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Compile Data Set for Download or QSAR

Found 890 hits of ki data for polymerid = 1129,384   
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
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


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


(Homo sapiens (Human))
BDBM50292171
PNG
(1-[3-(4-Hydroxy-phenyl)-5-(2-methoxy-phenyl)-4,5-d...)
Show SMILES COc1ccccc1C1CC(=NN1C(C)=O)c1ccc(O)cc1
Show InChI InChI=1S/C18H18N2O3/c1-12(21)20-17(15-5-3-4-6-18(15)23-2)11-16(19-20)13-7-9-14(22)10-8-13/h3-10,17,22H,11H2,1-2H3
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2n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Binding affinity was evaluated against human monoamino oxidase A


J Med Chem 47: 2071-4 (2004)

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)

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


(Homo sapiens (Human))
BDBM50333418
PNG
(7-(4,4,4-Trifluorobutoxy)-1-methyl-beta-carboline ...)
Show SMILES Cc1nccc2c3ccc(OCCCC(F)(F)F)cc3[nH]c12
Show InChI InChI=1S/C16H15F3N2O/c1-10-15-13(5-7-20-10)12-4-3-11(9-14(12)21-15)22-8-2-6-16(17,18)19/h3-5,7,9,21H,2,6,8H2,1H3
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3.60n/an/an/an/an/an/an/an/a



Facult£s Universitaires Notre-Dame de la Paix

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus-infected Bacillus thuringiensis israelensis cells after 1 hr by two-step bioluminescen...


Bioorg Med Chem 19: 134-44 (2011)

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


(Homo sapiens (Human))
BDBM50333415
PNG
(7-(Isobutyloxy)-1-methyl-beta-carboline | CHEMBL16...)
Show SMILES CC(C)COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C16H18N2O/c1-10(2)9-19-12-4-5-13-14-6-7-17-11(3)16(14)18-15(13)8-12/h4-8,10,18H,9H2,1-3H3
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3.90n/an/an/an/an/an/an/an/a



Facult£s Universitaires Notre-Dame de la Paix

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus-infected Bacillus thuringiensis israelensis cells after 1 hr by two-step bioluminescen...


Bioorg Med Chem 19: 134-44 (2011)

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


(Homo sapiens (Human))
BDBM50292163
PNG
(1-[3-(2,4-Dihydroxy-phenyl)-5-(2-methoxy-phenyl)-4...)
Show SMILES COc1ccccc1C1CC(=NN1C(C)=O)c1ccc(O)cc1O
Show InChI InChI=1S/C18H18N2O4/c1-11(21)20-16(14-5-3-4-6-18(14)24-2)10-15(19-20)13-8-7-12(22)9-17(13)23/h3-9,16,22-23H,10H2,1-2H3
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4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Binding affinity was evaluated against human monoamino oxidase A


J Med Chem 47: 2071-4 (2004)

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)

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


Citation and Details
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)

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


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


(Homo sapiens (Human))
BDBM50333419
PNG
(7-(Cyclohexylmethoxy)-1-methyl-beta-carboline | CH...)
Show SMILES Cc1nccc2c3ccc(OCC4CCCCC4)cc3[nH]c12
Show InChI InChI=1S/C19H22N2O/c1-13-19-17(9-10-20-13)16-8-7-15(11-18(16)21-19)22-12-14-5-3-2-4-6-14/h7-11,14,21H,2-6,12H2,1H3
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4.30n/an/an/an/an/an/an/an/a



Facult£s Universitaires Notre-Dame de la Paix

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus-infected Bacillus thuringiensis israelensis cells after 1 hr by two-step bioluminescen...


Bioorg Med Chem 19: 134-44 (2011)

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


(Homo sapiens (Human))
BDBM50333421
PNG
(7-(Phenethoxy)-1-methyl-beta-carboline | CHEMBL164...)
Show SMILES Cc1nccc2c3ccc(OCCc4ccccc4)cc3[nH]c12
Show InChI InChI=1S/C20H18N2O/c1-14-20-18(9-11-21-14)17-8-7-16(13-19(17)22-20)23-12-10-15-5-3-2-4-6-15/h2-9,11,13,22H,10,12H2,1H3
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5n/an/an/an/an/an/an/an/a



Facult£s Universitaires Notre-Dame de la Paix

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus-infected Bacillus thuringiensis israelensis cells after 1 hr by two-step bioluminescen...


