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Compile Data Set for Download or QSAR

Found 849 hits of ki data for polymerid = 384   
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
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50232429
PNG
(CHEMBL4104691)
Show SMILES COCCn1ncc2cc(ccc12)C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H15Cl2N3O2/c1-24-7-6-22-16-5-2-11(8-12(16)10-20-22)17(23)21-13-3-4-14(18)15(19)9-13/h2-5,8-10H,6-7H2,1H3,(H,21,23)
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0.480n/an/an/an/an/an/an/an/a



NTZ Lab Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI-TN-5B1-4 insect cells assessed as decrease in H2O2 production using p-tyr...


Eur J Med Chem 179: 404-422 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.041
BindingDB Entry DOI: 10.7270/Q2VT1WFM
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50557363
PNG
(CHEMBL4757953)
Show SMILES COc1ccc(cc1)\C(\C=C\c1ccccc1Cl)=N\NC(=O)Cn1c2ccccc2oc1=O
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1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using p-tyramine as substrate incubated for 30 mins by Ample...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01504
BindingDB Entry DOI: 10.7270/Q2G44V06
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50557361
PNG
(CHEMBL4761363)
Show SMILES COc1cccc(\C=C\C(=N/NC(=O)Cn2c3ccccc3oc2=O)\c2ccccc2)c1
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1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using p-tyramine as substrate incubated for 30 mins by Ample...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01504
BindingDB Entry DOI: 10.7270/Q2G44V06
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50557360
PNG
(CHEMBL4787516)
Show SMILES O=C(Cn1c2ccccc2oc1=O)N\N=C(/C=C/c1ccccc1)\c1ccccc1
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1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using p-tyramine as substrate incubated for 30 mins by Ample...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01504
BindingDB Entry DOI: 10.7270/Q2G44V06
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50557366
PNG
(CHEMBL4787184)
Show SMILES COc1ccccc1\C=C\C(=N/NC(=O)Cn1c2cc(Cl)ccc2oc1=O)\c1ccccc1
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1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using p-tyramine as substrate incubated for 30 mins by Ample...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01504
BindingDB Entry DOI: 10.7270/Q2G44V06
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50557339
PNG
(CHEMBL4748517)
Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccccc1Cl)C(=O)Cn1c2ccccc2oc1=O |t:9|
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1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using p-tyramine as substrate incubated for 30 mins by Ample...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01504
BindingDB Entry DOI: 10.7270/Q2G44V06
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50557368
PNG
(CHEMBL4762228)
Show SMILES COc1ccccc1\C(\C=C\c1ccccc1Cl)=N\NC(=O)Cn1c2cc(Cl)ccc2oc1=O
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1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using p-tyramine as substrate incubated for 30 mins by Ample...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01504
BindingDB Entry DOI: 10.7270/Q2G44V06
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] 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 |c:11|
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)


Article DOI: 10.1021/jm031042b
BindingDB Entry DOI: 10.7270/Q28053BQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] 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 |c:11|
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)


Article DOI: 10.1021/jm031042b
BindingDB Entry DOI: 10.7270/Q28053BQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] 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)


Article DOI: 10.1016/j.bmc.2010.11.041
BindingDB Entry DOI: 10.7270/Q2NK3F9X
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] 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)


Article DOI: 10.1016/j.bmc.2010.11.041
BindingDB Entry DOI: 10.7270/Q2NK3F9X
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50557355
PNG
(CHEMBL4788778)
Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccccc1)C(=O)Cn1c2cc(Cl)ccc2oc1=O |t:9|
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4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using p-tyramine as substrate incubated for 30 mins by Ample...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01504
BindingDB Entry DOI: 10.7270/Q2G44V06
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] 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 |c:11|
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)


Article DOI: 10.1021/jm031042b
BindingDB Entry DOI: 10.7270/Q28053BQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50557330
PNG
(CHEMBL4794193)
Show SMILES Cc1ccc(cc1)C1CC(=NN1C(=O)Cn1c2ccccc2oc1=O)c1ccccc1 |c:10|
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4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using p-tyramine as substrate incubated for 30 mins by Ample...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01504
BindingDB Entry DOI: 10.7270/Q2G44V06
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50493741
PNG
(CHEMBL2437020)
Show SMILES Cc1ccc(cc1)C1CC(=NN1C(=O)Oc1ccccc1)c1ccccc1O |c:10|
Show InChI InChI=1S/C23H20N2O3/c1-16-11-13-17(14-12-16)21-15-20(19-9-5-6-10-22(19)26)24-25(21)23(27)28-18-7-3-2-4-8-18/h2-14,21,26H,15H2,1H3
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4n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant MAO-A expressed in baculovirus infected BT1 insect cells using p-tyramine as substrate by Lineweaver-Burk...


