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Compile Data Set for Download or QSAR

Found 3955 hits of ic50 for UniProtKB: P21397   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Amine oxidase (flavin-containing) A


(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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n/an/a 0.00490n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of human monoamine oxidase A


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM50172756
PNG
(Benzyl-methyl-prop-2-ynyl-amine | CHEMBL673 | Euto...)
Show SMILES CN(CC#C)Cc1ccccc1
Show InChI InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3
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n/an/a 0.0115n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A (unknown origin)


Eur J Med Chem 138: 715-728 (2017)

More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM50188722
PNG
(3-(3-trifluoromethyl)phenyl-8-methoxy-5H-indeno[1,...)
Show SMILES COc1ccc2C(=O)c3cc(nnc3-c2c1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C19H11F3N2O2/c1-26-12-5-6-13-14(8-12)17-15(18(13)25)9-16(23-24-17)10-3-2-4-11(7-10)19(20,21)22/h2-9H,1H3
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n/an/a 0.100n/an/an/an/an/an/a



Facultés Universitaires N.D. de la Paix

Curated by ChEMBL


Assay Description
Inhibition of MAO-B in baboon liver mitochondria


J Med Chem 49: 3743-7 (2006)


Article DOI: 10.1021/jm051091j
BindingDB Entry DOI: 10.7270/Q2SF2VSN
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM50046866
PNG
(CHEMBL3319256)
Show SMILES Cn1ncc2cc(ccc12)C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H11Cl2N3O/c1-20-14-5-2-9(6-10(14)8-18-20)15(21)19-11-3-4-12(16)13(17)7-11/h2-8H,1H3,(H,19,21)
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n/an/a 0.389n/an/an/an/an/an/a



NTZ Lab Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOA expressed in baculovirus-infected BTI insect cells using p-tyramine as substrate measured for 45 mins in presenc...


Eur J Med Chem 127: 470-492 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.011
BindingDB Entry DOI: 10.7270/Q2GH9M6P
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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US Patent
n/an/a 0.5n/an/an/an/an/an/a



R-Tech Ueno, Ltd.

US Patent


Assay Description
The compounds of the present invention obtained in the Production Examples were examined for the inhibitory effect on human monoamineoxydase enzymes ...


US Patent US9603833 (2017)


Article DOI: 10.1021/jm950576c
BindingDB Entry DOI: 10.7270/Q2W37ZCW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM50232425
PNG
(CHEMBL4061639)
Show SMILES Cn1ncc2cc(ccc12)C(=O)Nc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C15H11ClFN3O/c1-20-14-5-2-9(6-10(14)8-18-20)15(21)19-11-3-4-13(17)12(16)7-11/h2-8H,1H3,(H,19,21)
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n/an/a 0.661n/an/an/an/an/an/a



NTZ Lab Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOA expressed in baculovirus-infected BTI insect cells using p-tyramine as substrate measured for 45 mins in presenc...


Eur J Med Chem 127: 470-492 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.011
BindingDB Entry DOI: 10.7270/Q2GH9M6P
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM50075952
PNG
(CHEMBL3415804)
Show SMILES C[NH+](CC#C)CC(=C)c1ccoc1
Show InChI InChI=1S/C11H13NO/c1-4-6-12(3)8-10(2)11-5-7-13-9-11/h1,5,7,9H,2,6,8H2,3H3/p+1
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n/an/a 0.720n/an/an/an/an/an/a



A* STAR

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in Sf9 cells using 5-hydroxytryptamine substrate assessed as hydrogen peroxide production after 1 hr ...


J Med Chem 58: 1400-19 (2015)


Article DOI: 10.1021/jm501722s
BindingDB Entry DOI: 10.7270/Q2V989R3
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM50358012
PNG
(CHEMBL1651055)
Show SMILES COc1cc2C(=O)c3ccccc3-c3nccc(c1)c23
Show InChI InChI=1S/C17H11NO2/c1-20-11-8-10-6-7-18-16-12-4-2-3-5-13(12)17(19)14(9-11)15(10)16/h2-9H,1H3
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n/an/a 0.830n/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA expressed in baculovirus infected BTI-TN-5B1-4 insect cells assessed as hydrogen peroxide production from p-tyra...


