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Compile Data Set for Download or QSAR

Found 222 hits of ki for UniProtKB: P21396   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50087809
PNG
(CHEMBL298006 | Methyl-(1-methyl-1H-indol-2-ylmethy...)
Show SMILES CN(CC#C)Cc1cc2ccccc2n1C
Show InChI InChI=1S/C14H16N2/c1-4-9-15(2)11-13-10-12-7-5-6-8-14(12)16(13)3/h1,5-8,10H,9,11H2,2-3H3
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 0.300n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase A

J Med Chem 43: 1684-91 (2000)


BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50087796
PNG
((5-Methoxy-1-methyl-1H-indol-2-ylmethyl)-prop-2-yn...)
Show SMILES COc1ccc2n(C)c(CNCC#C)cc2c1
Show InChI InChI=1S/C14H16N2O/c1-4-7-15-10-12-8-11-9-13(17-3)5-6-14(11)16(12)2/h1,5-6,8-9,15H,7,10H2,2-3H3
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 0.800n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase A

J Med Chem 43: 1684-91 (2000)


BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50087791
PNG
(But-2-ynyl-(5-methoxy-1-methyl-1H-indol-2-ylmethyl...)
Show SMILES COc1ccc2n(C)c(CN(C)CC#CC)cc2c1
Show InChI InChI=1S/C16H20N2O/c1-5-6-9-17(2)12-14-10-13-11-15(19-4)7-8-16(13)18(14)3/h7-8,10-11H,9,12H2,1-4H3
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 1.40n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase A

J Med Chem 43: 1684-91 (2000)


BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50087801
PNG
((5-Methoxy-1-methyl-1H-indol-2-ylmethyl)-methyl-pr...)
Show SMILES COc1ccc2n(C)c(CN(C)CC#C)cc2c1
Show InChI InChI=1S/C15H18N2O/c1-5-8-16(2)11-13-9-12-10-14(18-4)6-7-15(12)17(13)3/h1,6-7,9-10H,8,11H2,2-4H3
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 1.5n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase A

J Med Chem 43: 1684-91 (2000)


BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50168981
PNG
(1-(1-Methyl-1H-pyrrol-2-yl)-2-phenyl-2-pyrrolidin-...)
Show SMILES Cn1cccc1C(=O)[C@H](N1CCCC1)c1ccccc1
Show InChI InChI=1S/C17H20N2O/c1-18-11-7-10-15(18)17(20)16(19-12-5-6-13-19)14-8-3-2-4-9-14/h2-4,7-11,16H,5-6,12-13H2,1H3/t16-/m1/s1
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 3.5n/an/an/an/an/an/an/an/a



Università di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibtory concentration for rat Monoamine oxidase A

J Med Chem 48: 4220-3 (2005)


Article DOI: 10.1021/jm050172c
BindingDB Entry DOI: 10.7270/Q2862FZV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50049679
PNG
(6-(4,5-Dihydro-1H-imidazol-2-yl)-2-ethyl-10,10-dio...)
Show SMILES CCc1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)C1=NCCN1 |t:22|
Show InChI InChI=1S/C18H16N2O3S/c1-2-11-3-6-15-14(9-11)17(21)13-5-4-12(18-19-7-8-20-18)10-16(13)24(15,22)23/h3-6,9-10H,2,7-8H2,1H3,(H,19,20)
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 4n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Ex vivo value for inhibition of MAO A of rats sacrificed 2 hr after po administration

J Med Chem 39: 1857-63 (1996)


Article DOI: 10.1021/jm950595m
BindingDB Entry DOI: 10.7270/Q2TM796B
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50087803
PNG
(1-Methyl-2-[(methyl-prop-2-ynyl-amino)-methyl]-1H-...)
Show SMILES CN(CC#C)Cc1cc2cc(O)ccc2n1C
Show InChI InChI=1S/C14H16N2O/c1-4-7-15(2)10-12-8-11-9-13(17)5-6-14(11)16(12)3/h1,5-6,8-9,17H,7,10H2,2-3H3
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 4n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase A

J Med Chem 43: 1684-91 (2000)


BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50304156
PNG
(3-(2-Furyl)-2-(N-phenyllthiocarbamoyl)-3,3a,4,5,6,...)
Show SMILES S=C(Nc1ccccc1)N1N=C2CCCCC2C1c1ccco1 |t:11|
Show InChI InChI=1S/C18H19N3OS/c23-18(19-13-7-2-1-3-8-13)21-17(16-11-6-12-22-16)14-9-4-5-10-15(14)20-21/h1-3,6-8,11-12,14,17H,4-5,9-10H2,(H,19,23)
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 4.22n/an/an/an/an/an/an/an/a



Hacettepe University

Curated by ChEMBL


Assay Description
Competitive inhibition of MAOA in rat liver homogenate by spectrophotometrically

Bioorg Med Chem 17: 6761-72 (2009)


Article DOI: 10.1016/j.bmc.2009.07.033
BindingDB Entry DOI: 10.7270/Q2TQ61M2
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50087794
PNG
(But-2-ynyl-methyl-(1-methyl-1H-indol-2-ylmethyl)-a...)
Show SMILES CC#CCN(C)Cc1cc2ccccc2n1C
Show InChI InChI=1S/C15H18N2/c1-4-5-10-16(2)12-14-11-13-8-6-7-9-15(13)17(14)3/h6-9,11H,10,12H2,1-3H3
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 4.30n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase A

J Med Chem 43: 1684-91 (2000)


BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		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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 5n/an/an/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in rat liver homogenate by spectrophotometry-based Holt method

Bioorg Med Chem Lett 20: 132-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.015
BindingDB Entry DOI: 10.7270/Q2F76CPV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		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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 5.53n/an/an/an/an/an/an/an/a



Hacettepe University

Curated by ChEMBL


Assay Description
Competitive inhibition of MAOA in rat liver homogenate by spectrophotometrically

Bioorg Med Chem 17: 6761-72 (2009)


Article DOI: 10.1016/j.bmc.2009.07.033
BindingDB Entry DOI: 10.7270/Q2TQ61M2
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50087790
PNG
(2-[(But-2-ynyl-methyl-amino)-methyl]-1-methyl-1H-i...)
Show SMILES CC#CCN(C)Cc1cc2cc(O)ccc2n1C
Show InChI InChI=1S/C15H18N2O/c1-4-5-8-16(2)11-13-9-12-10-14(18)6-7-15(12)17(13)3/h6-7,9-10,18H,8,11H2,1-3H3
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 5.70n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase A

J Med Chem 43: 1684-91 (2000)


BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50168986
PNG
(1-(1-Methyl-1H-pyrrol-2-yl)-2-piperidin-1-yl-ethan...)
Show SMILES Cn1cccc1C(=O)CN1CCCCC1
Show InChI InChI=1S/C12H18N2O/c1-13-7-5-6-11(13)12(15)10-14-8-3-2-4-9-14/h5-7H,2-4,8-10H2,1H3
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 7n/an/an/an/an/an/an/an/a



Università di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibtory concentration for rat Monoamine oxidase A

J Med Chem 48: 4220-3 (2005)


Article DOI: 10.1021/jm050172c
BindingDB Entry DOI: 10.7270/Q2862FZV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50168987
PNG
(1-(1-Methyl-1H-pyrrol-2-yl)-2-phenyl-2-pyrrolidin-...)
Show SMILES Cn1cccc1C(=O)C(N1CCCC1)c1ccccc1
Show InChI InChI=1S/C17H20N2O/c1-18-11-7-10-15(18)17(20)16(19-12-5-6-13-19)14-8-3-2-4-9-14/h2-4,7-11,16H,5-6,12-13H2,1H3
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 7.5n/an/an/an/an/an/an/an/a



Università di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibtory concentration for rat Monoamine oxidase A

J Med Chem 48: 4220-3 (2005)


Article DOI: 10.1021/jm050172c
BindingDB Entry DOI: 10.7270/Q2862FZV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50168984
PNG
(1-(1-Methyl-1H-pyrrol-2-yl)-2-phenyl-2-pyrrolidin-...)
Show SMILES Cn1cccc1C(=O)[C@@H](N1CCCC1)c1ccccc1
Show InChI InChI=1S/C17H20N2O/c1-18-11-7-10-15(18)17(20)16(19-12-5-6-13-19)14-8-3-2-4-9-14/h2-4,7-11,16H,5-6,12-13H2,1H3/t16-/m0/s1
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 9.5n/an/an/an/an/an/an/an/a



