0.0170n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human monoamine oxidase B


Citation and Details
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50381960
PNG
(CHEMBL2022927)
Show SMILES CN(CC#C)Cc1cc2cc(OCc3ccccc3)ccc2[nH]1
Show InChI InChI=1S/C20H20N2O/c1-3-11-22(2)14-18-12-17-13-19(9-10-20(17)21-18)23-15-16-7-5-4-6-8-16/h1,4-10,12-13,21H,11,14-15H2,2H3
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n/an/a 0.0250n/an/an/an/an/an/a



Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of mitochondrial MAO-B in rat liver homogenates using [14C]-phenylethylamine as substrate preincubated for 30 mins by liquid scintillation...


Citation and Details
More data for this
Ligand-Target Pair
Monoamine oxidase B (MAO-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 0.0480n/an/an/an/an/an/a



Universidade do Porto

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus-infected BTI insect cells after 15 mins by fluorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Monoamine oxidase A (MAO-A)


(Homo sapiens (human))
BDBM50188722
PNG
(3-(3-trifluoromethyl)phenyl-8-methoxy-5H-indeno[1,...)
Show SMILES COc1ccc2C(=O)c3cc(nnc3-c2c1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C19H11F3N2O2/c1-26-12-5-6-13-14(8-12)17-15(18(13)25)9-16(23-24-17)10-3-2-4-11(7-10)19(20,21)22/h2-9H,1H3
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n/an/a 0.100n/an/an/an/an/an/a



Facultés Universitaires N.D de la Paix

Curated by ChEMBL


Assay Description
Inhibition of MAO-B in baboon liver mitochondria


Citation and Details
More data for this
Ligand-Target Pair
Monoamine oxidase B (MAO-B)


(Homo sapiens (Human))
BDBM50046943
PNG
(CHEMBL3319268)
Show SMILES Clc1ccc(NC(=O)c2ccc3[nH]ccc3c2)cc1Cl
Show InChI InChI=1S/C15H10Cl2N2O/c16-12-3-2-11(8-13(12)17)19-15(20)10-1-4-14-9(7-10)5-6-18-14/h1-8,18H,(H,19,20)
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n/an/a 0.227n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


Citation and Details
More data for this
Ligand-Target Pair
Monoamine oxidase B (MAO-B)


(Homo sapiens (Human))
BDBM50355323
PNG
(CHEMBL1835228)
Show SMILES Cc1ccc(cc1)-c1cc2cc(C)ccc2oc1=O
Show InChI InChI=1S/C17H14O2/c1-11-3-6-13(7-4-11)15-10-14-9-12(2)5-8-16(14)19-17(15)18/h3-10H,1-2H3
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n/an/a 0.310n/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in insect BT1-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-tyramine up to 15 min...


Citation and Details
More data for this
Ligand-Target Pair
Monoamine oxidase B (MAO-B)


(Homo sapiens (Human))
BDBM50121685
PNG
(5-(4,4,4-Trifluoro-butoxy)-indan-1-one | CHEMBL414...)
Show SMILES FC(F)(F)CCCOc1ccc2C(=O)CCc2c1
Show InChI InChI=1S/C13H13F3O2/c14-13(15,16)6-1-7-18-10-3-4-11-9(8-10)2-5-12(11)17/h3-4,8H,1-2,5-7H2
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n/an/a 0.318n/an/an/an/an/an/a



Facultés Universitaires Notre-Dame de la Paix

Curated by ChEMBL


Assay Description
Inhibitory concentration against Monoamine oxidase B was measured


Bioorg Med Chem Lett 13: 69-73 (2002)

More data for this
Ligand-Target Pair
Monoamine oxidase B (MAO-B)


(Homo sapiens (Human))
BDBM50046866
PNG
(CHEMBL3319256)
Show SMILES Cn1ncc2cc(ccc12)C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H11Cl2N3O/c1-20-14-5-2-9(6-10(14)8-18-20)15(21)19-11-3-4-12(16)13(17)7-11/h2-8H,1H3,(H,19,21)
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n/an/a 0.386n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