Eur J Med Chem 46: 5838-51 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.045
BindingDB Entry DOI: 10.7270/Q2VD6ZVK
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM50075959
PNG
(CHEMBL3415795)
Show SMILES CN(CC#C)CC(=C)c1ccc(Br)cc1
Show InChI InChI=1S/C13H14BrN/c1-4-9-15(3)10-11(2)12-5-7-13(14)8-6-12/h1,5-8H,2,9-10H2,3H3
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n/an/a 0.850n/an/an/an/an/an/a



A* STAR

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in Sf9 cells using 5-hydroxytryptamine substrate assessed as hydrogen peroxide production after 1 hr ...


J Med Chem 58: 1400-19 (2015)


Article DOI: 10.1021/jm501722s
BindingDB Entry DOI: 10.7270/Q2V989R3
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM218829
PNG
(1,4-Bis(2-pentanoylimino-5-(2-methoxy-2-oxoethylid...)
Show SMILES CCCCC(=O)\N=C1/S\C(=C/C(=O)OC)C(=O)N1c1ccc(cc1)N1\C(S\C(=C/C(=O)OC)C1=O)=N\C(=O)CCCC
Show InChI InChI=1S/C28H30N4O8S2/c1-5-7-9-21(33)29-27-31(25(37)19(41-27)15-23(35)39-3)17-11-13-18(14-12-17)32-26(38)20(16-24(36)40-4)42-28(32)30-22(34)10-8-6-2/h11-16H,5-10H2,1-4H3/b19-15-,20-16-,29-27-,30-28-
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n/an/a 1n/an/an/an/a7.4n/a



Quaid-i-Azam University



Assay Description
The assay was performed in a polystyrene 96-well plate having flat bottom containing 200 μL of the total reaction mixture. For each assay, mixtu...


Bioorg Chem 70: 17-26 (2017)


Article DOI: 10.1016/j.bioorg.2016.11.004
BindingDB Entry DOI: 10.7270/Q2WM1C7Z
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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n/an/a 1n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A assessed as reduction in 4-hydroxyquinolone production using kynuramine as substrate after 20 mins by fluoresce...


Eur J Med Chem 125: 853-864 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM50075947
PNG
(CHEMBL3415817)
Show SMILES C[NH+](CC#C)CC(=C)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C13H13Cl2N/c1-4-7-16(3)9-10(2)11-5-6-12(14)13(15)8-11/h1,5-6,8H,2,7,9H2,3H3/p+1
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n/an/a 1n/an/an/an/an/an/a



A* STAR

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in Sf9 cells using 5-hydroxytryptamine substrate assessed as hydrogen peroxide production after 1 hr ...


J Med Chem 58: 1400-19 (2015)


Article DOI: 10.1021/jm501722s
BindingDB Entry DOI: 10.7270/Q2V989R3
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM50046865
PNG
(CHEMBL3319257)
Show SMILES Cn1cc2cc(ccc2n1)C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H11Cl2N3O/c1-20-8-10-6-9(2-5-14(10)19-20)15(21)18-11-3-4-12(16)13(17)7-11/h2-8H,1H3,(H,18,21)
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n/an/a 1.40n/an/an/an/an/an/a



NTZ Lab Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOA expressed in baculovirus-infected BTI insect cells using p-tyramine as substrate measured for 45 mins in presenc...


