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Compile Data Set for Download or QSAR

Found 3331 hits Enz. Inhib. hit(s) with Target = 'Amine oxidase [flavin-containing]'   
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
Monoamine oxidase


(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)


Article DOI: 10.1021/jm991164x
BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(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
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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0.450n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Competitive inhibition of rat liver MAO-B 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
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50341161
PNG
(3-(anthracen-9-yl)-5-(4-methoxyphenyl)-4,5-dihydro...)
Show SMILES COc1ccc(cc1)C1CC(N=N1)c1c2ccccc2cc2ccccc12
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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0.600n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Competitive inhibition of rat liver MAO-B 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
Monoamine oxidase


(Bos taurus)
BDBM50361606
PNG
(CHEMBL1939851)
Show SMILES CCn1ccc(c1)N1C[C@H](COC)OC1=O
Show InChI InChI=1S/C11H16N2O3/c1-3-12-5-4-9(6-12)13-7-10(8-15-2)16-11(13)14/h4-6,10H,3,7-8H2,1-2H3/t10-/m1/s1
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0.600n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kynuramine as a substrate after 30 mins by spectrofluorometric method


J Med Chem 54: 8228-32 (2011)


Article DOI: 10.1021/jm201011x
BindingDB Entry DOI: 10.7270/Q2GX4C1S
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50087800
PNG
((5-Benzyloxy-1H-indol-2-ylmethyl)-prop-2-ynyl-amin...)
Show SMILES C#CCNCc1cc2cc(OCc3ccccc3)ccc2[nH]1
Show InChI InChI=1S/C19H18N2O/c1-2-10-20-13-17-11-16-12-18(8-9-19(16)21-17)22-14-15-6-4-3-5-7-15/h1,3-9,11-12,20-21H,10,13-14H2
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0.75n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase B


J Med Chem 43: 1684-91 (2000)


Article DOI: 10.1021/jm991164x
BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair
Monoamine oxidase


(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)


Article DOI: 10.1021/jm991164x
BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50361609
PNG
(CHEMBL1939853)
Show SMILES CCn1ccc(c1)N1C[C@H](CN=[N+]=[N-])OC1=O
Show InChI InChI=1S/C10H13N5O2/c1-2-14-4-3-8(6-14)15-7-9(5-12-13-11)17-10(15)16/h3-4,6,9H,2,5,7H2,1H3/t9-/m0/s1
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0.800n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kynuramine as a substrate after 30 mins by spectrofluorometric method


J Med Chem 54: 8228-32 (2011)


Article DOI: 10.1021/jm201011x
BindingDB Entry DOI: 10.7270/Q2GX4C1S
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50304157
PNG
(3-(2-Thienyl)-2-thiocarbamoyl-2,3,4,5,6,7-hexahydr...)
Show SMILES NC(=S)N1N=C2CCCCC2C1c1cccs1
Show InChI InChI=1S/C12H15N3S2/c13-12(16)15-11(10-6-3-7-17-10)8-4-1-2-5-9(8)14-15/h3,6-8,11H,1-2,4-5H2,(H2,13,16)
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0.900n/an/an/an/an/an/an/an/a



Hacettepe University

Curated by ChEMBL


Assay Description
Competitive inhibition of MAOB 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
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50304152
PNG
(3-(2-Furyl)-2-thiocarbamoyl-2,3,4,5,6,7-hexahydro-...)
Show SMILES NC(=S)N1N=C2CCCCC2C1c1ccco1
Show InChI InChI=1S/C12H15N3OS/c13-12(17)15-11(10-6-3-7-16-10)8-4-1-2-5-9(8)14-15/h3,6-8,11H,1-2,4-5H2,(H2,13,17)
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0.960n/an/an/an/an/an/an/an/a



Hacettepe University

Curated by ChEMBL


Assay Description
Competitive inhibition of MAOB 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
Monoamine oxidase