Eur J Med Chem 69: 762-7 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.010
BindingDB Entry DOI: 10.7270/Q2RB77JM
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50557362
PNG
(CHEMBL4764828)
Show SMILES COc1ccccc1\C(\C=C\c1ccccc1Cl)=N\NC(=O)Cn1c2ccccc2oc1=O
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4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using p-tyramine as substrate incubated for 30 mins by Ample...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01504
BindingDB Entry DOI: 10.7270/Q2G44V06
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] 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 |c:11|
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)


Article DOI: 10.1021/jm031042b
BindingDB Entry DOI: 10.7270/Q28053BQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] 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)


Article DOI: 10.1016/j.bmc.2010.11.041
BindingDB Entry DOI: 10.7270/Q2NK3F9X
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50289513
PNG
(CHEMBL4169527)
Show SMILES Fc1ccc(-c2csc(N\N=C\c3ccc(cc3)N3CCOCC3)n2)c(F)c1
Show InChI InChI=1S/C20H18F2N4OS/c21-15-3-6-17(18(22)11-15)19-13-28-20(24-19)25-23-12-14-1-4-16(5-2-14)26-7-9-27-10-8-26/h1-6,11-13H,7-10H2,(H,24,25)/b23-12+
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4.40n/an/an/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Reversible-competitive inhibition of human MAO-A using varying levels of tyramine as substrate after 30 mins by Lineweaver-Burk plot


Eur J Med Chem 144: 68-81 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.013
BindingDB Entry DOI: 10.7270/Q2833VK7
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] 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
Competitive reversible inhibition of human recombinant MAO-A expressed in baculovirus infected BT1 insect cells using p-tyramine as substrate assesse...


Eur J Med Chem 69: 762-7 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.010
BindingDB Entry DOI: 10.7270/Q2RB77JM
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] 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)


Article DOI: 10.1016/j.bmcl.2009.11.106
BindingDB Entry DOI: 10.7270/Q2000264
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50557341
PNG
(CHEMBL4744188)
Show SMILES COc1cccc(c1)C1CC(=NN1C(=O)Cn1c2cc(C)ccc2oc1=O)c1ccccc1 |c:11|
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5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using p-tyramine as substrate incubated for 30 mins by Ample...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01504
BindingDB Entry DOI: 10.7270/Q2G44V06
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] 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)


Article DOI: 10.1016/j.bmc.2010.11.041
BindingDB Entry DOI: 10.7270/Q2NK3F9X
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50493741
PNG
(CHEMBL2437020)
Show SMILES Cc1ccc(cc1)C1CC(=NN1C(=O)Oc1ccccc1)c1ccccc1O |c:10|
Show InChI InChI=1S/C23H20N2O3/c1-16-11-13-17(14-12-16)21-15-20(19-9-5-6-10-22(19)26)24-25(21)23(27)28-18-7-3-2-4-8-18/h2-14,21,26H,15H2,1H3
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5n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Competitive reversible inhibition of human recombinant MAO-A expressed in baculovirus infected BT1 insect cells using p-tyramine as substrate assesse...


Eur J Med Chem 69: 762-7 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.010
BindingDB Entry DOI: 10.7270/Q2RB77JM
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] 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)


Article DOI: 10.1016/j.bmcl.2011.05.057
BindingDB Entry DOI: 10.7270/Q2C829NS
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] 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)


Article DOI: 10.1016/j.bmc.2010.11.041
BindingDB Entry DOI: 10.7270/Q2NK3F9X
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] 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 |c:11|
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)


Article DOI: 10.1021/jm031042b
BindingDB Entry DOI: 10.7270/Q28053BQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50289515
PNG
(CHEMBL4172923)
Show SMILES Fc1ccc(cc1)-c1csc(N\N=C\c2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C20H19FN4OS/c21-17-5-3-16(4-6-17)19-14-27-20(23-19)24-22-13-15-1-7-18(8-2-15)25-9-11-26-12-10-25/h1-8,13-14H,9-12H2,(H,23,24)/b22-13+
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6.60n/an/an/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Reversible-competitive inhibition of human MAO-A using varying levels of tyramine as substrate after 30 mins by Lineweaver-Burk plot


Eur J Med Chem 144: 68-81 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.013
BindingDB Entry DOI: 10.7270/Q2833VK7
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] 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 |c:11|
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)


Article DOI: 10.1021/jm031042b
BindingDB Entry DOI: 10.7270/Q28053BQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50557340
PNG
(CHEMBL4778941)
Show SMILES Cc1ccc(cc1)C1CC(=NN1C(=O)Cn1c2cc(C)ccc2oc1=O)c1ccccc1 |c:10|
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8n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using p-tyramine as substrate incubated for 30 mins by Ample...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01504
BindingDB Entry DOI: 10.7270/Q2G44V06
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50557331
PNG
(CHEMBL4740141)
Show SMILES COc1cccc(c1)C1CC(=NN1C(=O)Cn1c2ccccc2oc1=O)c1ccccc1 |c:11|
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8n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using p-tyramine as substrate incubated for 30 mins by Ample...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01504
BindingDB Entry DOI: 10.7270/Q2G44V06
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50557332
PNG
(CHEMBL4783604)
Show SMILES COc1ccc(cc1OC)C1CC(=NN1C(=O)Cn1c2ccccc2oc1=O)c1ccccc1 |c:13|
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9n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using p-tyramine as substrate incubated for 30 mins by Ample...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01504
BindingDB Entry DOI: 10.7270/Q2G44V06
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50557346
PNG
(CHEMBL4763998)
Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1cccc(OC)c1OC)C(=O)Cn1c2cc(C)ccc2oc1=O |t:9|
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9n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using p-tyramine as substrate incubated for 30 mins by Ample...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01504
BindingDB Entry DOI: 10.7270/Q2G44V06
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] 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)


