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Compile Data Set for Download or QSAR

Found 3242 hits of ic50 data for polymerid = 1129,384   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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)

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)

More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
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 0.420n/an/an/an/an/an/a



General Hospital of PLA

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in Sprague-Dawley rat brain homogenate using kynuramine as substrate preincubated for 10 mins measured by fluorimetric assay


Bioorg Med Chem Lett 22: 3343-8 (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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.C2H2O4/c1-4-6-12(3)8-10(2)11-5-7-13-9-11;3-1(4)2(5)6/h1,5,7,9H,2,6,8H2,3H3;(H,3,4)(H,5,6)
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n/an/a 0.720n/an/an/an/an/an/a



A* STAR (Agency of Science, Technology and Research)

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)

More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50381960
PNG
(CHEMBL2022927)
Show SMILES CN(CC#C)Cc1cc2cc(OCc3ccccc3)ccc2[nH]1
Show InChI InChI=1S/C20H20N2O/c1-3-11-22(2)14-18-12-17-13-19(9-10-20(17)21-18)23-15-16-7-5-4-6-8-16/h1,4-10,12-13,21H,11,14-15H2,2H3
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n/an/a 0.790n/an/an/an/an/an/a



Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of mitochondrial MAO-A in rat liver homogenates using [14C]-(5-hydroxy-triptamine) as substrate preincubated for 30 mins by liquid scintil...


Eur J Med Chem 52: 251-62 (2012)

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 15782

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)

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 (Agency of Science, Technology and Research)

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)

More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50367064
PNG
(CHEMBL1204338)
Show SMILES CN1C(Cc2ccccc2N=C1C)c1ccccc1
Show InChI InChI=1S/C17H18N2/c1-13-18-16-11-7-6-10-15(16)12-17(19(13)2)14-8-4-3-5-9-14/h3-11,17H,12H2,1-2H3
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n/an/a>1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibition of rat brain mitochondrial monoamine oxidase A.


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


(Rattus norvegicus (rat))
BDBM10989
PNG
((1R)-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-ami...)
Show SMILES C#CCN[C@@H]1CCc2ccccc12
Show InChI InChI=1S/C12H13N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-6,12-13H,7-9H2/t12-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



A* STAR (Agency of Science, Technology and Research)

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-A in nuclei-free homogenates using [14C]hydroxytryptamine substrate after 20 mins by liquid scintillation counting


J Med Chem 58: 1400-19 (2015)

More data for this
Ligand-Target Pair
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.C2H2O4/c1-4-7-16(3)9-10(2)11-5-6-12(14)13(15)8-11;3-1(4)2(5)6/h1,5-6,8H,2,7,9H2,3H3;(H,3,4)(H,5,6)
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n/an/a 1n/an/an/an/an/an/a



A* STAR (Agency of Science, Technology and Research)

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)

More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50049682
PNG
(2-Methoxy-6-(5-methyl-[1,3,4]oxadiazol-2-yl)-10,10...)
Show SMILES COc1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)-c1nnc(C)o1
Show InChI InChI=1S/C17H12N2O5S/c1-9-18-19-17(24-9)10-3-5-12-15(7-10)25(21,22)14-6-4-11(23-2)8-13(14)16(12)20/h3-8H,1-2H3
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n/an/a 1n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain mitochondrial monoamine oxidase A


J Med Chem 39: 1857-63 (1996)

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/an/an/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)

More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
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 1.20n/an/an/an/an/an/a



Universit£ Paris 7

Curated by ChEMBL


Assay Description
In vitro inhibitory activity on rat brain by monoamine oxidase A (MAO-A)


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


(Rattus norvegicus (rat))
BDBM50179019
PNG
(3-benzyl-N-(2-morpholinoethyl)quinoxalin-2-amine |...)
Show SMILES C(CN1CCOCC1)Nc1nc2ccccc2nc1Cc1ccccc1
Show InChI InChI=1S/C21H24N4O/c1-2-6-17(7-3-1)16-20-21(22-10-11-25-12-14-26-15-13-25)24-19-9-5-4-8-18(19)23-20/h1-9H,10-16H2,(H,22,24)
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n/an/a 1.30n/an/an/an/an/an/a