Università di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibtory concentration for rat Monoamine oxidase A

J Med Chem 48: 4220-3 (2005)


Article DOI: 10.1021/jm050172c
BindingDB Entry DOI: 10.7270/Q2862FZV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50009741
PNG
(1-Ethyl-phenoxathiine 10,10-dioxide | CHEMBL66225)
Show SMILES CCc1cccc2Oc3ccccc3S(=O)(=O)c12
Show InChI InChI=1S/C14H12O3S/c1-2-10-6-5-8-12-14(10)18(15,16)13-9-4-3-7-11(13)17-12/h3-9H,2H2,1H3
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 10n/an/an/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound towards Monoamine Oxidase A in rat

J Med Chem 34: 2931-3 (1991)


BindingDB Entry DOI: 10.7270/Q28S4NW2
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50168982
PNG
(1-(1-Methyl-1H-pyrrol-2-yl)-2-phenyl-2-piperidin-1...)
Show SMILES Cn1cccc1C(=O)[C@H](N1CCCCC1)c1ccccc1
Show InChI InChI=1S/C18H22N2O/c1-19-12-8-11-16(19)18(21)17(15-9-4-2-5-10-15)20-13-6-3-7-14-20/h2,4-5,8-12,17H,3,6-7,13-14H2,1H3/t17-/m1/s1
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 10n/an/an/an/an/an/an/an/a



Università di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibtory concentration for rat Monoamine oxidase A

J Med Chem 48: 4220-3 (2005)


Article DOI: 10.1021/jm050172c
BindingDB Entry DOI: 10.7270/Q2862FZV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50401404
PNG
(CHEMBL2207498)
Show SMILES CCCN1CCC(CC1)c1cc2ccccc2s1
Show InChI InChI=1S/C16H21NS/c1-2-9-17-10-7-13(8-11-17)16-12-14-5-3-4-6-15(14)18-16/h3-6,12-13H,2,7-11H2,1H3
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 18n/an/an/an/an/an/an/an/a



NeuroSearch Sweden AB

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 41-1049 from MAO-A in rat cerebral cortex by competition binding assay

J Med Chem 55: 9735-50 (2012)


Article DOI: 10.1021/jm300975f
BindingDB Entry DOI: 10.7270/Q26974RR
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50341152
PNG
(3-(anthracen-9-yl)-5-(4-nitrophenyl)-4,5-dihydro-1...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C1CC(N=N1)c1c2ccccc2cc2ccccc12 |c:13|
Show InChI InChI=1S/C23H17N3O2/c27-26(28)18-11-9-15(10-12-18)21-14-22(25-24-21)23-19-7-3-1-5-16(19)13-17-6-2-4-8-20(17)23/h1-13,21-22H,14H2
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 20.1n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Competitive inhibition of rat liver MAO-A after 60 mins using p-tyramine as substrate by spectrophotometry

Bioorg Med Chem Lett 21: 1969-73 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.030
BindingDB Entry DOI: 10.7270/Q2JM29XC
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50168983
PNG
(1-(1-Methyl-1H-pyrrol-2-yl)-2-piperidin-1-yl-propa...)
Show SMILES CC(N1CCCCC1)C(=O)c1cccn1C
Show InChI InChI=1S/C13H20N2O/c1-11(15-9-4-3-5-10-15)13(16)12-7-6-8-14(12)2/h6-8,11H,3-5,9-10H2,1-2H3
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 38n/an/an/an/an/an/an/an/a



Università di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibtory concentration for rat Monoamine oxidase A

J Med Chem 48: 4220-3 (2005)