Bioorg Med Chem 19: 134-44 (2011)

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


(Homo sapiens (Human))
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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5n/an/an/an/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Inhibition of human MAOA


Bioorg Med Chem Lett 20: 537-40 (2010)

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


(Homo sapiens (Human))
BDBM50333414
PNG
(7-(Allyloxy)-1-methyl-beta-carboline | CHEMBL16455...)
Show SMILES Cc1nccc2c3ccc(OCC=C)cc3[nH]c12
Show InChI InChI=1S/C15H14N2O/c1-3-8-18-11-4-5-12-13-6-7-16-10(2)15(13)17-14(12)9-11/h3-7,9,17H,1,8H2,2H3
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5n/an/an/an/an/an/an/an/a



Facult£s Universitaires Notre-Dame de la Paix

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus-infected Bacillus thuringiensis israelensis cells after 1 hr by two-step bioluminescen...


Bioorg Med Chem 19: 134-44 (2011)

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)

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


(Homo sapiens (Human))
BDBM15613
PNG
(4-chloro-N-(2-morpholin-4-ylethyl)benzamide | 4-ch...)
Show SMILES Clc1ccc(cc1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C13H17ClN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)
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5n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human MAO-A expressed in BTI insect cells using p-tyramine as substrate after 60 mins


Bioorg Med Chem Lett 21: 4296-300 (2011)

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)

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


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


(Homo sapiens (Human))
BDBM50292171
PNG
(1-[3-(4-Hydroxy-phenyl)-5-(2-methoxy-phenyl)-4,5-d...)
Show SMILES COc1ccccc1C1CC(=NN1C(C)=O)c1ccc(O)cc1
Show InChI InChI=1S/C18H18N2O3/c1-12(21)20-17(15-5-3-4-6-18(15)23-2)11-16(19-20)13-7-9-14(22)10-8-13/h3-10,17,22H,11H2,1-2H3
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6n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Binding affinity was evaluated against human monoamino oxidase A


J Med Chem 47: 2071-4 (2004)

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


(Homo sapiens (Human))
BDBM50292163
PNG
(1-[3-(2,4-Dihydroxy-phenyl)-5-(2-methoxy-phenyl)-4...)
Show SMILES COc1ccccc1C1CC(=NN1C(C)=O)c1ccc(O)cc1O
Show InChI InChI=1S/C18H18N2O4/c1-11(21)20-16(14-5-3-4-6-18(14)24-2)10-15(19-20)13-8-7-12(22)9-17(13)23/h3-9,16,22-23H,10H2,1-2H3
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7n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Binding affinity was evaluated against human monoamino oxidase A


J Med Chem 47: 2071-4 (2004)

More data for this
Ligand-Target Pair
Monoamine oxidase


(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)

More data for this
Ligand-Target Pair
Monoamine oxidase


(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)

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


(Homo sapiens (Human))
BDBM50292163
PNG
(1-[3-(2,4-Dihydroxy-phenyl)-5-(2-methoxy-phenyl)-4...)
Show SMILES COc1ccccc1C1CC(=NN1C(C)=O)c1ccc(O)cc1O
Show InChI InChI=1S/C18H18N2O4/c1-11(21)20-16(14-5-3-4-6-18(14)24-2)10-15(19-20)13-8-7-12(22)9-17(13)23/h3-9,16,22-23H,10H2,1-2H3
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8n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Binding affinity was evaluated against human monoamino oxidase A


J Med Chem 47: 2071-4 (2004)

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


(Homo sapiens (Human))
BDBM50292171
PNG
(1-[3-(4-Hydroxy-phenyl)-5-(2-methoxy-phenyl)-4,5-d...)
Show SMILES COc1ccccc1C1CC(=NN1C(C)=O)c1ccc(O)cc1
Show InChI InChI=1S/C18H18N2O3/c1-12(21)20-17(15-5-3-4-6-18(15)23-2)11-16(19-20)13-7-9-14(22)10-8-13/h3-10,17,22H,11H2,1-2H3
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9n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Binding affinity was evaluated against human monoamino oxidase A


J Med Chem 47: 2071-4 (2004)

More data for this
Ligand-Target Pair
Monoamine oxidase


(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)

More data for this
Ligand-Target Pair
Monoamine oxidase


(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)

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


(Homo sapiens (Human))
BDBM50048615
PNG
(CHEMBL3310028)
Show SMILES Cc1nnsc1C(=O)N\N=C(\C=C\c1ccc(C)cc1)/c1ccc(O)cc1
Show InChI InChI=1S/C20H18N4O2S/c1-13-3-5-15(6-4-13)7-12-18(16-8-10-17(25)11-9-16)22-23-20(26)19-14(2)21-24-27-19/h3-12,25H,1-2H3,(H,23,26)/b12-7+,22-18-
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10n/an/an/an/an/an/an/an/a



Ministry of Health of Turkey

Curated by ChEMBL


Assay Description
Inhibition of human MAOA expressed in baculovirus-infected BTI insect cells assessed as H2O2 production by resorufin dye based fluorimetric method


Bioorg Med Chem Lett 24: 3278-84 (2014)

More data for this
Ligand-Target Pair
Monoamine oxidase


(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


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


(Homo sapiens (Human))
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 human


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


(Homo sapiens (Human))
BDBM15613
PNG
(4-chloro-N-(2-morpholin-4-ylethyl)benzamide | 4-ch...)
Show SMILES Clc1ccc(cc1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C13H17ClN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)
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10n/an/an/an/an/an/an/an/a



Grace College of Pharmacy



Assay Description
Study medium contained 0.1 mL of sodium phosphate buffer (0.05 M, pH 7.4), various concentrations of the newly synthesized compounds or reference com...