University of Alexandria

Curated by ChEMBL


Assay Description
Inhibition of rat liver mitochondria MAOA


Bioorg Med Chem Lett 16: 1753-6 (2006)

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.C2H2O4/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;3-1(4)2(5)6/h1,5-11,13H,2,12,14-15H2,3H3;(H,3,4)(H,5,6)
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n/an/a 1.40n/an/an/an/an/an/a



A* STAR (Agency of Science, Technology and Research)

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)

More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50075965
PNG
(CHEMBL3415613)
Show SMILES C[NH+](CC#C)CC(=C)c1cccc(COc2ccccc2)c1
Show InChI InChI=1S/C20H21NO.C2H2O4/c1-4-13-21(3)15-17(2)19-10-8-9-18(14-19)16-22-20-11-6-5-7-12-20;3-1(4)2(5)6/h1,5-12,14H,2,13,15-16H2,3H3;(H,3,4)(H,5,6)
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n/an/a 1.5n/an/an/an/an/an/a



A* STAR (Agency of Science, Technology and Research)

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-A in nuclei-free homogenates using [14C]hydroxytryptamine substrate after 20 mins by liquid scintillation counting


J Med Chem 58: 1400-19 (2015)

More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50179021
PNG
(3-(4-chlorobenzyl)-N-(2-morpholinoethyl)quinoxalin...)
Show SMILES Clc1ccc(Cc2nc3ccccc3nc2NCCN2CCOCC2)cc1
Show InChI InChI=1S/C21H23ClN4O/c22-17-7-5-16(6-8-17)15-20-21(23-9-10-26-11-13-27-14-12-26)25-19-4-2-1-3-18(19)24-20/h1-8H,9-15H2,(H,23,25)
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n/an/a 1.70n/an/an/an/an/an/a



University of Alexandria

Curated by ChEMBL


Assay Description
Inhibition of rat liver mitochondria MAOA


Bioorg Med Chem Lett 16: 1753-6 (2006)

More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50088560
PNG
(CHEMBL3577045)
Show SMILES COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1
Show InChI InChI=1S/C21H21N3O6/c1-13(25)23-17-6-4-3-5-16(17)19(27)21(29)24-15-9-7-14(8-10-15)20(28)22-12-11-18(26)30-2/h3-10H,11-12H2,1-2H3,(H,22,28)(H,23,25)(H,24,29)
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n/an/a 1.80n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in rat liver mitochondria using serotonin as substrate preincubated with enzyme for 60 mins prior to substrate addition


Bioorg Med Chem Lett 25: 70-4 (2015)

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 (Agency of Science, Technology and Research)

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)

More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50049703
PNG
(6-(2-Methyl-2H-tetrazol-5-yl)-10,10-dioxo-2-propox...)
Show SMILES CCCOc1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)-c1nnn(C)n1
Show InChI InChI=1S/C18H16N4O4S/c1-3-8-26-12-5-7-15-14(10-12)17(23)13-6-4-11(9-16(13)27(15,24)25)18-19-21-22(2)20-18/h4-7,9-10H,3,8H2,1-2H3
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Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain mitochondrial monoamine oxidase A


J Med Chem 39: 1857-63 (1996)

More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50049704
PNG
(2-(5-Methyl-[1,3,4]oxadiazol-2-yl)-10,11-dioxa-dib...)
Show SMILES Cc1nnc(o1)-c1ccc2c(OOc3ccccc3C2=O)c1
Show InChI InChI=1S/C16H10N2O4/c1-9-17-18-16(20-9)10-6-7-12-14(8-10)22-21-13-5-3-2-4-11(13)15(12)19/h2-8H,1H3
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Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Monoamine oxidase A


J Med Chem 39: 1857-63 (1996)

More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50049701
PNG
(3-(5-Methyl-[1,3,4]oxadiazol-2-yl)-10,10-dioxo-10H...)
Show SMILES Cc1nnc(o1)-c1ccc2C(=O)c3ccccc3S(=O)(=O)c2c1
Show InChI InChI=1S/C16H10N2O4S/c1-9-17-18-16(22-9)10-6-7-12-14(8-10)23(20,21)13-5-3-2-4-11(13)15(12)19/h2-8H,1H3
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Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain mitochondrial monoamine oxidase A


J Med Chem 39: 1857-63 (1996)

