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Found 9474 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
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
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
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
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
Amine oxidase, copper containing


(Rattus norvegicus (Rat))
BDBM309489
PNG
(US9603833, Example 111)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CCc2cccc(COC(=O)NN)c2)nc1
Show InChI InChI=1S/C21H27N5O3/c1-16(27)25-9-11-26(12-10-25)20-8-7-19(23-14-20)6-5-17-3-2-4-18(13-17)15-29-21(28)24-22/h2-4,7-8,13-14H,5-6,9-12,15,22H2,1H3,(H,24,28)
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n/an/a 0.400n/an/an/an/an/an/a



R-Tech Ueno, Ltd.

US Patent


Assay Description
The compounds of the present invention obtained in Production Examples were examined for the inhibitory effect on human and rat VAP-1 enzyme (SSAO) b...


US Patent US9603833 (2017)


Article DOI: 10.1021/jm950576c
BindingDB Entry DOI: 10.7270/Q2W37ZCW
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))
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
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 0.5n/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)
Monoamine oxidase


(Mus musculus)
BDBM50490813
PNG
(CHEMBL2346911)
Show SMILES C\C(CC[C@@H](O)C(C)=C)=C/COc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C19H22O4/c1-13(2)17(20)8-4-14(3)10-11-22-16-7-5-15-6-9-19(21)23-18(15)12-16/h5-7,9-10,12,17,20H,1,4,8,11H2,2-3H3/b14-10+/t17-/m1/s1
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R.C. Patel Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibition of mouse brain MAO-B


Bioorg Med Chem 21: 2434-50 (2013)

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


(Homo sapiens (Human))
BDBM309489
PNG
(US9603833, Example 111)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CCc2cccc(COC(=O)NN)c2)nc1
Show InChI InChI=1S/C21H27N5O3/c1-16(27)25-9-11-26(12-10-25)20-8-7-19(23-14-20)6-5-17-3-2-4-18(13-17)15-29-21(28)24-22/h2-4,7-8,13-14H,5-6,9-12,15,22H2,1H3,(H,24,28)
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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 Production Examples were examined for the inhibitory effect on human and rat VAP-1 enzyme (SSAO) b...


US Patent US9603833 (2017)


Article DOI: 10.1021/jm950576c
BindingDB Entry DOI: 10.7270/Q2W37ZCW
More data for this
Ligand-Target Pair
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
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/a25



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)


BindingDB Entry DOI: 10.7270/Q2KP845Q
More data for this
Ligand-Target Pair
Amine oxidase, copper containing


(Rattus norvegicus (Rat))
BDBM309497
PNG
(US9603833, Example 120)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CCc2ccc(CC(=O)NN)s2)nc1
Show InChI InChI=1S/C19H25N5O2S/c1-14(25)23-8-10-24(11-9-23)16-4-2-15(21-13-16)3-5-17-6-7-18(27-17)12-19(26)22-20/h2,4,6-7,13H,3,5,8-12,20H2,1H3,(H,22,26)
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n/an/a 0.600n/an/an/an/an/an/a



R-Tech Ueno, Ltd.

US Patent


Assay Description
The compounds of the present invention obtained in Production Examples were examined for the inhibitory effect on human and rat VAP-1 enzyme (SSAO) b...


US Patent US9603833 (2017)


Article DOI: 10.1021/jm950576c
BindingDB Entry DOI: 10.7270/Q2W37ZCW
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
Monoamine oxidase


(Mus musculus)
BDBM50361373
PNG
(AURAPTENE)
Show SMILES CC(C)=CCC\C(C)=C\COc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C19H22O3/c1-14(2)5-4-6-15(3)11-12-21-17-9-7-16-8-10-19(20)22-18(16)13-17/h5,7-11,13H,4,6,12H2,1-3H3/b15-11+
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n/an/a 0.600n/an/an/an/an/an/a



R.C. Patel Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibition of mouse brain MAO-B


Bioorg Med Chem 21: 2434-50 (2013)

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


(Homo sapiens (Human))
BDBM309490
PNG
(US9603833, Example 112)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CCc2cccc(CNC(=O)NN)c2)nc1
Show InChI InChI=1S/C21H28N6O2/c1-16(28)26-9-11-27(12-10-26)20-8-7-19(23-15-20)6-5-17-3-2-4-18(13-17)14-24-21(29)25-22/h2-4,7-8,13,15H,5-6,9-12,14,22H2,1H3,(H2,24,25,29)
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n/an/a 0.700n/an/an/an/an/an/a



R-Tech Ueno, Ltd.

US Patent


Assay Description
The compounds of the present invention obtained in Production Examples were examined for the inhibitory effect on human and rat VAP-1 enzyme (SSAO) b...


US Patent US9603833 (2017)


Article DOI: 10.1021/jm950576c
BindingDB Entry DOI: 10.7270/Q2W37ZCW
More data for this
Ligand-Target Pair
Amine oxidase, copper containing


(Rattus norvegicus (Rat))
BDBM309490
PNG
(US9603833, Example 112)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CCc2cccc(CNC(=O)NN)c2)nc1
Show InChI InChI=1S/C21H28N6O2/c1-16(28)26-9-11-27(12-10-26)20-8-7-19(23-15-20)6-5-17-3-2-4-18(13-17)14-24-21(29)25-22/h2-4,7-8,13,15H,5-6,9-12,14,22H2,1H3,(H2,24,25,29)
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n/an/a 0.700n/an/an/an/an/an/a



R-Tech Ueno, Ltd.

