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Compile Data Set for Download or QSAR

Found 6660 hits Enz. Inhib. hit(s) with Target = 'Amine oxidase'   
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))
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
Monoamine Oxidase Type B (MAO-B)


(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 0.0250n/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-B in rat liver homogenates using [14C]-phenylethylamine as substrate preincubated for 30 mins by liquid scintillation...


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


Article DOI: 10.1016/j.ejmech.2012.03.022
BindingDB Entry DOI: 10.7270/Q25H7H97
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
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50282502
PNG
(7-(4-Fluoro-benzyloxy)-3,4-dimethyl-chromen-2-one ...)
Show SMILES Cc1c(C)c(=O)oc2cc(OCc3ccc(F)cc3)ccc12
Show InChI InChI=1S/C18H15FO3/c1-11-12(2)18(20)22-17-9-15(7-8-16(11)17)21-10-13-3-5-14(19)6-4-13/h3-9H,10H2,1-2H3
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n/an/a 0.400n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against monoamine oxidase B (MAO-B) in rat brain homogenate.


Bioorg Med Chem Lett 4: 1195-1198 (1994)


Article DOI: 10.1016/S0960-894X(01)80328-0
BindingDB Entry DOI: 10.7270/Q2QJ7HST
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)


Article DOI: 10.1016/j.bmcl.2012.02.090
BindingDB Entry DOI: 10.7270/Q2JW8FWM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50240393
PNG
(3,4-dimethyl-7-methoxycoumarin | 7-Methoxy-3,4-dim...)
Show SMILES COc1ccc2c(C)c(C)c(=O)oc2c1
Show InChI InChI=1S/C12H12O3/c1-7-8(2)12(13)15-11-6-9(14-3)4-5-10(7)11/h4-6H,1-3H3
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n/an/a 0.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against monoamine oxidase B (MAO-B) in rat brain homogenate.


Bioorg Med Chem Lett 4: 1195-1198 (1994)


Article DOI: 10.1016/S0960-894X(01)80328-0
BindingDB Entry DOI: 10.7270/Q2QJ7HST
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(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 0.5n/an/an/an/an/an/a



Dart NeuroScience, LLC

Curated by ChEMBL


Assay Description
Inhibition of MAO-B in rat whole brain homogenate in presence of clorgyline


Bioorg Med Chem 23: 770-8 (2015)


Article DOI: 10.1016/j.bmc.2014.12.063
BindingDB Entry DOI: 10.7270/Q2J38V8K
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM228079
PNG
(US9556160, ex 126)
Show SMILES COc1ncc(cn1)N1CCN(CC1)c1cccc(COC(=O)CC(N)=N)c1F
Show InChI InChI=1S/C19H23FN6O3/c1-28-19-23-10-14(11-24-19)25-5-7-26(8-6-25)15-4-2-3-13(18(15)20)12-29-17(27)9-16(21)22/h2-4,10-11H,5-9,12H2,1H3,(H3,21,22)
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n/an/a 0.530n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm Bull. 2005 March; 28(3): 413-8) activity was measured by a radiochemistry-enzymatic assay using 14C-...


US Patent US9556160 (2017)

More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50282510
PNG
(7-(4-Chloro-benzyloxy)-3,4-dimethyl-chromen-2-one ...)
Show SMILES Cc1c(C)c(=O)oc2cc(OCc3ccc(Cl)cc3)ccc12
Show InChI InChI=1S/C18H15ClO3/c1-11-12(2)18(20)22-17-9-15(7-8-16(11)17)21-10-13-3-5-14(19)6-4-13/h3-9H,10H2,1-2H3
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against monoamine oxidase B (MAO-B) in rat brain homogenate.