Citation and Details
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50282502
PNG
(7-(4-Fluoro-benzyloxy)-3,4-dimethyl-chromen-2-one ...)
Show SMILES Cc1c(C)c(=O)oc2cc(OCc3ccc(F)cc3)ccc12
Show InChI InChI=1S/C18H15FO3/c1-11-12(2)18(20)22-17-9-15(7-8-16(11)17)21-10-13-3-5-14(19)6-4-13/h3-9H,10H2,1-2H3
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n/an/a 0.400n/an/an/an/an/an/a


TBA

Assay Description
In vitro inhibitory activity against monoamine oxidase B (MAO-B) in rat brain homogenate.


Citation and Details
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
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 0.420n/an/an/an/an/an/a



General Hospital of PLA

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in Sprague-Dawley rat brain homogenate using kynuramine as substrate preincubated for 10 mins measured by fluorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
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 0.5n/an/an/an/an/an/a



Dart NeuroScience, LLC

Curated by ChEMBL


Assay Description
Inhibition of MAO-B in rat whole brain homogenate in presence of clorgyline


Citation and Details
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50240393
PNG
(3,4-dimethyl-7-methoxycoumarin | 7-Methoxy-3,4-dim...)
Show SMILES COc1ccc2c(C)c(C)c(=O)oc2c1
Show InChI InChI=1S/C12H12O3/c1-7-8(2)12(13)15-11-6-9(14-3)4-5-10(7)11/h4-6H,1-3H3
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n/an/a 0.5n/an/an/an/an/an/a


TBA

Assay Description
In vitro inhibitory activity against monoamine oxidase B (MAO-B) in rat brain homogenate.


Citation and Details
More data for this
Ligand-Target Pair
Monoamine oxidase B (MAO-B)


(Homo sapiens (Human))
BDBM50046950
PNG
(CHEMBL3319244)
Show SMILES Clc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1Cl
Show InChI InChI=1S/C14H9Cl2N3O/c15-11-3-2-10(6-12(11)16)18-14(20)8-1-4-13-9(5-8)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
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n/an/a 0.586n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


Citation and Details
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50282510
PNG
(7-(4-Chloro-benzyloxy)-3,4-dimethyl-chromen-2-one ...)
Show SMILES Cc1c(C)c(=O)oc2cc(OCc3ccc(Cl)cc3)ccc12
Show InChI InChI=1S/C18H15ClO3/c1-11-12(2)18(20)22-17-9-15(7-8-16(11)17)21-10-13-3-5-14(19)6-4-13/h3-9H,10H2,1-2H3
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n/an/a 0.600n/an/an/an/an/an/a


TBA

Assay Description
In vitro inhibitory activity against monoamine oxidase B (MAO-B) in rat brain homogenate.


Citation and Details
More data for this
Ligand-Target Pair
Monoamine oxidase B (MAO-B)


(Homo sapiens (Human))
BDBM50046948
PNG
(CHEMBL3319272)
Show SMILES Clc1ccc(cc1Cl)\N=C\c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C14H9Cl2N3/c15-12-3-2-11(6-13(12)16)17-7-9-1-4-14-10(5-9)8-18-19-14/h1-8H,(H,18,19)/b17-7+
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n/an/a 0.612n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


Citation and Details
More data for this
Ligand-Target Pair
Monoamine oxidase B (MAO-B)


(Homo sapiens (Human))
BDBM50334292
PNG
(5-(4-Phenylbutyl)isatin | CHEMBL1642678)
Show SMILES O=C1Nc2ccc(CCCCc3ccccc3)cc2C1=O
Show InChI InChI=1S/C18H17NO2/c20-17-15-12-14(10-11-16(15)19-18(17)21)9-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,10-12H,4-5,8-9H2,(H,19,20,21)
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n/an/a 0.660n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in insect cells by fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Monoamine oxidase B (MAO-B)