Article DOI: 10.1021/jm050172c
BindingDB Entry DOI: 10.7270/Q2862FZV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50304161
PNG
(3-(2-Thienyl)-2-(N-phenylthiocarbamoyl)-3,3a,4,5,6...)
Show SMILES S=C(Nc1ccccc1)N1N=C2CCCCC2C1c1cccs1 |t:11|
Show InChI InChI=1S/C18H19N3S2/c22-18(19-13-7-2-1-3-8-13)21-17(16-11-6-12-23-16)14-9-4-5-10-15(14)20-21/h1-3,6-8,11-12,14,17H,4-5,9-10H2,(H,19,22)
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 39.1n/an/an/an/an/an/an/an/a



Hacettepe University

Curated by ChEMBL


Assay Description
Competitive inhibition of MAOA in rat liver homogenate by spectrophotometrically

Bioorg Med Chem 17: 6761-72 (2009)


Article DOI: 10.1016/j.bmc.2009.07.033
BindingDB Entry DOI: 10.7270/Q2TQ61M2
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50341160
PNG
(3-(anthracen-9-yl)-5-(3-nitrophenyl)-4,5-dihydro-1...)
Show SMILES [O-][N+](=O)c1cccc(c1)C1CC(N=N1)c1c2ccccc2cc2ccccc12 |c:13|
Show InChI InChI=1S/C23H17N3O2/c27-26(28)18-9-5-8-17(13-18)21-14-22(25-24-21)23-19-10-3-1-6-15(19)12-16-7-2-4-11-20(16)23/h1-13,21-22H,14H2
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 43.9n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Competitive inhibition of rat liver MAO-A after 60 mins using p-tyramine as substrate by spectrophotometry

Bioorg Med Chem Lett 21: 1969-73 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.030
BindingDB Entry DOI: 10.7270/Q2JM29XC
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50213676
PNG
((S)-2-amino-1-(4-ethylthiophenyl)-propane | CHEMBL...)
Show SMILES CCSc1ccc(C[C@H](C)N)cc1
Show InChI InChI=1S/C11H17NS/c1-3-13-11-6-4-10(5-7-11)8-9(2)12/h4-7,9H,3,8,12H2,1-2H3/t9-/m0/s1
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 54n/an/an/an/an/an/an/an/a



University of Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAOA

Bioorg Med Chem 15: 5198-206 (2007)


Article DOI: 10.1016/j.bmc.2007.05.021
BindingDB Entry DOI: 10.7270/Q2DN44RX
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50401405
PNG
(CHEMBL2207497)
Show SMILES CCCN1CCC(CC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C18H23N/c1-2-11-19-12-9-16(10-13-19)18-8-7-15-5-3-4-6-17(15)14-18/h3-8,14,16H,2,9-13H2,1H3
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 63n/an/an/an/an/an/an/an/a



NeuroSearch Sweden AB

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 41-1049 from MAO-A in rat cerebral cortex by competition binding assay

J Med Chem 55: 9735-50 (2012)


Article DOI: 10.1021/jm300975f
BindingDB Entry DOI: 10.7270/Q26974RR
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50168968
PNG
(1-(1-Methyl-1H-pyrrol-2-yl)-2-phenyl-2-thiomorphol...)
Show SMILES Cn1cccc1C(=O)[C@H](N1CCSCC1)c1ccccc1
Show InChI InChI=1S/C17H20N2OS/c1-18-9-5-8-15(18)17(20)16(14-6-3-2-4-7-14)19-10-12-21-13-11-19/h2-9,16H,10-13H2,1H3/t16-/m1/s1
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 76n/an/an/an/an/an/an/an/a



Università di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibtory concentration for rat Monoamine oxidase A

J Med Chem 48: 4220-3 (2005)


Article DOI: 10.1021/jm050172c
BindingDB Entry DOI: 10.7270/Q2862FZV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50341157
PNG
(2-(3-(anthracen-9-yl)-4,5-dihydro-1H-pyrazol-5-yl)...)
Show SMILES Oc1ccccc1C1CC(N=N1)c1c2ccccc2cc2ccccc12 |c:11|
Show InChI InChI=1S/C23H18N2O/c26-22-12-6-5-11-19(22)20-14-21(25-24-20)23-17-9-3-1-7-15(17)13-16-8-2-4-10-18(16)23/h1-13,20-21,26H,14H2
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 77.6n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Competitive inhibition of rat liver MAO-A after 60 mins using p-tyramine as substrate by spectrophotometry