(Bos taurus)
BDBM50273595
PNG
(CHEMBL462097 | N-(1H-Indol-2-ylmethyl)-N-methyl-N-...)
Show SMILES CN(CCc1ccccc1)Cc1cc2ccccc2[nH]1
Show InChI InChI=1S/C18H20N2/c1-20(12-11-15-7-3-2-4-8-15)14-17-13-16-9-5-6-10-18(16)19-17/h2-10,13,19H,11-12,14H2,1H3
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1n/an/an/an/an/an/an/an/a



Sapienza Università di Roma

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondrial MAO-A by fluorometric assay


Bioorg Med Chem 16: 9729-40 (2008)


Article DOI: 10.1016/j.bmc.2008.09.072
BindingDB Entry DOI: 10.7270/Q20001ZK
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Bos taurus)
BDBM11014
PNG
((-)-(S)1 | (5S)-5-(4-chlorophenyl)-3-(4-methylphen...)
Show SMILES Cc1ccc(cc1)C1=NN([C@@H](C1)c1ccc(Cl)cc1)C(N)=S
Show InChI InChI=1S/C17H16ClN3S/c1-11-2-4-12(5-3-11)15-10-16(21(20-15)17(19)22)13-6-8-14(18)9-7-13/h2-9,16H,10H2,1H3,(H2,19,22)/t16-/m0/s1
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1 -53.6n/an/an/an/an/a7.438



Universita degli Studi di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kynuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 48: 7113-22 (2005)


Article DOI: 10.1021/jm040903t
BindingDB Entry DOI: 10.7270/Q2JH3JDW
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50361607
PNG
(CHEMBL1938411)
Show SMILES COC[C@H]1CN(C(=O)O1)c1ccn(CC=C)c1
Show InChI InChI=1S/C12H16N2O3/c1-3-5-13-6-4-10(7-13)14-8-11(9-16-2)17-12(14)15/h3-4,6-7,11H,1,5,8-9H2,2H3/t11-/m1/s1
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1n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kynuramine as a substrate after 30 mins by spectrofluorometric method


J Med Chem 54: 8228-32 (2011)


Article DOI: 10.1021/jm201011x
BindingDB Entry DOI: 10.7270/Q2GX4C1S
More data for this
Ligand-Target Pair
Monoamine oxidase


(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)


Article DOI: 10.1021/jm991164x
BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Bos taurus)
BDBM11004
PNG
(1-thiocarbamoyl-3,5-diaryl-4,5-dihydro-(1H)-pyrazo...)
Show SMILES Cc1ccc(cc1)C1=NN(C(C1)c1ccc(Cl)cc1)C(N)=S
Show InChI InChI=1S/C17H16ClN3S/c1-11-2-4-12(5-3-11)15-10-16(21(20-15)17(19)22)13-6-8-14(18)9-7-13/h2-9,16H,10H2,1H3,(H2,19,22)
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1.5 -52.6n/an/an/an/an/a7.438



Universita degli Studi di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kynuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 48: 7113-22 (2005)


Article DOI: 10.1021/jm040903t
BindingDB Entry DOI: 10.7270/Q2JH3JDW
More data for this
Ligand-Target Pair
Monoamine oxidase


(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)


Article DOI: 10.1021/jm991164x
BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50273561
PNG
(CHEMBL459336 | N-Methyl,N-(3-phenylpropyl)-1-methy...)
Show SMILES CN(CCCc1ccccc1)C(=O)c1cc2ccccc2n1C
Show InChI InChI=1S/C20H22N2O/c1-21(14-8-11-16-9-4-3-5-10-16)20(23)19-15-17-12-6-7-13-18(17)22(19)2/h3-7,9-10,12-13,15H,8,11,14H2,1-2H3
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1.5n/an/an/an/an/an/an/an/a



Sapienza Università di Roma

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondrial MAO-B by fluorometric assay


Bioorg Med Chem 16: 9729-40 (2008)