(Homo sapiens (Human))
BDBM50046878
PNG
(CHEMBL3319247)
Show SMILES Fc1cc(NC(=O)c2ccc3[nH]ncc3c2)ccc1Cl
Show InChI InChI=1S/C14H9ClFN3O/c15-11-3-2-10(6-12(11)16)18-14(20)8-1-4-13-9(5-8)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
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n/an/a 0.668n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


Citation and Details
More data for this
Ligand-Target Pair
Monoamine oxidase B (MAO-B)


(Homo sapiens (Human))
BDBM50046879
PNG
(CHEMBL3317469)
Show SMILES Fc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1Cl
Show InChI InChI=1S/C14H9ClFN3O/c15-11-6-10(2-3-12(11)16)18-14(20)8-1-4-13-9(5-8)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
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n/an/a 0.679n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


Citation and Details
More data for this
Ligand-Target Pair
Monoamine oxidase A (MAO-A)


(Homo sapiens (human))
BDBM50075952
PNG
(CHEMBL3415804)
Show SMILES OC(=O)C([O-])=O.C[NH+](CC#C)CC(=C)c1ccoc1
Show InChI InChI=1/C11H13NO/c1-4-6-12(3)8-10(2)11-5-7-13-9-11/h1,5,7,9H,2,6,8H2,3H3/p+1
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n/an/a 0.720n/an/an/an/an/an/a



A* STAR (Agency of Science, Technology and Research)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in Sf9 cells using 5-hydroxytryptamine substrate assessed as hydrogen peroxide production after 1 hr ...


Citation and Details
More data for this
Ligand-Target Pair
Monoamine oxidase B (MAO-B)


(Homo sapiens (Human))
BDBM50355325
PNG
(CHEMBL1835231)
Show SMILES COc1ccc(cc1Br)-c1cc2cc(C)ccc2oc1=O
Show InChI InChI=1S/C17H13BrO3/c1-10-3-5-15-12(7-10)8-13(17(19)21-15)11-4-6-16(20-2)14(18)9-11/h3-9H,1-2H3
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n/an/a 0.740n/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in insect BT1-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-tyramine up to 15 min...


Citation and Details
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50381960
PNG
(CHEMBL2022927)
Show SMILES CN(CC#C)Cc1cc2cc(OCc3ccccc3)ccc2[nH]1
Show InChI InChI=1S/C20H20N2O/c1-3-11-22(2)14-18-12-17-13-19(9-10-20(17)21-18)23-15-16-7-5-4-6-8-16/h1,4-10,12-13,21H,11,14-15H2,2H3
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n/an/a 0.790n/an/an/an/an/an/a



Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of mitochondrial MAO-A in rat liver homogenates using [14C]-(5-hydroxy-triptamine) as substrate preincubated for 30 mins by liquid scintil...


Citation and Details
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50282504
PNG
(7-(5-Cyclopropyl-isoxazol-3-ylmethoxy)-3,4-dimethy...)
Show SMILES Cc1c(C)c(=O)oc2cc(OCc3cc(on3)C3CC3)ccc12
Show InChI InChI=1S/C18H17NO4/c1-10-11(2)18(20)22-17-8-14(5-6-15(10)17)21-9-13-7-16(23-19-13)12-3-4-12/h5-8,12H,3-4,9H2,1-2H3
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n/an/a 0.800n/an/an/an/an/an/a


TBA

Assay Description
In vitro inhibitory activity against monoamine oxidase B (MAO-B) in rat brain homogenate.


Citation and Details
More data for this
Ligand-Target Pair
Monoamine oxidase B (MAO-B)


(Homo sapiens (Human))
BDBM50300895
PNG
(3-(3-methoxyphenyl)-6-methyl-2H-chromen-2-one | CH...)
Show SMILES COc1cccc(c1)-c1cc2cc(C)ccc2oc1=O
Show InChI InChI=1S/C17H14O3/c1-11-6-7-16-13(8-11)10-15(17(18)20-16)12-4-3-5-14(9-12)19-2/h3-10H,1-2H3
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n/an/a 0.800n/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in insect BT1-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-tyramine up to 15 min...