Bioorg Chem 62: 22-29 (2015)

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


(Homo sapiens (Human))
BDBM50048606
PNG
(CHEMBL3310025)
Show SMILES Cc1nnsc1C(=O)N\N=C(\C=C\c1cccc(C)c1)/c1ccc(Cl)cc1
Show InChI InChI=1S/C20H17ClN4OS/c1-13-4-3-5-15(12-13)6-11-18(16-7-9-17(21)10-8-16)23-24-20(26)19-14(2)22-25-27-19/h3-12H,1-2H3,(H,24,26)/b11-6+,23-18-
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10n/an/an/an/an/an/an/an/a



Ministry of Health of Turkey

Curated by ChEMBL


Assay Description
Inhibition of human MAOA expressed in baculovirus-infected BTI insect cells assessed as H2O2 production by resorufin dye based fluorimetric method


Bioorg Med Chem Lett 24: 3278-84 (2014)

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


(Homo sapiens (Human))
BDBM50048613
PNG
(CHEMBL3310026)
Show SMILES COc1ccc(\C=C\C(=N\NC(=O)c2snnc2C)\c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C20H17ClN4O2S/c1-13-19(28-25-22-13)20(26)24-23-18(15-6-8-16(21)9-7-15)12-5-14-3-10-17(27-2)11-4-14/h3-12H,1-2H3,(H,24,26)/b12-5+,23-18-
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12n/an/an/an/an/an/an/an/a



Ministry of Health of Turkey

Curated by ChEMBL


Assay Description
Inhibition of human MAOA expressed in baculovirus-infected BTI insect cells assessed as H2O2 production by resorufin dye based fluorimetric method


Bioorg Med Chem Lett 24: 3278-84 (2014)

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


(Homo sapiens (Human))
BDBM50048603
PNG
(CHEMBL3310024)
Show SMILES Cc1nnsc1C(=O)N\N=C(\C=C\c1ccc(C)cc1)/c1ccc(Cl)cc1
Show InChI InChI=1S/C20H17ClN4OS/c1-13-3-5-15(6-4-13)7-12-18(16-8-10-17(21)11-9-16)23-24-20(26)19-14(2)22-25-27-19/h3-12H,1-2H3,(H,24,26)/b12-7+,23-18-
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12n/an/an/an/an/an/an/an/a



Ministry of Health of Turkey

Curated by ChEMBL


Assay Description
Inhibition of human MAOA expressed in baculovirus-infected BTI insect cells assessed as H2O2 production by resorufin dye based fluorimetric method


Bioorg Med Chem Lett 24: 3278-84 (2014)

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


(Homo sapiens (Human))
BDBM50048550
PNG
(CHEMBL3310005)
Show SMILES Cc1ccc(cc1)[C@H]1CC(=NN1C(=O)c1ccccc1)c1cc(Cl)ccc1O
Show InChI InChI=1/C23H19ClN2O2/c1-15-7-9-16(10-8-15)21-14-20(19-13-18(24)11-12-22(19)27)25-26(21)23(28)17-5-3-2-4-6-17/h2-13,21,27H,14H2,1H3/t21-/s2
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12n/an/an/an/an/an/an/an/a



Ministry of Health of Turkey

Curated by ChEMBL


Assay Description
Inhibition of human MAOA expressed in baculovirus-infected BTI insect cells assessed as H2O2 production by resorufin dye based fluorimetric method


Bioorg Med Chem Lett 24: 3278-84 (2014)

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


(Homo sapiens (Human))
BDBM50333420
PNG
(7-(Benzyloxy)-1-methyl-beta-carboline | CHEMBL1645...)
Show SMILES Cc1nccc2c3ccc(OCc4ccccc4)cc3[nH]c12
Show InChI InChI=1S/C19H16N2O/c1-13-19-17(9-10-20-13)16-8-7-15(11-18(16)21-19)22-12-14-5-3-2-4-6-14/h2-11,21H,12H2,1H3
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13n/an/an/an/an/an/an/an/a



Facult£s Universitaires Notre-Dame de la Paix

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus-infected Bacillus thuringiensis israelensis cells after 1 hr by two-step bioluminescen...