Article DOI: 10.1016/j.bmc.2008.09.072
BindingDB Entry DOI: 10.7270/Q20001ZK
More data for this
Ligand-Target Pair
Monoamine Oxidase Type A (MAO-A)


(Bos taurus)
BDBM15604
PNG
((R)-N-(alpha-Cyclohexylethyl),N-methyl-1H-pyrrole-...)
Show SMILES C[C@H](C1CCCCC1)N(C)C(=O)c1ccc[nH]1
Show InChI InChI=1S/C14H22N2O/c1-11(12-7-4-3-5-8-12)16(2)14(17)13-9-6-10-15-13/h6,9-12,15H,3-5,7-8H2,1-2H3/t11-/m1/s1
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1.70n/an/an/an/an/an/an/an/a



Universita di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kinuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 50: 922-31 (2007)


Article DOI: 10.1021/jm060882y
BindingDB Entry DOI: 10.7270/Q2GH9G61
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50341154
PNG
(3-(anthracen-9-yl)-5-(4-chlorophenyl)-4,5-dihydro-...)
Show SMILES Clc1ccc(cc1)C1CC(N=N1)c1c2ccccc2cc2ccccc12
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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2.10n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Competitive inhibition of rat liver MAO-B 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
Monoamine Oxidase Type B (MAO-B)


(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
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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2.30n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Competitive inhibition of rat liver MAO-B 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
Monoamine oxidase


(Bos taurus)
BDBM50110715
PNG
(5-Methoxymethyl-3-[4-(4,4,4-trifluoro-3-hydroxy-bu...)
Show SMILES COC[C@@H]1CN(C(=O)O1)c1ccc(OCC[C@H](O)C(F)(F)F)cc1
Show InChI InChI=1S/C15H18F3NO5/c1-22-9-12-8-19(14(21)24-12)10-2-4-11(5-3-10)23-7-6-13(20)15(16,17)18/h2-5,12-13,20H,6-9H2,1H3/t12-,13-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondrial Monoamine oxidase A (MAO-A) compared to toloxatone


J Med Chem 45: 1180-3 (2002)


Article DOI: 10.1021/jm015578d
BindingDB Entry DOI: 10.7270/Q28W3F11
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50361617
PNG
(BEFLOXATONE)
Show SMILES COC[C@H]1CN(C(=O)O1)c1ccc(OCC[C@@H](O)C(F)(F)F)cc1
Show InChI InChI=1S/C15H18F3NO5/c1-22-9-12-8-19(14(21)24-12)10-2-4-11(5-3-10)23-7-6-13(20)15(16,17)18/h2-5,12-13,20H,6-9H2,1H3/t12-,13-/m1/s1
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2.5n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kynuramine as a substrate after 30 mins by spectrofluorometric method


J Med Chem 54: 8228-32 (2011)


Article DOI: 10.1021/jm201011x
BindingDB Entry DOI: 10.7270/Q2GX4C1S
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Bos taurus)
BDBM11015
PNG
((+)-(R)1 | (5R)-5-(4-chlorophenyl)-3-(4-methylphen...)
Show SMILES Cc1ccc(cc1)C1=NN([C@H](C1)c1ccc(Cl)cc1)C(N)=S
Show InChI InChI=1S/C17H16ClN3S/c1-11-2-4-12(5-3-11)15-10-16(21(20-15)17(19)22)13-6-8-14(18)9-7-13/h2-9,16H,10H2,1H3,(H2,19,22)/t16-/m1/s1
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2.70 -51.0n/an/an/an/an/a7.438



Universita degli Studi di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kynuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 48: 7113-22 (2005)


Article DOI: 10.1021/jm040903t
BindingDB Entry DOI: 10.7270/Q2JH3JDW
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50361603
PNG
(CHEMBL1939848)
Show SMILES CCn1ccc(c1)N1C[C@H](CO)OC1=O
Show InChI InChI=1S/C10H14N2O3/c1-2-11-4-3-8(5-11)12-6-9(7-13)15-10(12)14/h3-5,9,13H,2,6-7H2,1H3/t9-/m1/s1
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3n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kynuramine as a substrate after 30 mins by spectrofluorometric method