Citation and Details
More data for this
Ligand-Target Pair
Monoamine oxidase B (MAO-B)


(Homo sapiens (Human))
BDBM50300895
PNG
(3-(3-methoxyphenyl)-6-methyl-2H-chromen-2-one | CH...)
Show SMILES COc1cccc(c1)-c1cc2cc(C)ccc2oc1=O
Show InChI InChI=1S/C17H14O3/c1-11-6-7-16-13(8-11)10-15(17(18)20-16)12-4-3-5-14(9-12)19-2/h3-10H,1-2H3
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n/an/a 0.803n/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in BTI cells


Citation and Details
More data for this
Ligand-Target Pair
Monoamine oxidase A (MAO-A)


(Homo sapiens (human))
BDBM50358012
PNG
(CHEMBL1651055)
Show SMILES COc1cc2C(=O)c3ccccc3-c3nccc(c1)c23
Show InChI InChI=1S/C17H11NO2/c1-20-11-8-10-6-7-18-16-12-4-2-3-5-13(12)17(19)14(9-11)15(10)16/h2-9H,1H3
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n/an/a 0.830n/an/an/an/an/an/a



University of Santiago de Compostela 15782

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Monoamine oxidase A (MAO-A)


(Homo sapiens (human))
BDBM50075959
PNG
(CHEMBL3415795)
Show SMILES Cl.CN(CC#C)CC(=C)c1ccc(Br)cc1
Show InChI InChI=1S/C13H14BrN/c1-4-9-15(3)10-11(2)12-5-7-13(14)8-6-12/h1,5-8H,2,9-10H2,3H3
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n/an/a 0.850n/an/an/an/an/an/a



A* STAR (Agency of Science, Technology and Research)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in Sf9 cells using 5-hydroxytryptamine substrate assessed as hydrogen peroxide production after 1 hr ...


Citation and Details
More data for this
Ligand-Target Pair
Monoamine oxidase B (MAO-B)


(Homo sapiens (Human))
BDBM166634
PNG
(7-[(4-Fluorobenzyl)oxy]-3,4-dihydronaphthalen-1(2H...)
Show SMILES Fc1ccc(COc2ccc3CCCC(=O)c3c2)cc1
Show InChI InChI=1S/C17H15FO2/c18-14-7-4-12(5-8-14)11-20-15-9-6-13-2-1-3-17(19)16(13)10-15/h4-10H,1-3,11H2
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n/an/a 0.890n/an/an/an/an/an/a



North-West University



Assay Description
IC50 values for the inhibition of MAO-A and MAO-B were determined using the recombinant human enzymes as enzyme sources, and kynuramine as non-select...


Citation and Details
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50282514
PNG
(3,4-dimethyl-7-(4-methyl-benzyloxy)-chromen-2-one ...)
Show SMILES Cc1ccc(COc2ccc3c(C)c(C)c(=O)oc3c2)cc1
Show InChI InChI=1S/C19H18O3/c1-12-4-6-15(7-5-12)11-21-16-8-9-17-13(2)14(3)19(20)22-18(17)10-16/h4-10H,11H2,1-3H3
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n/an/a 0.900n/an/an/an/an/an/a


TBA

Assay Description
In vitro inhibitory activity against monoamine oxidase B (MAO-B) in rat brain homogenate.