Bioorg Med Chem Lett 21: 1969-73 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.030
BindingDB Entry DOI: 10.7270/Q2JM29XC
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50049694
PNG
(3-(4,5-Dihydro-1H-imidazol-2-yl)-10,10-dioxo-10H-1...)
Show SMILES O=C1c2ccccc2S(=O)(=O)c2cc(ccc12)C1=NCCN1 |t:20|
Show InChI InChI=1S/C16H12N2O3S/c19-15-11-3-1-2-4-13(11)22(20,21)14-9-10(5-6-12(14)15)16-17-7-8-18-16/h1-6,9H,7-8H2,(H,17,18)
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 80n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Ex vivo value for inhibition of MAO A of rats sacrificed 2 hr after po administration

J Med Chem 39: 1857-63 (1996)


Article DOI: 10.1021/jm950595m
BindingDB Entry DOI: 10.7270/Q2TM796B
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50168975
PNG
(1-(1-Methyl-1H-pyrrol-2-yl)-2-phenyl-2-thiomorphol...)
Show SMILES Cn1cccc1C(=O)[C@@H](N1CCSCC1)c1ccccc1
Show InChI InChI=1S/C17H20N2OS/c1-18-9-5-8-15(18)17(20)16(14-6-3-2-4-7-14)19-10-12-21-13-11-19/h2-9,16H,10-13H2,1H3/t16-/m0/s1
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 82n/an/an/an/an/an/an/an/a



Università di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibtory concentration for rat Monoamine oxidase A

J Med Chem 48: 4220-3 (2005)


Article DOI: 10.1021/jm050172c
BindingDB Entry DOI: 10.7270/Q2862FZV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50401413
PNG
(CHEMBL2207488)
Show SMILES CCCN1CCC(CC1)c1coc2ccccc12
Show InChI InChI=1S/C16H21NO/c1-2-9-17-10-7-13(8-11-17)15-12-18-16-6-4-3-5-14(15)16/h3-6,12-13H,2,7-11H2,1H3
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 92n/an/an/an/an/an/an/an/a



NeuroSearch Sweden AB

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 41-1049 from MAO-A in rat cerebral cortex by competition binding assay

J Med Chem 55: 9735-50 (2012)


Article DOI: 10.1021/jm300975f
BindingDB Entry DOI: 10.7270/Q26974RR
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50168969
PNG
(2-Amino-1-(1-methyl-1H-pyrrol-2-yl)-2-phenyl-ethan...)
Show SMILES Cn1cccc1C(=O)C(N)c1ccccc1
Show InChI InChI=1S/C13H14N2O/c1-15-9-5-8-11(15)13(16)12(14)10-6-3-2-4-7-10/h2-9,12H,14H2,1H3
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 95n/an/an/an/an/an/an/an/a



Università di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibtory concentration for rat Monoamine oxidase A

J Med Chem 48: 4220-3 (2005)


Article DOI: 10.1021/jm050172c
BindingDB Entry DOI: 10.7270/Q2862FZV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50341158
PNG
(4-(3-(anthracen-9-yl)-4,5-dihydro-1H-pyrazol-5-yl)...)
Show SMILES Oc1ccc(C2CC(N=N2)c2c3ccccc3cc3ccccc23)c(O)c1 |c:8|
Show InChI InChI=1S/C23H18N2O2/c26-16-9-10-19(22(27)12-16)20-13-21(25-24-20)23-17-7-3-1-5-14(17)11-15-6-2-4-8-18(15)23/h1-12,20-21,26-27H,13H2
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 95.7n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Competitive inhibition of rat liver MAO-A after 60 mins using p-tyramine as substrate by spectrophotometry

Bioorg Med Chem Lett 21: 1969-73 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.030
BindingDB Entry DOI: 10.7270/Q2JM29XC
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50168985
PNG
(1-(1-Methyl-1H-pyrrol-2-yl)-2-phenyl-2-piperidin-1...)
Show SMILES Cn1cccc1C(=O)C(N1CCCCC1)c1ccccc1
Show InChI InChI=1S/C18H22N2O/c1-19-12-8-11-16(19)18(21)17(15-9-4-2-5-10-15)20-13-6-3-7-14-20/h2,4-5,8-12,17H,3,6-7,13-14H2,1H3
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 96n/an/an/an/an/an/an/an/a