Bioorg Med Chem Lett 4: 1195-1198 (1994)


Article DOI: 10.1016/S0960-894X(01)80328-0
BindingDB Entry DOI: 10.7270/Q2QJ7HST
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.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)


Article DOI: 10.1021/jm501722s
BindingDB Entry DOI: 10.7270/Q2V989R3
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)


Article DOI: 10.1016/j.ejmech.2012.03.022
BindingDB Entry DOI: 10.7270/Q25H7H97
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50282504
PNG
(7-(5-Cyclopropyl-isoxazol-3-ylmethoxy)-3,4-dimethy...)
Show SMILES Cc1c(C)c(=O)oc2cc(OCc3cc(on3)C3CC3)ccc12
Show InChI InChI=1S/C18H17NO4/c1-10-11(2)18(20)22-17-8-14(5-6-15(10)17)21-9-13-7-16(23-19-13)12-3-4-12/h5-8,12H,3-4,9H2,1-2H3
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n/an/a 0.800n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against monoamine oxidase B (MAO-B) in rat brain homogenate.


Bioorg Med Chem Lett 4: 1195-1198 (1994)


Article DOI: 10.1016/S0960-894X(01)80328-0
BindingDB Entry DOI: 10.7270/Q2QJ7HST
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM228098
PNG
(US9556160, ex 559 | US9556160, ex 567)
Show SMILES CC(=O)N1CCC(CC1)C1CN(C1)c1cccc(COC(=O)CC(N)=N)c1F
Show InChI InChI=1S/C20H27FN4O3/c1-13(26)24-7-5-14(6-8-24)16-10-25(11-16)17-4-2-3-15(20(17)21)12-28-19(27)9-18(22)23/h2-4,14,16H,5-12H2,1H3,(H3,22,23)
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n/an/a 0.810n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm Bull. 2005 March; 28(3): 413-8) activity was measured by a radiochemistry-enzymatic assay using 14C-...


US Patent US9556160 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM228098
PNG
(US9556160, ex 559 | US9556160, ex 567)
Show SMILES CC(=O)N1CCC(CC1)C1CN(C1)c1cccc(COC(=O)CC(N)=N)c1F
Show InChI InChI=1S/C20H27FN4O3/c1-13(26)24-7-5-14(6-8-24)16-10-25(11-16)17-4-2-3-15(20(17)21)12-28-19(27)9-18(22)23/h2-4,14,16H,5-12H2,1H3,(H3,22,23)
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n/an/a 0.810n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm Bull. 2005 March; 28(3): 413-8) activity was measured by a radiochemistry-enzymatic assay using 14C-...


US Patent US9556160 (2017)

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)


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 (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)


Article DOI: 10.1021/jm501722s
BindingDB Entry DOI: 10.7270/Q2V989R3
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50282514
PNG
(3,4-dimethyl-7-(4-methyl-benzyloxy)-chromen-2-one ...)
Show SMILES Cc1ccc(COc2ccc3c(C)c(C)c(=O)oc3c2)cc1
Show InChI InChI=1S/C19H18O3/c1-12-4-6-15(7-5-12)11-21-16-8-9-17-13(2)14(3)19(20)22-18(17)10-16/h4-10H,11H2,1-3H3
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n/an/a 0.900n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against monoamine oxidase B (MAO-B) in rat brain homogenate.


Bioorg Med Chem Lett 4: 1195-1198 (1994)


Article DOI: 10.1016/S0960-894X(01)80328-0
BindingDB Entry DOI: 10.7270/Q2QJ7HST
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM228087
PNG
(US9556160, ex 316)
Show SMILES COC1CN(C1)c1ncc(cn1)N1CCN(CC1)c1cccc(COC(=O)CC(N)=N)c1F
Show InChI InChI=1S/C22H28FN7O3/c1-32-17-12-30(13-17)22-26-10-16(11-27-22)28-5-7-29(8-6-28)18-4-2-3-15(21(18)23)14-33-20(31)9-19(24)25/h2-4,10-11,17H,5-9,12-14H2,1H3,(H3,24,25)
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n/an/a 0.900n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm Bull. 2005 March; 28(3): 413-8) activity was measured by a radiochemistry-enzymatic assay using 14C-...