Citation and Details
More data for this
Ligand-Target Pair
Monoamine oxidase B (MAO-B)


(Homo sapiens (Human))
BDBM50282506
PNG
(7-(5-Isopropyl-[1,3,4]thiadiazol-2-ylmethoxy)-3,4-...)
Show SMILES CC(C)c1nnc(COc2ccc3c(C)c(C)c(=O)oc3c2)s1
Show InChI InChI=1S/C17H18N2O3S/c1-9(2)16-19-18-15(23-16)8-21-12-5-6-13-10(3)11(4)17(20)22-14(13)7-12/h5-7,9H,8H2,1-4H3
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n/an/a 0.900n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50282506
PNG
(7-(5-Isopropyl-[1,3,4]thiadiazol-2-ylmethoxy)-3,4-...)
Show SMILES CC(C)c1nnc(COc2ccc3c(C)c(C)c(=O)oc3c2)s1
Show InChI InChI=1S/C17H18N2O3S/c1-9(2)16-19-18-15(23-16)8-21-12-5-6-13-10(3)11(4)17(20)22-14(13)7-12/h5-7,9H,8H2,1-4H3
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n/an/a 0.900n/an/an/an/an/an/a


TBA

Assay Description
In vitro inhibitory activity against monoamine oxidase B (MAO-B) in rat brain homogenate.


Citation and Details
More data for this
Ligand-Target Pair
Monoamine oxidase B (MAO-B)


(Homo sapiens (Human))
BDBM50409097
PNG
(CHEMBL108697)
Show SMILES Cc1c(C)c(=O)oc2cc(OCc3cccc(F)c3)ccc12
Show InChI InChI=1S/C18H15FO3/c1-11-12(2)18(20)22-17-9-15(6-7-16(11)17)21-10-13-4-3-5-14(19)8-13/h3-9H,10H2,1-2H3
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n/an/a 0.912n/an/an/an/an/an/a



University of Geneva

Curated by ChEMBL


Assay Description
Inhibition of human supersomes MAOB


Citation and Details
More data for this
Ligand-Target Pair
Monoamine oxidase B (MAO-B)


(Homo sapiens (Human))
BDBM50409101
PNG
(CHEMBL142799)
Show SMILES O=c1oc2cc(OCc3ccccc3)ccc2c2CCCc12
Show InChI InChI=1S/C19H16O3/c20-19-17-8-4-7-15(17)16-10-9-14(11-18(16)22-19)21-12-13-5-2-1-3-6-13/h1-3,5-6,9-11H,4,7-8,12H2
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n/an/a 0.912n/an/an/an/an/an/a



University of Geneva

Curated by ChEMBL


Assay Description
Inhibition of human supersomes MAOB


Citation and Details
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50046943
PNG
(CHEMBL3319268)
Show SMILES Clc1ccc(NC(=O)c2ccc3[nH]ccc3c2)cc1Cl
Show InChI InChI=1S/C15H10Cl2N2O/c16-12-3-2-11(8-13(12)17)19-15(20)10-1-4-14-9(7-10)5-6-18-14/h1-8,18H,(H,19,20)
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n/an/a 1n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


Citation and Details
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50367064
PNG
(CHEMBL1204338)
Show SMILES CN1C(Cc2ccccc2N=C1C)c1ccccc1
Show InChI InChI=1S/C17H18N2/c1-13-18-16-11-7-6-10-15(16)12-17(19(13)2)14-8-4-3-5-9-14/h3-11,17H,12H2,1-2H3
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n/an/a>1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibition of rat brain mitochondrial monoamine oxidase B


J Med Chem 25: 340-6 (1982)

More data for this
Ligand-Target Pair
Monoamine oxidase B (MAO-B)


(Homo sapiens (Human))
BDBM36478
PNG
(6-Oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl benz...)
Show SMILES O=C(Oc1ccc2c3CCCCc3c(=O)oc2c1)c1ccccc1
Show InChI InChI=1S/C20H16O4/c21-19(13-6-2-1-3-7-13)23-14-10-11-16-15-8-4-5-9-17(15)20(22)24-18(16)12-14/h1-3,6-7,10-12H,4-5,8-9H2
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n/an/a 1n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Momoamine oxidase type B(MAO-B) activity in vitro assay using molecules that caused a photomotor response (PMR) "magnitude stimulant' (MAG) pheno...