Università di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibtory concentration for rat Monoamine oxidase A

J Med Chem 48: 4220-3 (2005)


Article DOI: 10.1021/jm050172c
BindingDB Entry DOI: 10.7270/Q2862FZV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50168971
PNG
(1-(1-Methyl-1H-pyrrol-2-yl)-2-phenyl-2-thiomorphol...)
Show SMILES Cn1cccc1C(=O)C(N1CCSCC1)c1ccccc1
Show InChI InChI=1S/C17H20N2OS/c1-18-9-5-8-15(18)17(20)16(14-6-3-2-4-7-14)19-10-12-21-13-11-19/h2-9,16H,10-13H2,1H3
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 100n/an/an/an/an/an/an/an/a



Università di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibtory concentration for rat Monoamine oxidase A

J Med Chem 48: 4220-3 (2005)


Article DOI: 10.1021/jm050172c
BindingDB Entry DOI: 10.7270/Q2862FZV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50168979
PNG
(1-(1-Methyl-1H-pyrrol-2-yl)-2-phenyl-2-piperidin-1...)
Show SMILES Cn1cccc1C(=O)[C@@H](N1CCCCC1)c1ccccc1
Show InChI InChI=1S/C18H22N2O/c1-19-12-8-11-16(19)18(21)17(15-9-4-2-5-10-15)20-13-6-3-7-14-20/h2,4-5,8-12,17H,3,6-7,13-14H2,1H3/t17-/m0/s1
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 100n/an/an/an/an/an/an/an/a



Università di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibtory concentration for rat Monoamine oxidase A

J Med Chem 48: 4220-3 (2005)


Article DOI: 10.1021/jm050172c
BindingDB Entry DOI: 10.7270/Q2862FZV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50213677
PNG
((S)-2-amino-1-(4-propylthiophenyl)-propane | CHEMB...)
Show SMILES CCCSc1ccc(C[C@H](C)N)cc1
Show InChI InChI=1S/C12H19NS/c1-3-8-14-12-6-4-11(5-7-12)9-10(2)13/h4-7,10H,3,8-9,13H2,1-2H3/t10-/m0/s1
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 115n/an/an/an/an/an/an/an/a



University of Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAOA

Bioorg Med Chem 15: 5198-206 (2007)


Article DOI: 10.1016/j.bmc.2007.05.021
BindingDB Entry DOI: 10.7270/Q2DN44RX
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50276773
PNG
(1-(4-propoxyphenyl)propan-2-amine | CHEMBL455991)
Show SMILES CCCOc1ccc(CC(C)N)cc1
Show InChI InChI=1S/C12H19NO/c1-3-8-14-12-6-4-11(5-7-12)9-10(2)13/h4-7,10H,3,8-9,13H2,1-2H3
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 130n/an/an/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Inhibition of MAOA in rat brain mitochondria

Bioorg Med Chem 17: 2452-60 (2009)


Article DOI: 10.1016/j.bmc.2009.01.074
BindingDB Entry DOI: 10.7270/Q2KW5GZ3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50276190
PNG
((6-Methoxy-2-naphthyl)-2-aminopropane | CHEMBL4434...)
Show SMILES COc1ccc2cc(CC(C)N)ccc2c1
Show InChI InChI=1S/C14H17NO/c1-10(15)7-11-3-4-13-9-14(16-2)6-5-12(13)8-11/h3-6,8-10H,7,15H2,1-2H3
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 180n/an/an/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Inhibition of MAOA in rat brain mitochondria

Bioorg Med Chem 17: 2452-60 (2009)


Article DOI: 10.1016/j.bmc.2009.01.074
BindingDB Entry DOI: 10.7270/Q2KW5GZ3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50005270
PNG
(1-(4-ethoxyphenyl)propan-2-amine | 2-(4-Ethoxy-phe...)
Show SMILES CCOc1ccc(CC(C)N)cc1
Show InChI InChI=1S/C11H17NO/c1-3-13-11-6-4-10(5-7-11)8-9(2)12/h4-7,9H,3,8,12H2,1-2H3
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 220n/an/an/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Inhibition of MAOA in rat brain mitochondria