US Patent US9556160 (2017)

More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50282506
PNG
(7-(5-Isopropyl-[1,3,4]thiadiazol-2-ylmethoxy)-3,4-...)
Show SMILES CC(C)c1nnc(COc2ccc3c(C)c(C)c(=O)oc3c2)s1
Show InChI InChI=1S/C17H18N2O3S/c1-9(2)16-19-18-15(23-16)8-21-12-5-6-13-10(3)11(4)17(20)22-14(13)7-12/h5-7,9H,8H2,1-4H3
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against monoamine oxidase B (MAO-B) in rat brain homogenate.


Bioorg Med Chem Lett 4: 1195-1198 (1994)


Article DOI: 10.1016/S0960-894X(01)80328-0
BindingDB Entry DOI: 10.7270/Q2QJ7HST
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM228083
PNG
(US9556160, ex 273)
Show SMILES NC(=N)CC(=O)OCc1cccc(N2CCN(CC2)C(=O)CC2CCOCC2)c1F
Show InChI InChI=1S/C21H29FN4O4/c22-21-16(14-30-20(28)13-18(23)24)2-1-3-17(21)25-6-8-26(9-7-25)19(27)12-15-4-10-29-11-5-15/h1-3,15H,4-14H2,(H3,23,24)
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n/an/a 0.950n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm Bull. 2005 March; 28(3): 413-8) activity was measured by a radiochemistry-enzymatic assay using 14C-...


US Patent US9556160 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM228093
PNG
(US9556160, ex 554)
Show SMILES COCc1ccc(cn1)N1CCN(CC1)c1cccc(COC(=O)CC(N)=N)c1F
Show InChI InChI=1S/C21H26FN5O3/c1-29-14-16-5-6-17(12-25-16)26-7-9-27(10-8-26)18-4-2-3-15(21(18)22)13-30-20(28)11-19(23)24/h2-6,12H,7-11,13-14H2,1H3,(H3,23,24)
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n/an/a 0.970n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm Bull. 2005 March; 28(3): 413-8) activity was measured by a radiochemistry-enzymatic assay using 14C-...


US Patent US9556160 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM228084
PNG
(US9556160, ex 293)
Show SMILES NC(=N)CC(=O)OCc1cccc(N2CCN(CC2)c2cccnc2)c1F
Show InChI InChI=1S/C19H22FN5O2/c20-19-14(13-27-18(26)11-17(21)22)3-1-5-16(19)25-9-7-24(8-10-25)15-4-2-6-23-12-15/h1-6,12H,7-11,13H2,(H3,21,22)
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n/an/a 0.970n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm Bull. 2005 March; 28(3): 413-8) activity was measured by a radiochemistry-enzymatic assay using 14C-...


US Patent US9556160 (2017)

More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50409078
PNG
(CHEMBL325761)
Show SMILES Cc1c(C)c(=O)oc2cc(OCc3ccc(F)c(F)c3)ccc12
Show InChI InChI=1S/C18H14F2O3/c1-10-11(2)18(21)23-17-8-13(4-5-14(10)17)22-9-12-3-6-15(19)16(20)7-12/h3-8H,9H2,1-2H3
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China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of rat brain mitochondrial MAOB using kynuramine as substrate assessed as decrease in 4-hydroxyquinoline production by spectrophotometry


Bioorg Med Chem 24: 5929-5940 (2016)


Article DOI: 10.1016/j.bmc.2016.09.050
BindingDB Entry DOI: 10.7270/Q2FN1854
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM228082
PNG
(US9556160, ex 220)
Show SMILES CC(=O)N1CCC(CC1)OC1CCN(CC1)c1cccc(COC(=O)CC(N)=N)c1F
Show InChI InChI=1S/C22H31FN4O4/c1-15(28)26-9-5-17(6-10-26)31-18-7-11-27(12-8-18)19-4-2-3-16(22(19)23)14-30-21(29)13-20(24)25/h2-4,17-18H,5-14H2,1H3,(H3,24,25)
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n/an/a 1n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm Bull. 2005 March; 28(3): 413-8) activity was measured by a radiochemistry-enzymatic assay using 14C-...