Bioorg Med Chem 19: 134-44 (2011)

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


(Homo sapiens (Human))
BDBM15613
PNG
(4-chloro-N-(2-morpholin-4-ylethyl)benzamide | 4-ch...)
Show SMILES Clc1ccc(cc1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C13H17ClN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)
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14n/an/an/an/an/an/an/an/a



Ministry of Health of Turkey

Curated by ChEMBL


Assay Description
Inhibition of human MAOA expressed in baculovirus-infected BTI insect cells assessed as H2O2 production by resorufin dye based fluorimetric method


Bioorg Med Chem Lett 24: 3278-84 (2014)

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


(Homo sapiens (Human))
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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17n/an/an/an/an/an/an/an/a



Facult£s Universitaires Notre-Dame de la Paix

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus-infected Bacillus thuringiensis israelensis cells after 1 hr by two-step bioluminescen...


Bioorg Med Chem 19: 134-44 (2011)

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


(Homo sapiens (Human))
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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17n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of MAO-A


J Med Chem 54: 5320-34 (2011)

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


(Homo sapiens (Human))
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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17.1n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


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


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

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


(Homo sapiens (Human))
BDBM50063522
PNG
(CHEMBL3398531)
Show SMILES Cc1ccc(cc1)-c1[nH]c2cc(C#N)c(cc2c1Cl)C#N
Show InChI InChI=1S/C17H10ClN3/c1-10-2-4-11(5-3-10)17-16(18)14-6-12(8-19)13(9-20)7-15(14)21-17/h2-7,21H,1H3
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18n/an/an/an/an/an/an/an/a



Yaroslavl State Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A assessed as kynuramine substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 25: 1206-11 (2015)

More data for this
Ligand-Target Pair
Monoamine oxidase


(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)

More data for this
Ligand-Target Pair
Monoamine oxidase


(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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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)

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


(Homo sapiens (Human))
BDBM50213678
PNG
((S)-2-amino-1-(4-butylthiophenyl)-propane | CHEMBL...)
Show SMILES CCCCSc1ccc(C[C@H](C)N)cc1
Show InChI InChI=1S/C13H21NS/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/t11-/m0/s1
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22n/an/an/an/an/an/an/an/a



University of Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA expressed in Pichia pastoris


Bioorg Med Chem 15: 5198-206 (2007)

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


(Homo sapiens (Human))
BDBM50306698
PNG
(8-(3-Bromobenzyloxy)caffeine | CHEMBL602464)
Show SMILES Cn1c(OCc2cccc(Br)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C15H15BrN4O3/c1-18-11-12(19(2)15(22)20(3)13(11)21)17-14(18)23-8-9-5-4-6-10(16)7-9/h4-7H,8H2,1-3H3
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23n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA assessed as 4-hydroxyquinoline formation by fluorometry


Bioorg Med Chem 18: 1018-28 (2010)

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


(Homo sapiens (Human))
BDBM50333423
PNG
(7-(Pyridin-3-ylmethoxy)-1-methyl-beta-carboline | ...)
Show SMILES Cc1nccc2c3ccc(OCc4cccnc4)cc3[nH]c12
Show InChI InChI=1S/C18H15N3O/c1-12-18-16(6-8-20-12)15-5-4-14(9-17(15)21-18)22-11-13-3-2-7-19-10-13/h2-10,21H,11H2,1H3
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25n/an/an/an/an/an/an/an/a



Facult£s Universitaires Notre-Dame de la Paix

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus-infected Bacillus thuringiensis israelensis cells after 1 hr by two-step bioluminescen...


Bioorg Med Chem 19: 134-44 (2011)

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


(Homo sapiens (Human))
BDBM50017491
PNG
(CHEMBL3288301)
Show SMILES O=C1CCCc2cc(OCc3cccc(c3)C#N)ccc12
Show InChI InChI=1S/C18H15NO2/c19-11-13-3-1-4-14(9-13)12-21-16-7-8-17-15(10-16)5-2-6-18(17)20/h1,3-4,7-10H,2,5-6,12H2
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25n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant human MAO-A using kynuramine as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 24: 2758-63 (2014)

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


(Homo sapiens (Human))
BDBM50333417
PNG
(2-(1-Methyl-9H-beta-carbolin-7-yloxy)-ethanol | 7-...)
Show SMILES Cc1nccc2c3ccc(OCCO)cc3[nH]c12
Show InChI InChI=1S/C14H14N2O2/c1-9-14-12(4-5-15-9)11-3-2-10(18-7-6-17)8-13(11)16-14/h2-5,8,16-17H,6-7H2,1H3
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28n/an/an/an/an/an/an/an/a



Facult£s Universitaires Notre-Dame de la Paix

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus-infected Bacillus thuringiensis israelensis cells after 1 hr by two-step bioluminescen...


Bioorg Med Chem 19: 134-44 (2011)

More data for this
Ligand-Target Pair
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