Eur J Med Chem 127: 470-492 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.011
BindingDB Entry DOI: 10.7270/Q2GH9M6P
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM50075974
PNG
(CHEMBL3415783)
Show SMILES C[NH+](CC#C)CC(=C)c1cccc(COc2ccc(F)cc2)c1
Show InChI InChI=1S/C20H20FNO/c1-4-12-22(3)14-16(2)18-7-5-6-17(13-18)15-23-20-10-8-19(21)9-11-20/h1,5-11,13H,2,12,14-15H2,3H3/p+1
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n/an/a 1.40n/an/an/an/an/an/a



A* STAR

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in Sf9 cells using 5-hydroxytryptamine substrate assessed as hydrogen peroxide production after 1 hr ...


J Med Chem 58: 1400-19 (2015)


Article DOI: 10.1021/jm501722s
BindingDB Entry DOI: 10.7270/Q2V989R3
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM50075996
PNG
(CHEMBL3415611)
Show SMILES Fc1cccc(COc2cccc(c2)C(=C)C[NH2+]CC#C)c1
Show InChI InChI=1S/C19H18FNO/c1-3-10-21-13-15(2)17-7-5-9-19(12-17)22-14-16-6-4-8-18(20)11-16/h1,4-9,11-12,21H,2,10,13-14H2/p+1
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n/an/a 1.90n/an/an/an/an/an/a



A* STAR

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in Sf9 cells using 5-hydroxytryptamine substrate assessed as hydrogen peroxide production after 1 hr ...


J Med Chem 58: 1400-19 (2015)


Article DOI: 10.1021/jm501722s
BindingDB Entry DOI: 10.7270/Q2V989R3
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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n/an/a 2n/an/an/an/an/an/a



The University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI-TN-5B1-4 insect cells using tyramine as substrate preincubated for 1 hr f...


J Med Chem 61: 7043-7064 (2018)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM50075946
PNG
(CHEMBL3415816)
Show SMILES C[NH+](CC#C)CC(=C)c1ccc(F)c(F)c1
Show InChI InChI=1S/C13H13F2N/c1-4-7-16(3)9-10(2)11-5-6-12(14)13(15)8-11/h1,5-6,8H,2,7,9H2,3H3/p+1
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n/an/a 2.30n/an/an/an/an/an/a



A* STAR

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in Sf9 cells using 5-hydroxytryptamine substrate assessed as hydrogen peroxide production after 1 hr ...


J Med Chem 58: 1400-19 (2015)


Article DOI: 10.1021/jm501722s
BindingDB Entry DOI: 10.7270/Q2V989R3
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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n/an/a 2.60n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA expressed in insect cell microsomes using kynuramine as substrate after 20 mins by fluorescence spectrophotometr...


Bioorg Med Chem Lett 22: 7367-70 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.070
BindingDB Entry DOI: 10.7270/Q2CN7526
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM50378844
PNG
(CHEMBL1258839)
Show SMILES O=C(c1ccccc1)c1nc2ccccc2n2c(nnc12)-c1ccccc1
Show InChI InChI=1S/C22H14N4O/c27-20(15-9-3-1-4-10-15)19-22-25-24-21(16-11-5-2-6-12-16)26(22)18-14-8-7-13-17(18)23-19/h1-14H
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n/an/a 2.70n/an/an/an/an/an/a



Alexandria University

Curated by ChEMBL


Assay Description
Inhibition of MAOA by spectrophotometry


Eur J Med Chem 45: 4479-89 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.008
BindingDB Entry DOI: 10.7270/Q21G0N86
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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n/an/a 2.70n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A using kynuramine as substrate after 30 mins by fluorescence assay


Bioorg Med Chem 26: 1885-1895 (2018)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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n/an/a 2.70n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using kynuramine as substrate after 30 mins by fluorescence ...