US Patent US9556160 (2017)

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)


Article DOI: 10.1016/j.bioorg.2016.11.004
BindingDB Entry DOI: 10.7270/Q2WM1C7Z
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)


Article DOI: 10.1021/jm950595m
BindingDB Entry DOI: 10.7270/Q2TM796B
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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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)


Article DOI: 10.1021/jm501722s
BindingDB Entry DOI: 10.7270/Q2V989R3
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)


Article DOI: 10.1021/jm501722s
BindingDB Entry DOI: 10.7270/Q2V989R3
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.


J Med Chem 25: 340-6 (1982)


Article DOI: 10.1021/jm00346a003
BindingDB Entry DOI: 10.7270/Q2862H1K
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(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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TBA

Curated by ChEMBL


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


J Med Chem 25: 340-6 (1982)


Article DOI: 10.1021/jm00346a003
BindingDB Entry DOI: 10.7270/Q2862H1K
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50046943
PNG
(CHEMBL3319268)
Show SMILES Clc1ccc(NC(=O)c2ccc3[nH]ccc3c2)cc1Cl
Show InChI InChI=1S/C15H10Cl2N2O/c16-12-3-2-11(8-13(12)17)19-15(20)10-1-4-14-9(7-10)5-6-18-14/h1-8,18H,(H,19,20)
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n/an/a 1n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50409078
PNG
(CHEMBL325761)
Show SMILES Cc1c(C)c(=O)oc2cc(OCc3ccc(F)c(F)c3)ccc12
Show InChI InChI=1S/C18H14F2O3/c1-10-11(2)18(21)23-17-8-13(4-5-14(10)17)22-9-12-3-6-15(19)16(20)7-12/h3-8H,9H2,1-2H3
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n/an/a 1.10n/an/an/an/an/an/a



Universit£ de Lausanne

Curated by ChEMBL


Assay Description
Inhibitory activity against monoamine oxidase B


J Med Chem 44: 3195-8 (2001)


Article DOI: 10.1021/jm010894d
BindingDB Entry DOI: 10.7270/Q2HQ417K
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM228072
PNG
(US9556160, ex 63)
Show SMILES COC1CN(C1)c1ncc(cn1)-c1cccc(COC(=O)CC(N)=N)c1F
Show InChI InChI=1S/C18H20FN5O3/c1-26-13-8-24(9-13)18-22-6-12(7-23-18)14-4-2-3-11(17(14)19)10-27-16(25)5-15(20)21/h2-4,6-7,13H,5,8-10H2,1H3,(H3,20,21)
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n/an/a 1.10n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm Bull. 2005 March; 28(3): 413-8) activity was measured by a radiochemistry-enzymatic assay using 14C-...


US Patent US9556160 (2017)

More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50046944
PNG
(CHEMBL3319269)
Show SMILES Cn1ccc2cc(ccc12)C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H12Cl2N2O/c1-20-7-6-10-8-11(2-5-15(10)20)16(21)19-12-3-4-13(17)14(18)9-12/h2-9H,1H3,(H,19,21)
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University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50409078
PNG
(CHEMBL325761)
Show SMILES Cc1c(C)c(=O)oc2cc(OCc3ccc(F)c(F)c3)ccc12
Show InChI InChI=1S/C18H14F2O3/c1-10-11(2)18(21)23-17-8-13(4-5-14(10)17)22-9-12-3-6-15(19)16(20)7-12/h3-8H,9H2,1-2H3
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n/an/a 1.15n/an/an/an/an/an/a



Universit£ de Lausanne

Curated by ChEMBL


Assay Description
Inhibitory effect on Monoamine oxidase B, SD on IC50 values < 10%


J Med Chem 43: 4747-58 (2000)


Article DOI: 10.1021/jm001028o
BindingDB Entry DOI: 10.7270/Q20K29RT
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM228097
PNG
(US9556160, ex 558)
Show SMILES COCc1cncc(c1)N1CCN(CC1)c1cccc(COC(=O)CC(N)=N)c1F
Show InChI InChI=1S/C21H26FN5O3/c1-29-13-15-9-17(12-25-11-15)26-5-7-27(8-6-26)18-4-2-3-16(21(18)22)14-30-20(28)10-19(23)24/h2-4,9,11-12H,5-8,10,13-14H2,1H3,(H3,23,24)
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n/an/a 1.20n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm Bull. 2005 March; 28(3): 413-8) activity was measured by a radiochemistry-enzymatic assay using 14C-...


