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Compile Data Set for Download or QSAR

Found 2100 hits of affinity data for UniProtKB/TrEMBL: P21397   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Monoamine oxidase


(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


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


(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...


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


(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...


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


(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


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


(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...


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


(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...


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


(Homo sapiens (human))
BDBM100152
PNG
(7-methoxy-1-methyl-9H-$b-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


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


(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


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


(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...


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


(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


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


(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


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


(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


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


(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


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


(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...


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


(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


J Med Chem 34: 2931-3 (1991)

More data for this
Ligand-Target Pair
Monoamine oxidase


(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


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


(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


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


(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


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


(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


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


(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


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


(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...


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


(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


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


(Homo sapiens (human))
BDBM100152
PNG
(7-methoxy-1-methyl-9H-$b-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...


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


(Homo sapiens (human))
BDBM100152
PNG
(7-methoxy-1-methyl-9H-$b-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


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


(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


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


(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


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


(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


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


(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


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


(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...


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


(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


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


(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...


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


(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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30n/an/an/an/an/an/an/an/a



Birla Institute of Technology



Assay Description
The activities of recombinant hMAO-A and hMAO-B were determined using p-tyramine as common substrate and calculated as 0.18 +/- 0.01 nmol/mg/min (n =...


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


(Homo sapiens (human))
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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30n/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


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


(Homo sapiens (human))
BDBM50333416
PNG
(7-(2-Methoxyethoxy)-1-methyl-beta-carboline | CHEM...)
Show SMILES COCCOc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C15H16N2O2/c1-10-15-13(5-6-16-10)12-4-3-11(9-14(12)17-15)19-8-7-18-2/h3-6,9,17H,7-8H2,1-2H3
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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...


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


(Homo sapiens (human))
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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32.2n/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


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


(Homo sapiens (human))
BDBM50048598
PNG
(CHEMBL3310023)
Show SMILES Cc1ccc(\C=C\C(=N/NC(=O)c2cccs2)\c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C21H17ClN2OS/c1-15-4-6-16(7-5-15)8-13-19(17-9-11-18(22)12-10-17)23-24-21(25)20-3-2-14-26-20/h2-14H,1H3,(H,24,25)/b13-8+,23-19+
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34n/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


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


(Homo sapiens (human))
BDBM50048614
PNG
(CHEMBL3310027)
Show SMILES COc1ccc(\C=C\C(=N/NC(=O)c2ccc(OC)cc2)\c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C24H21ClN2O3/c1-29-21-12-3-17(4-13-21)5-16-23(18-6-10-20(25)11-7-18)26-27-24(28)19-8-14-22(30-2)15-9-19/h3-16H,1-2H3,(H,27,28)/b16-5+,26-23+
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34n/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


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


(Homo sapiens (human))
BDBM50333424
PNG
(7-(Pyridin-4-ylmethoxy)-1-methyl-beta-carboline | ...)
Show SMILES Cc1nccc2c3ccc(OCc4ccncc4)cc3[nH]c12
Show InChI InChI=1S/C18H15N3O/c1-12-18-16(6-9-20-12)15-3-2-14(10-17(15)21-18)22-11-13-4-7-19-8-5-13/h2-10,21H,11H2,1H3
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35n/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...


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


(Homo sapiens (human))
BDBM50306697
PNG
(8-(3-Chlorobenzyloxy)caffeine | CHEMBL602260)
Show SMILES Cn1c(OCc2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C15H15ClN4O3/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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36n/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


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


(Homo sapiens (human))
BDBM50048555
PNG
(CHEMBL3310015)
Show SMILES Cc1ccc(cc1)[C@H]1CC(=NN1C(=O)c1ccccc1)c1cc(Br)ccc1O
Show InChI InChI=1/C23H19BrN2O2/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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40n/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