J Med Chem 54: 8228-32 (2011)


Article DOI: 10.1021/jm201011x
BindingDB Entry DOI: 10.7270/Q2GX4C1S
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(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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3n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase B


J Med Chem 43: 1684-91 (2000)


Article DOI: 10.1021/jm991164x
BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50341156
PNG
(3-(anthracen-9-yl)-5-phenyl-4,5-dihydro-1H-pyrazol...)
Show SMILES C1C(N=NC1c1c2ccccc2cc2ccccc12)c1ccccc1
Show InChI InChI=1S/C23H18N2/c1-2-8-16(9-3-1)21-15-22(25-24-21)23-19-12-6-4-10-17(19)14-18-11-5-7-13-20(18)23/h1-14,21-22H,15H2
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3.43n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Competitive inhibition of rat liver MAO-B 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
Monoamine oxidase


(Bos taurus)
BDBM50273486
PNG
(CHEMBL464597 | N-Methyl,N-phenyl-1H-indole-2-carbo...)
Show SMILES CN(C(=O)c1cc2ccccc2[nH]1)c1ccccc1
Show InChI InChI=1S/C16H14N2O/c1-18(13-8-3-2-4-9-13)16(19)15-11-12-7-5-6-10-14(12)17-15/h2-11,17H,1H3
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3.5n/an/an/an/an/an/an/an/a



Sapienza Università di Roma

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondrial MAO-A by fluorometric assay


Bioorg Med Chem 16: 9729-40 (2008)


Article DOI: 10.1016/j.bmc.2008.09.072
BindingDB Entry DOI: 10.7270/Q20001ZK
More data for this
Ligand-Target Pair
Monoamine oxidase


(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
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50341155
PNG
(3-(anthracen-9-yl)-5-p-tolyl-4,5-dihydro-1H-pyrazo...)
Show SMILES Cc1ccc(cc1)C1CC(N=N1)c1c2ccccc2cc2ccccc12
Show InChI InChI=1S/C24H20N2/c1-16-10-12-17(13-11-16)22-15-23(26-25-22)24-20-8-4-2-6-18(20)14-19-7-3-5-9-21(19)24/h2-14,22-23H,15H2,1H3
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3.80n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Competitive inhibition of rat liver MAO-B 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
Monoamine oxidase


(Bos taurus)
BDBM50361610
PNG
(CHEMBL1939854)
Show SMILES C=CCn1ccc(c1)N1C[C@H](CN=[N+]=[N-])OC1=O
Show InChI InChI=1S/C11H13N5O2/c1-2-4-15-5-3-9(7-15)16-8-10(6-13-14-12)18-11(16)17/h2-3,5,7,10H,1,4,6,8H2/t10-/m0/s1
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4n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kynuramine as a substrate after 30 mins by spectrofluorometric method


J Med Chem 54: 8228-32 (2011)


Article DOI: 10.1021/jm201011x
BindingDB Entry DOI: 10.7270/Q2GX4C1S
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(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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4n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase B


J Med Chem 43: 1684-91 (2000)


Article DOI: 10.1021/jm991164x
BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair
Monoamine oxidase


(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)


Article DOI: 10.1021/jm991164x
BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair
Monoamine Oxidase Type A (MAO-A)


(Bos taurus)
BDBM11006
PNG
(1-thiocarbamoyl-3,5-diaryl-4,5-dihydro-(1H)-pyrazo...)
Show SMILES Cc1ccc(cc1)C1=NN(C(C1)c1ccco1)C(N)=S
Show InChI InChI=1S/C15H15N3OS/c1-10-4-6-11(7-5-10)12-9-13(14-3-2-8-19-14)18(17-12)15(16)20/h2-8,13H,9H2,1H3,(H2,16,20)
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4 -50.0n/an/an/an/an/a7.438