Bioorg Med Chem 26: 1102-1115 (2018)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM50378846
PNG
(CHEMBL1258610)
Show SMILES CN(C)c1ccc(cc1)-c1nnc2c(nc3ccccc3n12)C(=O)c1ccccc1
Show InChI InChI=1S/C24H19N5O/c1-28(2)18-14-12-17(13-15-18)23-26-27-24-21(22(30)16-8-4-3-5-9-16)25-19-10-6-7-11-20(19)29(23)24/h3-15H,1-2H3
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n/an/a 2.70n/an/an/an/an/an/a



Alexandria University

Curated by ChEMBL


Assay Description
Inhibition of MAOA by spectrophotometry


Eur J Med Chem 45: 4479-89 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.008
BindingDB Entry DOI: 10.7270/Q21G0N86
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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n/an/a 2.70n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using kynuramine as substrate measured after 30 mins by fluorescence assay


Bioorg Med Chem 25: 714-726 (2017)


Article DOI: 10.1016/j.bmc.2016.11.048
BindingDB Entry DOI: 10.7270/Q21C1ZVW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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n/an/a 2.70n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected High 5 insect cells using kynuramine as substrate incubated for 30 mins by sp...


Bioorg Med Chem 25: 1030-1041 (2017)


Article DOI: 10.1016/j.bmc.2016.12.013
BindingDB Entry DOI: 10.7270/Q2PR7XZS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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n/an/a 2.70n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using kynuramine as substrate after 30 mins by fluorimetric ...


Bioorg Med Chem 25: 1997-2009 (2017)


Article DOI: 10.1016/j.bmc.2017.02.027
BindingDB Entry DOI: 10.7270/Q2Q81GBJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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n/an/a 2.70n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


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


Eur J Med Chem 126: 762-775 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.009
BindingDB Entry DOI: 10.7270/Q2NG4SW1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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n/an/a 2.70n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using kynuramine as substrate after 30 mins by fluorescence spectrophotometry


Bioorg Med Chem 24: 2342-51 (2016)


Article DOI: 10.1016/j.bmc.2016.04.012
BindingDB Entry DOI: 10.7270/Q21N8316
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM50378833
PNG
(CHEMBL1257814)
Show SMILES CC(N=Nc1nc2ccccc2nc1Cc1ccccc1)c1ccc(O)cc1
Show InChI InChI=1S/C23H20N4O/c1-16(18-11-13-19(28)14-12-18)26-27-23-22(15-17-7-3-2-4-8-17)24-20-9-5-6-10-21(20)25-23/h2-14,16,28H,15H2,1H3
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n/an/a 2.80n/an/an/an/an/an/a



Alexandria University

Curated by ChEMBL


Assay Description
Inhibition of MAOA by spectrophotometry


Eur J Med Chem 45: 4479-89 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.008
BindingDB Entry DOI: 10.7270/Q21G0N86
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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n/an/a 3n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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n/an/a 3.10n/an/an/an/an/an/a



Alexandria University

Curated by ChEMBL


Assay Description
Inhibition of MAOA by spectrophotometry


Eur J Med Chem 45: 4479-89 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.008
BindingDB Entry DOI: 10.7270/Q21G0N86
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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n/an/a 3.40n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of human recombinant microsomal MAO-A expressed in baculovirus-infected insect cells using p-tyramine as substrate preincubated for 15 min...


Bioorg Med Chem 25: 633-645 (2017)


Article DOI: 10.1016/j.bmc.2016.11.032
BindingDB Entry DOI: 10.7270/Q2HH6N2G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM50075953
PNG
(CHEMBL3415805)
Show SMILES CN(CC#C)CC(=C)c1cccs1
Show InChI InChI=1S/C11H13NS/c1-4-7-12(3)9-10(2)11-6-5-8-13-11/h1,5-6,8H,2,7,9H2,3H3
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n/an/a 3.40n/an/an/an/an/an/a



A* STAR

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in Sf9 cells using 5-hydroxytryptamine substrate assessed as hydrogen peroxide production after 1 hr ...