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


(Homo sapiens (human))
BDBM50048616
PNG
(CHEMBL3310029)
Show SMILES COc1ccc(cc1)\C(\C=C\c1ccc(C)cc1)=N/NC(=O)c1snnc1C
Show InChI InChI=1S/C21H20N4O2S/c1-14-4-6-16(7-5-14)8-13-19(17-9-11-18(27-3)12-10-17)23-24-21(26)20-15(2)22-25-28-20/h4-13H,1-3H3,(H,24,26)/b13-8+,23-19-
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41n/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


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


(Homo sapiens (human))
BDBM50048570
PNG
(CHEMBL3310021)
Show SMILES COc1ccc(\C=C\C(=N/NC(=O)c2ccc(OC)cc2)\c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C24H21BrN2O3/c1-29-21-12-3-17(4-13-21)5-16-23(18-6-10-20(25)11-7-18)26-27-24(28)19-8-14-22(30-2)15-9-19/h3-16H,1-2H3,(H,27,28)/b16-5+,26-23+
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45n/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


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


(Homo sapiens (human))
BDBM50306700
PNG
(8-[(3-Trifluoromethyl)benzyloxy]caffeine | CHEMBL6...)
Show SMILES Cn1c(OCc2cccc(c2)C(F)(F)F)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H15F3N4O3/c1-21-11-12(22(2)15(25)23(3)13(11)24)20-14(21)26-8-9-5-4-6-10(7-9)16(17,18)19/h4-7H,8H2,1-3H3
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51n/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


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


(Homo sapiens (human))
BDBM50350637
PNG
(CHEMBL1813523)
Show SMILES Brc1ccc(COc2ccc3C(=O)NC(=O)c3c2)cc1
Show InChI InChI=1S/C15H10BrNO3/c16-10-3-1-9(2-4-10)8-20-11-5-6-12-13(7-11)15(19)17-14(12)18/h1-7H,8H2,(H,17,18,19)
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58n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA expressed in insect cells using kynuramine substrate using Cheng and Prusoff equation by fluorescence spectrosco...


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


(Homo sapiens (human))
BDBM50259619
PNG
((E)-5-Styrylisatin | CHEMBL466872)
Show SMILES O=C1Nc2ccc(\C=C\c3ccccc3)cc2C1=O
Show InChI InChI=1S/C16H11NO2/c18-15-13-10-12(8-9-14(13)17-16(15)19)7-6-11-4-2-1-3-5-11/h1-10H,(H,17,18,19)/b7-6+
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61n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


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


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


(Homo sapiens (human))
BDBM50341157
PNG
(2-(3-(anthracen-9-yl)-4,5-dihydro-1H-pyrazol-5-yl)...)
Show SMILES Oc1ccccc1C1CC(N=N1)c1c2ccccc2cc2ccccc12
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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69.9n/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


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


(Homo sapiens (human))
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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75n/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


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


(Homo sapiens (human))
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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81.5n/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


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


(Homo sapiens (human))
BDBM50347294
PNG
(CHEMBL1796449)
Show SMILES COc1ccc(NC(=S)N2N=C(CC2c2ccc(O)cc2)c2ccccc2)cc1
Show InChI InChI=1S/C23H21N3O2S/c1-28-20-13-9-18(10-14-20)24-23(29)26-22(17-7-11-19(27)12-8-17)15-21(25-26)16-5-3-2-4-6-16/h2-14,22,27H,15H2,1H3,(H,24,29)
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90n/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


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


(Homo sapiens (human))
BDBM50048596
PNG
(CHEMBL3310022)
Show SMILES COc1ccc(\C=C\C(=N/NC(=O)c2ccco2)\c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C21H17BrN2O3/c1-26-18-11-4-15(5-12-18)6-13-19(16-7-9-17(22)10-8-16)23-24-21(25)20-3-2-14-27-20/h2-14H,1H3,(H,24,25)/b13-6+,23-19+
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91n/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


Citation and Details
More data for this
Ligand-Target Pair
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