US Patent US9556160 (2017)

More data for this
Ligand-Target Pair
Monoamine oxidase B


(Bos taurus)
BDBM50093778
PNG
(CHEMBL3585828)
Show SMILES NNC(=O)C(Cc1ccccc1)N1C(Nc2ccccc2C1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H21N6O9P/c16-6(1-2-8(22)23)15(26)30-31(27,28)3-7-10(24)11(25)14(29-7)21-5-20-9-12(17)18-4-19-13(9)21/h4-7,10-11,14,24-25H,1-3,16H2,(H,22,23)(H,27,28)(H2,17,18,19)/t6?,7-,10?,11?,14?/m0/s1
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Alexandria University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondria MAO-A using serotonin substrate after 60 mins by fluorimetric method


Bioorg Med Chem 23: 3574-85 (2015)


Article DOI: 10.1016/j.bmc.2015.04.021
BindingDB Entry DOI: 10.7270/Q28K7BVZ
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)


J Med Chem 36: 1157-67 (1993)


Article DOI: 10.1021/jm00061a006
BindingDB Entry DOI: 10.7270/Q2765FZP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM228105
PNG
(US9556160, ex 566)
Show SMILES COCc1cc(ccn1)N1CCN(CC1)c1cccc(COC(=O)CC(N)=N)c1F
Show InChI InChI=1S/C21H26FN5O3/c1-29-14-16-11-17(5-6-25-16)26-7-9-27(10-8-26)18-4-2-3-15(21(18)22)13-30-20(28)12-19(23)24/h2-6,11H,7-10,12-14H2,1H3,(H3,23,24)
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Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm Bull. 2005 March; 28(3): 413-8) activity was measured by a radiochemistry-enzymatic assay using 14C-...


US Patent US9556160 (2017)

More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
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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University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50282519
PNG
(7-(3-Isopropyl-[1,2,4]oxadiazol-5-ylmethoxy)-3,4-d...)
Show SMILES CC(C)c1noc(COc2ccc3c(C)c(C)c(=O)oc3c2)n1
Show InChI InChI=1S/C17H18N2O4/c1-9(2)16-18-15(23-19-16)8-21-12-5-6-13-10(3)11(4)17(20)22-14(13)7-12/h5-7,9H,8H2,1-4H3
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against monoamine oxidase B (MAO-B) in rat brain homogenate.


Bioorg Med Chem Lett 4: 1195-1198 (1994)


Article DOI: 10.1016/S0960-894X(01)80328-0
BindingDB Entry DOI: 10.7270/Q2QJ7HST
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM228095
PNG
(US9556160, ex 556)
Show SMILES NC(=N)CC(=O)OCc1cccc(N2CCN(CC2)c2ccn3ccnc3c2)c1F
Show InChI InChI=1S/C21H23FN6O2/c22-21-15(14-30-20(29)13-18(23)24)2-1-3-17(21)27-10-8-26(9-11-27)16-4-6-28-7-5-25-19(28)12-16/h1-7,12H,8-11,13-14H2,(H3,23,24)
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Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm Bull. 2005 March; 28(3): 413-8) activity was measured by a radiochemistry-enzymatic assay using 14C-...