Universita degli Studi di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kynuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 48: 7113-22 (2005)


Article DOI: 10.1021/jm040903t
BindingDB Entry DOI: 10.7270/Q2JH3JDW
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50273528
PNG
(CHEMBL460608 | N-Methyl,N-(2-phenylethyl)-1H-indol...)
Show SMILES CN(CCc1ccccc1)C(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C18H18N2O/c1-20(12-11-14-7-3-2-4-8-14)18(21)17-13-15-9-5-6-10-16(15)19-17/h2-10,13,19H,11-12H2,1H3
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4n/an/an/an/an/an/an/an/a



Sapienza Università di Roma

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondrial MAO-A by fluorometric assay


Bioorg Med Chem 16: 9729-40 (2008)


Article DOI: 10.1016/j.bmc.2008.09.072
BindingDB Entry DOI: 10.7270/Q20001ZK
More data for this
Ligand-Target Pair
Monoamine oxidase


(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
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
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50304156
PNG
(3-(2-Furyl)-2-(N-phenyllthiocarbamoyl)-3,3a,4,5,6,...)
Show SMILES S=C(Nc1ccccc1)N1N=C2CCCCC2C1c1ccco1
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
Monoamine oxidase


(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)


Article DOI: 10.1021/jm991164x
BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(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
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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4.77n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Competitive inhibition of rat liver MAO-B 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
Monoamine oxidase


(Bos taurus)
BDBM50110719
PNG
(5-Methoxymethyl-3-pyrrol-1-yl-oxazolidin-2-one | C...)
Show SMILES COC[C@H]1CN(C(=O)O1)n1cccc1
Show InChI InChI=1S/C9H12N2O3/c1-13-7-8-6-11(9(12)14-8)10-4-2-3-5-10/h2-5,8H,6-7H2,1H3/t8-/m1/s1
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4.90n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondrial Monoamine oxidase A (MAO-A) compared to toloxatone


J Med Chem 45: 1180-3 (2002)


Article DOI: 10.1021/jm015578d
BindingDB Entry DOI: 10.7270/Q28W3F11
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50273530
PNG
(CHEMBL460609 | N-(3-Phenylpropyl)-1H-indole-2-carb...)
Show SMILES O=C(NCCCc1ccccc1)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C18H18N2O/c21-18(17-13-15-10-4-5-11-16(15)20-17)19-12-6-9-14-7-2-1-3-8-14/h1-5,7-8,10-11,13,20H,6,9,12H2,(H,19,21)
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5n/an/an/an/an/an/an/an/a



Sapienza Università di Roma

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondrial MAO-A by fluorometric assay


Bioorg Med Chem 16: 9729-40 (2008)


Article DOI: 10.1016/j.bmc.2008.09.072
BindingDB Entry DOI: 10.7270/Q20001ZK
More data for this
Ligand-Target Pair
Monoamine oxidase


(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
Monoamine Oxidase Type A (MAO-A)


(Bos taurus)
BDBM11016
PNG
((-)-(S)4 | (5S)-5-(4-chlorophenyl)-3-(4-fluorophen...)
Show SMILES NC(=S)N1N=C(C[C@H]1c1ccc(Cl)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C16H13ClFN3S/c17-12-5-1-11(2-6-12)15-9-14(20-21(15)16(19)22)10-3-7-13(18)8-4-10/h1-8,15H,9H2,(H2,19,22)/t15-/m0/s1
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5 -49.4n/an/an/an/an/a7.438



Universita degli Studi di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kynuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 48: 7113-22 (2005)