More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50049666
PNG
(5-(10,10-Dioxo-10H-10lambda*6*-phenoxathiin-2-yl)-...)
Show SMILES Cn1nnc(n1)-c1ccc2Oc3ccccc3S(=O)(=O)c2c1
Show InChI InChI=1S/C14H10N4O3S/c1-18-16-14(15-17-18)9-6-7-11-13(8-9)22(19,20)12-5-3-2-4-10(12)21-11/h2-8H,1H3
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Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain mitochondrial monoamine oxidase A


J Med Chem 39: 1857-63 (1996)

More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50049671
PNG
(2-Methyl-6-(5-methyl-[1,3,4]oxadiazol-2-yl)-10,10-...)
Show SMILES Cc1nnc(o1)-c1ccc2C(=O)c3cc(C)ccc3S(=O)(=O)c2c1
Show InChI InChI=1S/C17H12N2O4S/c1-9-3-6-14-13(7-9)16(20)12-5-4-11(8-15(12)24(14,21)22)17-19-18-10(2)23-17/h3-8H,1-2H3
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n/an/a 2n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain mitochondrial monoamine oxidase A


J Med Chem 39: 1857-63 (1996)

More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50049686
PNG
(2-Methoxy-6-(2-methyl-2H-tetrazol-5-yl)-10,10-diox...)
Show SMILES COc1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)-c1nnn(C)n1
Show InChI InChI=1S/C16H12N4O4S/c1-20-18-16(17-19-20)9-3-5-11-14(7-9)25(22,23)13-6-4-10(24-2)8-12(13)15(11)21/h3-8H,1-2H3
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n/an/a 2n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain mitochondrial monoamine oxidase A


J Med Chem 39: 1857-63 (1996)

More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50075969
PNG
(CHEMBL3415617)
Show SMILES C[NH+](CC#C)CC(=C)c1cccc(OCc2cccc(F)c2)c1
Show InChI InChI=1S/C20H20FNO.C2H2O4/c1-4-11-22(3)14-16(2)18-8-6-10-20(13-18)23-15-17-7-5-9-19(21)12-17;3-1(4)2(5)6/h1,5-10,12-13H,2,11,14-15H2,3H3;(H,3,4)(H,5,6)
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n/an/a 2n/an/an/an/an/an/a



A* STAR (Agency of Science, Technology and Research)

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-A in nuclei-free homogenates using [14C]hydroxytryptamine substrate after 20 mins by liquid scintillation counting


J Med Chem 58: 1400-19 (2015)

More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50059304
PNG
(9,10,10-Trioxo-7-propoxy-9,10-dihydro-10lambda*6*-...)
Show SMILES CCCOc1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)C(=O)NC
Show InChI InChI=1S/C18H17NO5S/c1-3-8-24-12-5-7-15-14(10-12)17(20)13-6-4-11(18(21)19-2)9-16(13)25(15,22)23/h4-7,9-10H,3,8H2,1-2H3,(H,19,21)
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n/an/a 2n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Monoamine oxidase A (MAO A) in rat brain.


J Med Chem 40: 2466-73 (1997)

More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50179017
PNG
(1-(3-(4-chlorobenzyl)quinoxalin-2-yl)hydrazine | C...)
Show SMILES NNc1nc2ccccc2nc1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C15H13ClN4/c16-11-7-5-10(6-8-11)9-14-15(20-17)19-13-4-2-1-3-12(13)18-14/h1-8H,9,17H2,(H,19,20)
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n/an/a 2.10n/an/an/an/an/an/a



University of Alexandria

Curated by ChEMBL


Assay Description
Inhibition of rat liver mitochondria MAOA


Bioorg Med Chem Lett 16: 1753-6 (2006)

More data for this
Ligand-Target Pair
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.C2H2O4/c1-4-7-16(3)9-10(2)11-5-6-12(14)13(15)8-11;3-1(4)2(5)6/h1,5-6,8H,2,7,9H2,3H3;(H,3,4)(H,5,6)
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n/an/a 2.30n/an/an/an/an/an/a



A* STAR (Agency of Science, Technology and Research)

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)

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)

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 expressed in baculovirus infected High 5 insect cells using kynuramine as substrate incubated for 30 mins by sp...