US Patent US9556160 (2017)

More data for this
Ligand-Target Pair
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)


Article DOI: 10.1016/j.bmcl.2005.11.088
BindingDB Entry DOI: 10.7270/Q2DZ07V3
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50282521
PNG
(7-(2-Isopropyl-thiazol-4-ylmethoxy)-3,4-dimethyl-c...)
Show SMILES CC(C)c1nc(COc2ccc3c(C)c(C)c(=O)oc3c2)cs1
Show InChI InChI=1S/C18H19NO3S/c1-10(2)17-19-13(9-23-17)8-21-14-5-6-15-11(3)12(4)18(20)22-16(15)7-14/h5-7,9-10H,8H2,1-4H3
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n/an/a 1.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against monoamine oxidase B (MAO-B) in rat brain homogenate.


Bioorg Med Chem Lett 4: 1195-1198 (1994)


Article DOI: 10.1016/S0960-894X(01)80328-0
BindingDB Entry DOI: 10.7270/Q2QJ7HST
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM228077
PNG
(US9556160, ex 110)
Show SMILES CC1(O)CCN(CC1)c1ncc(cn1)N1CCN(CC1)c1cccc(COC(=O)CC(N)=N)c1F
Show InChI InChI=1S/C24H32FN7O3/c1-24(34)5-7-32(8-6-24)23-28-14-18(15-29-23)30-9-11-31(12-10-30)19-4-2-3-17(22(19)25)16-35-21(33)13-20(26)27/h2-4,14-15,34H,5-13,16H2,1H3,(H3,26,27)
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n/an/a 1.40n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm Bull. 2005 March; 28(3): 413-8) activity was measured by a radiochemistry-enzymatic assay using 14C-...


US Patent US9556160 (2017)

More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50046950
PNG
(CHEMBL3319244)
Show SMILES Clc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1Cl
Show InChI InChI=1S/C14H9Cl2N3O/c15-11-3-2-10(6-12(11)16)18-14(20)8-1-4-13-9(5-8)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
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n/an/a 1.40n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50029825
PNG
(3-[5-(4-Benzyloxy-phenyl)-2-oxo-[1,3,4]oxadiazol-3...)
Show SMILES O=c1oc(nn1CCC#N)-c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C18H15N3O3/c19-11-4-12-21-18(22)24-17(20-21)15-7-9-16(10-8-15)23-13-14-5-2-1-3-6-14/h1-3,5-10H,4,12-13H2
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n/an/a 1.40n/an/an/an/an/an/a



Universit£ Paris 7

Curated by ChEMBL


Assay Description
Compound was evaluated for the time-dependence inhibition of MAO-B at 60 minutes preincubation periods


J Med Chem 36: 1157-67 (1993)


Article DOI: 10.1021/jm00061a006
BindingDB Entry DOI: 10.7270/Q2765FZP
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)


Article DOI: 10.1021/jm501722s
BindingDB Entry DOI: 10.7270/Q2V989R3
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM228101
PNG
(US9556160, ex 562)
Show SMILES COCC(=O)N1CCC(CC1)C1CN(C1)c1cccc(COC(=O)CC(N)=N)c1F
Show InChI InChI=1S/C21H29FN4O4/c1-29-13-19(27)25-7-5-14(6-8-25)16-10-26(11-16)17-4-2-3-15(21(17)22)12-30-20(28)9-18(23)24/h2-4,14,16H,5-13H2,1H3,(H3,23,24)
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n/an/a 1.40n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm Bull. 2005 March; 28(3): 413-8) activity was measured by a radiochemistry-enzymatic assay using 14C-...


US Patent US9556160 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM228099
PNG
(US9556160, ex 560)
Show SMILES CCC(=O)N1CCC(CC1)C1CN(C1)c1cccc(COC(=O)CC(N)=N)c1F
Show InChI InChI=1S/C21H29FN4O3/c1-2-19(27)25-8-6-14(7-9-25)16-11-26(12-16)17-5-3-4-15(21(17)22)13-29-20(28)10-18(23)24/h3-5,14,16H,2,6-13H2,1H3,(H3,23,24)
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n/an/a 1.40n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm Bull. 2005 March; 28(3): 413-8) activity was measured by a radiochemistry-enzymatic assay using 14C-...


US Patent US9556160 (2017)

More data for this
Ligand-Target Pair
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