Article DOI: 10.1021/jm040903t
BindingDB Entry DOI: 10.7270/Q2JH3JDW
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400133
PNG
(CHEMBL2178987)
Show SMILES Cc1c(C)c(=O)oc2cc(OCC(=O)NN)ccc12
Show InChI InChI=1S/C13H14N2O4/c1-7-8(2)13(17)19-11-5-9(3-4-10(7)11)18-6-12(16)15-14/h3-5H,6,14H2,1-2H3,(H,15,16)
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5n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400125
PNG
(CHEMBL2178426)
Show SMILES CCN(CC)CCSc1nnc(COc2ccc3c(C)c(C)c(=O)oc3c2)s1
Show InChI InChI=1S/C20H25N3O3S2/c1-5-23(6-2)9-10-27-20-22-21-18(28-20)12-25-15-7-8-16-13(3)14(4)19(24)26-17(16)11-15/h7-8,11H,5-6,9-10,12H2,1-4H3
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5.20n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50124548
PNG
(CHEMBL441306 | Methyl-prop-2-ynyl-[1-(1H-pyrrol-2-...)
Show SMILES CN(CC#C)C(=C)c1ccc[nH]1
Show InChI InChI=1S/C10H12N2/c1-4-8-12(3)9(2)10-6-5-7-11-10/h1,5-7,11H,2,8H2,3H3
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5.40n/an/an/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory activity against monoamine oxidase A in isolated bovine brain mitochondria


J Med Chem 46: 917-20 (2003)


Article DOI: 10.1021/jm0256124
BindingDB Entry DOI: 10.7270/Q20V8C52
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM15608
PNG
(CHEMBL353159 | N-Methyl,N-propargyl-1H-pyrrole-2-c...)
Show SMILES CN(CC#C)C(=O)c1ccc[nH]1
Show InChI InChI=1S/C9H10N2O/c1-3-7-11(2)9(12)8-5-4-6-10-8/h1,4-6,10H,7H2,2H3
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5.40n/an/an/an/an/an/an/an/a



Padmashri Vikhe Patil College

Curated by ChEMBL


Assay Description
Inhibition of bovine MAO-A using kinuramine as substrate by fluorometric method


Eur J Med Chem 110: 13-31 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.017
BindingDB Entry DOI: 10.7270/Q2S75J6C
More data for this
Ligand-Target Pair
Monoamine Oxidase Type A (MAO-A)


(Bos taurus)
BDBM15611
PNG
(N-Methyl,N-(propargyl),N-(pyrrol-2-ylmethyl)amine ...)
Show SMILES CN(CC#C)Cc1ccc[nH]1
Show InChI InChI=1S/C9H12N2/c1-3-7-11(2)8-9-5-4-6-10-9/h1,4-6,10H,7-8H2,2H3
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5.40n/an/an/an/an/an/an/an/a



Universita di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kinuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 50: 922-31 (2007)


Article DOI: 10.1021/jm060882y
BindingDB Entry DOI: 10.7270/Q2GH9G61
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400107
PNG
(CHEMBL2178981)
Show SMILES Cc1c(C)c(=O)oc2cc(OCC(=O)N\N=C\c3ccc(Cl)cc3)ccc12
Show InChI InChI=1S/C20H17ClN2O4/c1-12-13(2)20(25)27-18-9-16(7-8-17(12)18)26-11-19(24)23-22-10-14-3-5-15(21)6-4-14/h3-10H,11H2,1-2H3,(H,23,24)/b22-10+
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5.5n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(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
Monoamine oxidase


(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)


Article DOI: 10.1021/jm991164x
BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400121
PNG
(CHEMBL2178430)
Show SMILES Cc1c(C)c(=O)oc2cc(OCc3nnc(SCCN4CCOCC4)s3)ccc12
Show InChI InChI=1S/C20H23N3O4S2/c1-13-14(2)19(24)27-17-11-15(3-4-16(13)17)26-12-18-21-22-20(29-18)28-10-7-23-5-8-25-9-6-23/h3-4,11H,5-10,12H2,1-2H3
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5.70n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
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