J Med Chem 58: 1400-19 (2015)


Article DOI: 10.1021/jm501722s
BindingDB Entry DOI: 10.7270/Q2V989R3
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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n/an/a 3.40n/an/an/an/an/an/a



Nanyang Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using kynuramine as substrate after 30 mins by fluorescence ...


Bioorg Med Chem 25: 3006-3017 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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n/an/a 3.40n/an/an/an/an/an/a



Nanyang Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A using kynuramine as substrate after 30 mins by fluorescence method


Bioorg Med Chem Lett 27: 5046-5052 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM50236898
PNG
((1S,2R)-(+)-2-phenylcyclopropylamine | CHEMBL25799...)
Show SMILES N[C@H]1C[C@@H]1c1ccccc1
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m1/s1
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n/an/a 3.40n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of MAO-A (unknown origin) using beetle luciferin derived luminogenic substrate preincubated for 15 mins followed by substrate addition mea...


Eur J Med Chem 144: 52-67 (2018)

More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM50378834
PNG
(CHEMBL1257932)
Show SMILES Oc1ccc(CN=Nc2nc3ccccc3nc2Cc2ccccc2)cc1
Show InChI InChI=1S/C22H18N4O/c27-18-12-10-17(11-13-18)15-23-26-22-21(14-16-6-2-1-3-7-16)24-19-8-4-5-9-20(19)25-22/h1-13,27H,14-15H2
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n/an/a 3.40n/an/an/an/an/an/a



Alexandria University

Curated by ChEMBL


Assay Description
Inhibition of MAOA by spectrophotometry


Eur J Med Chem 45: 4479-89 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.008
BindingDB Entry DOI: 10.7270/Q21G0N86
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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n/an/a 3.60n/an/an/an/an/an/a



Xinxiang Medical University

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha release was determined in LPS-stimulated human whole blood assay


Eur J Med Chem 140: 392-402 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM50075961
PNG
(CHEMBL3415798)
Show SMILES CN(CC#C)CC(=C)c1ccc(F)cc1
Show InChI InChI=1S/C13H14FN/c1-4-9-15(3)10-11(2)12-5-7-13(14)8-6-12/h1,5-8H,2,9-10H2,3H3
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n/an/a 3.70n/an/an/an/an/an/a



A* STAR

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in Sf9 cells using 5-hydroxytryptamine substrate assessed as hydrogen peroxide production after 1 hr ...


J Med Chem 58: 1400-19 (2015)


Article DOI: 10.1021/jm501722s
BindingDB Entry DOI: 10.7270/Q2V989R3
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM50246265
PNG
(7-Acetonyloxy-3,4-cyclohexene-8-methylcoumarin | C...)
Show SMILES CC(=O)COc1ccc2c3CCCCc3c(=O)oc2c1C
Show InChI InChI=1S/C17H18O4/c1-10(18)9-20-15-8-7-13-12-5-3-4-6-14(12)17(19)21-16(13)11(15)2/h7-8H,3-6,9H2,1-2H3
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n/an/a 3.78n/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA by fluorimetric method


J Med Chem 51: 6740-51 (2008)


Article DOI: 10.1021/jm800656v
BindingDB Entry DOI: 10.7270/Q2NV9J3H
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM50075958
PNG
(CHEMBL3415793)
Show SMILES C[NH+](CC#C)CC(=C)c1ccc(Cl)cc1
Show InChI InChI=1S/C13H14ClN/c1-4-9-15(3)10-11(2)12-5-7-13(14)8-6-12/h1,5-8H,2,9-10H2,3H3/p+1
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n/an/a 3.90n/an/an/an/an/an/a



A* STAR

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in Sf9 cells using 5-hydroxytryptamine substrate assessed as hydrogen peroxide production after 1 hr ...