Article DOI: 10.1016/j.bmcl.2014.06.015
BindingDB Entry DOI: 10.7270/Q2VX0J5J
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50557367
PNG
(CHEMBL4753849)
Show SMILES COc1ccc(cc1)\C(\C=C\c1cccc(OC)c1OC)=N\NC(=O)Cn1c2cc(Cl)ccc2oc1=O
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10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using p-tyramine as substrate incubated for 30 mins by Ample...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01504
BindingDB Entry DOI: 10.7270/Q2G44V06
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] 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/a7.4n/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)


Article DOI: 10.1016/j.bioorg.2015.07.001
BindingDB Entry DOI: 10.7270/Q20K2795
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] 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


J Med Chem 34: 2931-3 (1991)


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


(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)


Article DOI: 10.1016/j.bmcl.2014.06.015
BindingDB Entry DOI: 10.7270/Q2VX0J5J
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50557348
PNG
(CHEMBL4741789)
Show SMILES COc1cccc(c1)C1=NN(C(C1)c1ccccc1Cl)C(=O)Cn1c2cc(C)ccc2oc1=O |t:9|
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11n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using p-tyramine as substrate incubated for 30 mins by Ample...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01504
BindingDB Entry DOI: 10.7270/Q2G44V06
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50557365
PNG
(CHEMBL4751649)
Show SMILES COc1ccccc1\C(\C=C\c1ccccc1Cl)=N\NC(=O)Cn1c2cc(C)ccc2oc1=O
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11n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using p-tyramine as substrate incubated for 30 mins by Ample...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01504
BindingDB Entry DOI: 10.7270/Q2G44V06
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50557335
PNG
(CHEMBL4740937)
Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccccc1)C(=O)Cn1c2ccccc2oc1=O |t:9|
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11n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using p-tyramine as substrate incubated for 30 mins by Ample...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01504
BindingDB Entry DOI: 10.7270/Q2G44V06
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50557364
PNG
(CHEMBL4781759)
Show SMILES COc1ccc(cc1)\C(\C=C\c1ccccc1)=N\NC(=O)Cn1c2cc(C)ccc2oc1=O
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12n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using p-tyramine as substrate incubated for 30 mins by Ample...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01504
BindingDB Entry DOI: 10.7270/Q2G44V06
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] 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)


Article DOI: 10.1016/j.bmcl.2014.06.015
BindingDB Entry DOI: 10.7270/Q2VX0J5J
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50048550
PNG
(CHEMBL3310005)
Show SMILES Cc1ccc(cc1)[C@H]1CC(=NN1C(=O)c1ccccc1)c1cc(Cl)ccc1O |r,c:10|
Show InChI InChI=1S/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-/m1/s1
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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)


Article DOI: 10.1016/j.bmcl.2014.06.015
BindingDB Entry DOI: 10.7270/Q2VX0J5J
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM15581
PNG
(CHEMBL8706 | CLG | CLORGILINE | Clorgyline | N-[3-...)
Show SMILES CN(CCCOc1ccc(Cl)cc1Cl)CC#C
Show InChI InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3
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12n/an/an/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Irreversible inhibition of recombinant human MAO-A expressed in baculovirus infected BT1 cells using p-tyramine as substrate by Lineweaver-Burk plot ...


Eur J Med Chem 70: 88-101 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.005
BindingDB Entry DOI: 10.7270/Q2T156MV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Amine oxidase [flavin-containing] 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)


Article DOI: 10.1016/j.bmcl.2014.06.015
BindingDB Entry DOI: 10.7270/Q2VX0J5J
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] 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)


Article DOI: 10.1016/j.bmc.2010.11.041
BindingDB Entry DOI: 10.7270/Q2NK3F9X
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50557337
PNG
(CHEMBL4778703)
Show SMILES COc1ccccc1C1=NN(C(C1)c1ccccc1Cl)C(=O)Cn1c2ccccc2oc1=O |t:9|
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13n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using p-tyramine as substrate incubated for 30 mins by Ample...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01504
BindingDB Entry DOI: 10.7270/Q2G44V06
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] 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)


Article DOI: 10.1016/j.bmcl.2014.06.015
BindingDB Entry DOI: 10.7270/Q2VX0J5J
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] 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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Article
PubMed
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)


Article DOI: 10.1021/jm2006782
BindingDB Entry DOI: 10.7270/Q2RF5W11
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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