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
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)

More data for this
Ligand-Target Pair
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)

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 after 30 mins by fluorescence spectrophotometry


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


(Rattus norvegicus (rat))
BDBM50088564
PNG
(CHEMBL3577041)
Show SMILES COC(=O)[C@@H](NC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1)C(C)C
Show InChI InChI=1S/C23H25N3O6/c1-13(2)19(23(31)32-4)26-21(29)15-9-11-16(12-10-15)25-22(30)20(28)17-7-5-6-8-18(17)24-14(3)27/h5-13,19H,1-4H3,(H,24,27)(H,25,30)(H,26,29)/t19-/m0/s1
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n/an/a 2.80n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in rat liver mitochondria using serotonin as substrate preincubated with enzyme for 60 mins prior to substrate addition


Bioorg Med Chem Lett 25: 70-4 (2015)

More data for this
Ligand-Target Pair
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)

More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
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 2.90n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in rat liver mitochondria using serotonin as substrate preincubated with enzyme for 60 mins prior to substrate addition


Bioorg Med Chem Lett 25: 70-4 (2015)

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



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA


Citation and Details
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 3.10n/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)

More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50088568
PNG
(CHEMBL3577037)
Show SMILES COC(=O)CCNC(=O)C(=O)c1ccccc1NC(C)=O
Show InChI InChI=1S/C14H16N2O5/c1-9(17)16-11-6-4-3-5-10(11)13(19)14(20)15-8-7-12(18)21-2/h3-6H,7-8H2,1-2H3,(H,15,20)(H,16,17)
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n/an/a 3.30n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in rat liver mitochondria using serotonin as substrate preincubated with enzyme for 60 mins prior to substrate addition


Bioorg Med Chem Lett 25: 70-4 (2015)

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



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...


Citation and Details
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)

More data for this
Ligand-Target Pair
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 (Agency of Science, Technology and Research)

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)

More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50088563
PNG
(CHEMBL3577042)
Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1
Show InChI InChI=1S/C27H25N3O6/c1-17(31)28-22-11-7-6-10-21(22)24(32)26(34)29-20-14-12-19(13-15-20)25(33)30-23(27(35)36-2)16-18-8-4-3-5-9-18/h3-15,23H,16H2,1-2H3,(H,28,31)(H,29,34)(H,30,33)/t23-/m0/s1
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n/an/a 3.60n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in rat liver mitochondria using serotonin as substrate preincubated with enzyme for 60 mins prior to substrate addition


Bioorg Med Chem Lett 25: 70-4 (2015)

More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50088565
PNG
(CHEMBL3577040)
Show SMILES COC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1
Show InChI InChI=1S/C21H21N3O6/c1-12(21(29)30-3)22-19(27)14-8-10-15(11-9-14)24-20(28)18(26)16-6-4-5-7-17(16)23-13(2)25/h4-12H,1-3H3,(H,22,27)(H,23,25)(H,24,28)/t12-/m0/s1
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n/an/a 3.60n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in rat liver mitochondria using serotonin as substrate preincubated with enzyme for 60 mins prior to substrate addition


Bioorg Med Chem Lett 25: 70-4 (2015)

More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50179020
PNG
(2-(3-benzylquinoxalin-2-ylamino)ethanol | CHEMBL20...)
Show SMILES OCCNc1nc2ccccc2nc1Cc1ccccc1
Show InChI InChI=1S/C17H17N3O/c21-11-10-18-17-16(12-13-6-2-1-3-7-13)19-14-8-4-5-9-15(14)20-17/h1-9,21H,10-12H2,(H,18,20)
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n/an/a 3.70n/an/an/an/an/an/a



University of Alexandria

Curated by ChEMBL


Assay Description
Inhibition of rat liver mitochondria MAOA


Bioorg Med Chem Lett 16: 1753-6 (2006)

More data for this
Ligand-Target Pair
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 (Agency of Science, Technology and Research)

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)

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 15782

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA by fluorimetric method


J Med Chem 51: 6740-51 (2008)

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.C2H2O4/c1-4-9-15(3)10-11(2)12-5-7-13(14)8-6-12;3-1(4)2(5)6/h1,5-8H,2,9-10H2,3H3;(H,3,4)(H,5,6)
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n/an/a 3.90n/an/an/an/an/an/a



A* STAR (Agency of Science, Technology and Research)

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)

More data for this
Ligand-Target Pair
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