J Med Chem 58: 1400-19 (2015)


Article DOI: 10.1021/jm501722s
BindingDB Entry DOI: 10.7270/Q2V989R3
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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n/an/a 4n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA expressed in BTI-TN-5B1-4 cells by para-tyramine oxidation assay


Bioorg Med Chem 18: 1273-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.029
BindingDB Entry DOI: 10.7270/Q2X63N2Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM50063523
PNG
(CHEMBL3398530)
Show SMILES COc1ccc(cc1)-c1[nH]c2cc(C#N)c(cc2c1Cl)C#N
Show InChI InChI=1S/C17H10ClN3O/c1-22-13-4-2-10(3-5-13)17-16(18)14-6-11(8-19)12(9-20)7-15(14)21-17/h2-7,21H,1H3
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n/an/a 4n/an/an/an/an/an/a



Yaroslavl State Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A assessed as kynuramine oxidation to 4-hydroxyquinoline formation by spectrofluorometric analysis


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


Article DOI: 10.1016/j.bmcl.2015.01.061
BindingDB Entry DOI: 10.7270/Q2M32XDJ
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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n/an/a 4n/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA expressed in baculovirus infected BTI-TN-5B1-4 insect cells assessed as hydrogen peroxide production from p-tyra...


Eur J Med Chem 46: 5838-51 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.045
BindingDB Entry DOI: 10.7270/Q2VD6ZVK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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n/an/a 4.10n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A using p-tyramine substrate preincubated for 15 mins before substrate addition measured after 20 mins by fluores...


Eur J Med Chem 62: 745-53 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.039
BindingDB Entry DOI: 10.7270/Q2C82BN6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM50075949
PNG
(CHEMBL3415819)
Show SMILES C[NH+](CC#C)CC(=C)c1ccc(Cl)c(C)c1
Show InChI InChI=1S/C14H16ClN/c1-5-8-16(4)10-12(3)13-6-7-14(15)11(2)9-13/h1,6-7,9H,3,8,10H2,2,4H3/p+1
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n/an/a 4.10n/an/an/an/an/an/a



A* STAR

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in Sf9 cells using 5-hydroxytryptamine substrate assessed as hydrogen peroxide production after 1 hr ...


J Med Chem 58: 1400-19 (2015)


Article DOI: 10.1021/jm501722s
BindingDB Entry DOI: 10.7270/Q2V989R3
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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n/an/a 4.10n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using p-tyramine as substrate incubated for 15 mins prior to substrate addition measured after 20 mins by fluor...


Bioorg Med Chem 23: 3722-9 (2015)


Article DOI: 10.1016/j.bmc.2015.04.009
BindingDB Entry DOI: 10.7270/Q2S46TQR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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n/an/a 4.10n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA assessed as H2O2 production by Amplex Red reagent-based assay


J Med Chem 55: 8483-92 (2012)


Article DOI: 10.1021/jm300978h
BindingDB Entry DOI: 10.7270/Q29Z962V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM50042275
PNG
(CHEMBL3360732)
Show SMILES Cc1ccc2oc(=O)c(cc2c1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C16H11NO4/c1-10-2-7-15-12(8-10)9-14(16(18)21-15)11-3-5-13(6-4-11)17(19)20/h2-9H,1H3
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n/an/a 4.20n/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA expressed in BTI-TN-5B1-4 cells using p-tyramine substrate assessed as reduction in H2O2 production


Bioorg Med Chem Lett 25: 642-8 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.001
BindingDB Entry DOI: 10.7270/Q2WQ05DC
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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n/an/a 4.46n/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA by fluorimetric method


J Med Chem 51: 6740-51 (2008)


Article DOI: 10.1021/jm800656v
BindingDB Entry DOI: 10.7270/Q2NV9J3H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
PDB

UniProtKB/SwissProt
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CHEBI
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Article
PubMed
n/an/a 4.46n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of human MAO-A expressed in baculovirus infected BTI-TN-5B1-4 cells using p-tyramine as substrate incubated for 15 mins prior to substrate...


Eur J Med Chem 58: 405-17 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.032
BindingDB Entry DOI: 10.7270/Q20G3M75
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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