Citation and Details
More data for this
Ligand-Target Pair
Monoamine oxidase A (MAO-A)


(Homo sapiens (human))
BDBM218829
PNG
(1,4-Bis(2-pentanoylimino-5-(2-methoxy-2-oxoethylid...)
Show SMILES CCCCC(=O)\N=C1/S\C(=C/C(=O)OC)C(=O)N1c1ccc(cc1)N1\C(S\C(=C/C(=O)OC)C1=O)=N\C(=O)CCCC
Show InChI InChI=1S/C28H30N4O8S2/c1-5-7-9-21(33)29-27-31(25(37)19(41-27)15-23(35)39-3)17-11-13-18(14-12-17)32-26(38)20(16-24(36)40-4)42-28(32)30-22(34)10-8-6-2/h11-16H,5-10H2,1-4H3/b19-15-,20-16-,29-27-,30-28-
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n/an/a 1n/an/an/an/an/an/a



Quaid-i-Azam University



Assay Description
The assay was performed in a polystyrene 96-well plate having flat bottom containing 200 μL of the total reaction mixture. For each assay, mixtu...


Bioorg Chem 70: 17-26 (2017)

More data for this
Ligand-Target Pair
Monoamine oxidase B (MAO-B)


(Homo sapiens (Human))
BDBM50046949
PNG
(CHEMBL3319273)
Show SMILES Cn1ncc2cc(\C=N\c3ccc(Cl)c(Cl)c3)ccc12
Show InChI InChI=1S/C15H11Cl2N3/c1-20-15-5-2-10(6-11(15)9-19-20)8-18-12-3-4-13(16)14(17)7-12/h2-9H,1H3/b18-8+
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n/an/a 1n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


Citation and Details
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50367064
PNG
(CHEMBL1204338)
Show SMILES CN1C(Cc2ccccc2N=C1C)c1ccccc1
Show InChI InChI=1S/C17H18N2/c1-13-18-16-11-7-6-10-15(16)12-17(19(13)2)14-8-4-3-5-9-14/h3-11,17H,12H2,1-2H3
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n/an/a>1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibition of rat brain mitochondrial monoamine oxidase A.


J Med Chem 25: 340-6 (1982)

More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM10989
PNG
((1R)-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-ami...)
Show SMILES C#CCN[C@@H]1CCc2ccccc12
Show InChI InChI=1S/C12H13N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-6,12-13H,7-9H2/t12-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



A* STAR (Agency of Science, Technology and Research)

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-A in nuclei-free homogenates using [14C]hydroxytryptamine substrate after 20 mins by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Monoamine oxidase A (MAO-A)


(Homo sapiens (human))
BDBM50075947
PNG
(CHEMBL3415817)
Show SMILES OC(=O)C([O-])=O.C[NH+](CC#C)CC(=C)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1/C13H13Cl2N/c1-4-7-16(3)9-10(2)11-5-6-12(14)13(15)8-11/h1,5-6,8H,2,7,9H2,3H3/p+1
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n/an/a 1n/an/an/an/an/an/a



A* STAR (Agency of Science, Technology and Research)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in Sf9 cells using 5-hydroxytryptamine substrate assessed as hydrogen peroxide production after 1 hr ...


Citation and Details
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50049682
PNG
(2-Methoxy-6-(5-methyl-[1,3,4]oxadiazol-2-yl)-10,10...)
Show SMILES COc1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)-c1nnc(C)o1
Show InChI InChI=1S/C17H12N2O5S/c1-9-18-19-17(24-9)10-3-5-12-15(7-10)25(21,22)14-6-4-11(23-2)8-13(14)16(12)20/h3-8H,1-2H3
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n/an/a 1n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain mitochondrial monoamine oxidase A


Citation and Details
More data for this
Ligand-Target Pair
Monoamine oxidase B (MAO-B)


(Homo sapiens (Human))
BDBM50409081
PNG
(CHEMBL111309)
Show SMILES Cc1c(C)c(=O)oc2cc(OCc3ccccc3)ccc12
Show InChI InChI=1S/C18H16O3/c1-12-13(2)18(19)21-17-10-15(8-9-16(12)17)20-11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3
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n/an/a 1.07n/an/an/an/an/an/a