Bioorg Med Chem 17: 2452-60 (2009)


Article DOI: 10.1016/j.bmc.2009.01.074
BindingDB Entry DOI: 10.7270/Q2KW5GZ3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50341161
PNG
(3-(anthracen-9-yl)-5-(4-methoxyphenyl)-4,5-dihydro...)
Show SMILES COc1ccc(cc1)C1CC(N=N1)c1c2ccccc2cc2ccccc12 |c:12|
Show InChI InChI=1S/C24H20N2O/c1-27-19-12-10-16(11-13-19)22-15-23(26-25-22)24-20-8-4-2-6-17(20)14-18-7-3-5-9-21(18)24/h2-14,22-23H,15H2,1H3
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 230n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Competitive inhibition of rat liver MAO-A after 60 mins using p-tyramine as substrate by spectrophotometry

Bioorg Med Chem Lett 21: 1969-73 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.030
BindingDB Entry DOI: 10.7270/Q2JM29XC
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50386543
PNG
(CHEMBL2048230)
Show SMILES CCCN1CCC(CC1)c1ccc(OC)cc1
Show InChI InChI=1S/C15H23NO/c1-3-10-16-11-8-14(9-12-16)13-4-6-15(17-2)7-5-13/h4-7,14H,3,8-12H2,1-2H3
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 240n/an/an/an/an/an/an/an/a



NeuroSearch Sweden AB

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro 41-1049 from MAO-A receptor in rat cerebral cortex

J Med Chem 55: 3242-9 (2012)


Article DOI: 10.1021/jm201692d
BindingDB Entry DOI: 10.7270/Q2DN4637
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50087804
PNG
((1-Methyl-1H-indol-2-ylmethyl)-prop-2-ynyl-amine |...)
Show SMILES Cn1c(CNCC#C)cc2ccccc12
Show InChI InChI=1S/C13H14N2/c1-3-8-14-10-12-9-11-6-4-5-7-13(11)15(12)2/h1,4-7,9,14H,8,10H2,2H3
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 240n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase A

J Med Chem 43: 1684-91 (2000)


BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50341159
PNG
(2-(3-(anthracen-9-yl)-4,5-dihydro-1H-pyrazol-5-yl)...)
Show SMILES C1C(N=NC1c1c2ccccc2cc2ccccc12)c1ccccn1 |c:2|
Show InChI InChI=1S/C22H17N3/c1-3-9-17-15(7-1)13-16-8-2-4-10-18(16)22(17)21-14-20(24-25-21)19-11-5-6-12-23-19/h1-13,20-21H,14H2
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 242n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Competitive inhibition of rat liver MAO-A after 60 mins using p-tyramine as substrate by spectrophotometry

Bioorg Med Chem Lett 21: 1969-73 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.030
BindingDB Entry DOI: 10.7270/Q2JM29XC
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50213675
PNG
((S)-2-amino-1-(4-methylthiophenyl)-propane | CHEMB...)
Show SMILES CSc1ccc(C[C@H](C)N)cc1
Show InChI InChI=1S/C10H15NS/c1-8(11)7-9-3-5-10(12-2)6-4-9/h3-6,8H,7,11H2,1-2H3/t8-/m0/s1
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 245n/an/an/an/an/an/an/an/a



University of Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAOA

Bioorg Med Chem 15: 5198-206 (2007)


Article DOI: 10.1016/j.bmc.2007.05.021
BindingDB Entry DOI: 10.7270/Q2DN44RX
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50024209
PNG
((+/-)2-(4-Methoxy-phenyl)-1-methyl-ethylamine | (-...)
Show SMILES COc1ccc(CC(C)N)cc1
Show InChI InChI=1S/C10H15NO/c1-8(11)7-9-3-5-10(12-2)6-4-9/h3-6,8H,7,11H2,1-2H3
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 250n/an/an/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Inhibition of MAOA in rat brain mitochondria

Bioorg Med Chem 17: 2452-60 (2009)


Article DOI: 10.1016/j.bmc.2009.01.074
BindingDB Entry DOI: 10.7270/Q2KW5GZ3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50063544
PNG
(1-(6-(methylthio)naphthalen-2-yl)propan-2-amine | ...)
Show SMILES CSc1ccc(CC(C)N)cc1
Show InChI InChI=1S/C10H15NS/c1-8(11)7-9-3-5-10(12-2)6-4-9/h3-6,8H,7,11H2,1-2H3
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 250n/an/an/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Inhibition of MAOA in rat brain mitochondria

Bioorg Med Chem 17: 2452-60 (2009)


Article DOI: 10.1016/j.bmc.2009.01.074
BindingDB Entry DOI: 10.7270/Q2KW5GZ3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50276774
PNG
(1-(4-butoxyphenyl)propan-2-amine | CHEMBL456012)
Show SMILES CCCCOc1ccc(CC(C)N)cc1
Show InChI InChI=1S/C13H21NO/c1-3-4-9-15-13-7-5-12(6-8-13)10-11(2)14/h5-8,11H,3-4,9-10,14H2,1-2H3
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 320n/an/an/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Inhibition of MAOA in rat brain mitochondria

Bioorg Med Chem 17: 2452-60 (2009)


Article DOI: 10.1016/j.bmc.2009.01.074
BindingDB Entry DOI: 10.7270/Q2KW5GZ3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50341154
PNG
(3-(anthracen-9-yl)-5-(4-chlorophenyl)-4,5-dihydro-...)
Show SMILES Clc1ccc(cc1)C1CC(N=N1)c1c2ccccc2cc2ccccc12 |c:11|
Show InChI InChI=1S/C23H17ClN2/c24-18-11-9-15(10-12-18)21-14-22(26-25-21)23-19-7-3-1-5-16(19)13-17-6-2-4-8-20(17)23/h1-13,21-22H,14H2
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 320n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Competitive inhibition of rat liver MAO-A after 60 mins using p-tyramine as substrate by spectrophotometry

Bioorg Med Chem Lett 21: 1969-73 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.030
BindingDB Entry DOI: 10.7270/Q2JM29XC
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50168973
PNG
(2-(4-Methyl-piperazin-1-yl)-1-(1-methyl-1H-pyrrol-...)
Show SMILES CN1CCN(CC1)C(C(=O)c1cccn1C)c1ccccc1
Show InChI InChI=1S/C18H23N3O/c1-19-11-13-21(14-12-19)17(15-7-4-3-5-8-15)18(22)16-9-6-10-20(16)2/h3-10,17H,11-14H2,1-2H3
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 347n/an/an/an/an/an/an/an/a



Università di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibtory concentration for rat Monoamine oxidase A

J Med Chem 48: 4220-3 (2005)


Article DOI: 10.1021/jm050172c
BindingDB Entry DOI: 10.7270/Q2862FZV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50168977
PNG
(1-(1-Methyl-1H-pyrrol-2-yl)-2-morpholin-4-yl-2-phe...)
Show SMILES Cn1cccc1C(=O)C(N1CCOCC1)c1ccccc1
Show InChI InChI=1S/C17H20N2O2/c1-18-9-5-8-15(18)17(20)16(14-6-3-2-4-7-14)19-10-12-21-13-11-19/h2-9,16H,10-13H2,1H3
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 350n/an/an/an/an/an/an/an/a



Università di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibtory concentration for rat Monoamine oxidase A

J Med Chem 48: 4220-3 (2005)


Article DOI: 10.1021/jm050172c
BindingDB Entry DOI: 10.7270/Q2862FZV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50305216
PNG
(3,5-bis-(2-hydroxyphenyl)-1N-(4-methyl benzenesulp...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1N=C(CC1c1ccccc1O)c1ccccc1O |c:12|
Show InChI InChI=1S/C22H20N2O4S/c1-15-10-12-16(13-11-15)29(27,28)24-20(18-7-3-5-9-22(18)26)14-19(23-24)17-6-2-4-8-21(17)25/h2-13,20,25-26H,14H2,1H3
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 360n/an/an/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in rat liver homogenate by spectrophotometry-based Holt method

Bioorg Med Chem Lett 20: 132-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.015
BindingDB Entry DOI: 10.7270/Q2F76CPV
More data for this
Ligand-Target Pair
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