University of Geneva

Curated by ChEMBL


Assay Description
Inhibition of human supersomes MAOB


Citation and Details
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50409078
PNG
(CHEMBL325761)
Show SMILES Cc1c(C)c(=O)oc2cc(OCc3ccc(F)c(F)c3)ccc12
Show InChI InChI=1S/C18H14F2O3/c1-10-11(2)18(21)23-17-8-13(4-5-14(10)17)22-9-12-3-6-15(19)16(20)7-12/h3-8H,9H2,1-2H3
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n/an/a 1.10n/an/an/an/an/an/a



Universit£ de Lausanne

Curated by ChEMBL


Assay Description
Inhibitory activity against monoamine oxidase B


J Med Chem 44: 3195-8 (2001)

More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50046944
PNG
(CHEMBL3319269)
Show SMILES Cn1ccc2cc(ccc12)C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H12Cl2N2O/c1-20-7-6-10-8-11(2-5-15(10)20)16(21)19-12-3-4-13(17)14(18)9-12/h2-9H,1H3,(H,19,21)
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n/an/a 1.10n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


Citation and Details
More data for this
Ligand-Target Pair
Monoamine oxidase B (MAO-B)


(Homo sapiens (Human))
BDBM50409099
PNG
(CHEMBL356977)
Show SMILES Cc1c(C)c(=O)oc2cc(OCc3cccc(c3)[N+]([O-])=O)ccc12
Show InChI InChI=1S/C18H15NO5/c1-11-12(2)18(20)24-17-9-15(6-7-16(11)17)23-10-13-4-3-5-14(8-13)19(21)22/h3-9H,10H2,1-2H3
PDB
MMDB

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n/an/a 1.10n/an/an/an/an/an/a



University of Geneva

Curated by ChEMBL


Assay Description
Inhibition of human supersomes MAOB


Citation and Details
More data for this
Ligand-Target Pair
Monoamine oxidase B (MAO-B)


(Homo sapiens (Human))
BDBM50409090
PNG
(CHEMBL142582)
Show SMILES Cc1c(C)c(=O)oc2cc(OCc3ccc(cc3)[N+]([O-])=O)ccc12
Show InChI InChI=1S/C18H15NO5/c1-11-12(2)18(20)24-17-9-15(7-8-16(11)17)23-10-13-3-5-14(6-4-13)19(21)22/h3-9H,10H2,1-2H3
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n/an/a 1.12n/an/an/an/an/an/a



University of Geneva

Curated by ChEMBL


Assay Description
Inhibition of human supersomes MAOB


Citation and Details
More data for this
Ligand-Target Pair
Monoamine oxidase B (MAO-B)


(Homo sapiens (Human))
BDBM50409083
PNG
(CHEMBL145292)
Show SMILES O=c1oc2cc(OCc3ccccc3)ccc2c2ccccc12
Show InChI InChI=1S/C20H14O3/c21-20-18-9-5-4-8-16(18)17-11-10-15(12-19(17)23-20)22-13-14-6-2-1-3-7-14/h1-12H,13H2
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n/an/a 1.12n/an/an/an/an/an/a



University of Geneva

Curated by ChEMBL


Assay Description
Inhibition of human supersomes MAOB


Citation and Details
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50409078
PNG
(CHEMBL325761)
Show SMILES Cc1c(C)c(=O)oc2cc(OCc3ccc(F)c(F)c3)ccc12
Show InChI InChI=1S/C18H14F2O3/c1-10-11(2)18(21)23-17-8-13(4-5-14(10)17)22-9-12-3-6-15(19)16(20)7-12/h3-8H,9H2,1-2H3
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n/an/a 1.15n/an/an/an/an/an/a



Universit£ de Lausanne

Curated by ChEMBL


Assay Description
Inhibitory effect on Monoamine oxidase B, SD on IC50 values < 10%


J Med Chem 43: 4747-58 (2000)

More data for this
Ligand-Target Pair
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