US Patent


Assay Description
The compounds of the present invention obtained in Production Examples were examined for the inhibitory effect on human and rat VAP-1 enzyme (SSAO) b...


US Patent US9603833 (2017)


Article DOI: 10.1021/jm950576c
BindingDB Entry DOI: 10.7270/Q2W37ZCW
More data for this
Ligand-Target Pair
Amine oxidase, copper containing


(Rattus norvegicus (Rat))
BDBM309491
PNG
(US9603833, Example 113)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CCc2ccc(COC(=O)NN)cc2F)nc1
Show InChI InChI=1S/C21H26FN5O3/c1-15(28)26-8-10-27(11-9-26)19-7-6-18(24-13-19)5-4-17-3-2-16(12-20(17)22)14-30-21(29)25-23/h2-3,6-7,12-13H,4-5,8-11,14,23H2,1H3,(H,25,29)
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n/an/a 0.700n/an/an/an/an/an/a



R-Tech Ueno, Ltd.

US Patent


Assay Description
The compounds of the present invention obtained in Production Examples were examined for the inhibitory effect on human and rat VAP-1 enzyme (SSAO) b...


US Patent US9603833 (2017)


Article DOI: 10.1021/jm950576c
BindingDB Entry DOI: 10.7270/Q2W37ZCW
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=1/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

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
Amine oxidase, copper containing


(Rattus norvegicus (Rat))
BDBM309479
PNG
(US9603833, Example 92)
Show SMILES CCCN(CCC)c1ccc(CCc2ccc(CC(=O)NN)cc2)cn1
Show InChI InChI=1S/C21H30N4O/c1-3-13-25(14-4-2)20-12-11-19(16-23-20)10-7-17-5-8-18(9-6-17)15-21(26)24-22/h5-6,8-9,11-12,16H,3-4,7,10,13-15,22H2,1-2H3,(H,24,26)
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n/an/a 0.800n/an/an/an/an/an/a



R-Tech Ueno, Ltd.

US Patent


Assay Description
The compounds of the present invention obtained in Production Examples were examined for the inhibitory effect on human and rat VAP-1 enzyme (SSAO) b...


US Patent US9603833 (2017)


Article DOI: 10.1021/jm950576c
BindingDB Entry DOI: 10.7270/Q2W37ZCW
More data for this
Ligand-Target Pair
Amine oxidase, copper containing


(Rattus norvegicus (Rat))
BDBM309486
PNG
(US9603833, Example 108)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CCc2ccc(COC(=O)NN)cc2)nc1
Show InChI InChI=1S/C21H27N5O3/c1-16(27)25-10-12-26(13-11-25)20-9-8-19(23-14-20)7-6-17-2-4-18(5-3-17)15-29-21(28)24-22/h2-5,8-9,14H,6-7,10-13,15,22H2,1H3,(H,24,28)
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R-Tech Ueno, Ltd.

US Patent


Assay Description
The compounds of the present invention obtained in Production Examples were examined for the inhibitory effect on human and rat VAP-1 enzyme (SSAO) b...


US Patent US9603833 (2017)


Article DOI: 10.1021/jm950576c
BindingDB Entry DOI: 10.7270/Q2W37ZCW
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/a25



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)


BindingDB Entry DOI: 10.7270/Q2KP845Q
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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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)


BindingDB Entry DOI: 10.7270/Q2KP845Q
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.ClH/c1-4-9-15(3)10-11(2)12-5-7-13(14)8-6-12;/h1,5-8H,2,9-10H2,3H3;1H
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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, copper containing


(Rattus norvegicus (Rat))
BDBM309476
PNG
(US9603833, Example 88)
Show SMILES CCN(CC)c1ccc(CCc2ccc(CC(=O)NN)cc2)nc1
Show InChI InChI=1S/C19H26N4O/c1-3-23(4-2)18-12-11-17(21-14-18)10-9-15-5-7-16(8-6-15)13-19(24)22-20/h5-8,11-12,14H,3-4,9-10,13,20H2,1-2H3,(H,22,24)
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n/an/a 0.900n/an/an/an/an/an/a



R-Tech Ueno, Ltd.

US Patent


Assay Description
The compounds of the present invention obtained in Production Examples were examined for the inhibitory effect on human and rat VAP-1 enzyme (SSAO) b...


US Patent US9603833 (2017)


Article DOI: 10.1021/jm950576c
BindingDB Entry DOI: 10.7270/Q2W37ZCW
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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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
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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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)


(Homo sapiens (Human))
BDBM309486
PNG
(US9603833, Example 108)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CCc2ccc(COC(=O)NN)cc2)nc1
Show InChI InChI=1S/C21H27N5O3/c1-16(27)25-10-12-26(13-11-25)20-9-8-19(23-14-20)7-6-17-2-4-18(5-3-17)15-29-21(28)24-22/h2-5,8-9,14H,6-7,10-13,15,22H2,1H3,(H,24,28)
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R-Tech Ueno, Ltd.

US Patent


Assay Description
The compounds of the present invention obtained in Production Examples were examined for the inhibitory effect on human and rat VAP-1 enzyme (SSAO) b...


US Patent US9603833 (2017)


Article DOI: 10.1021/jm950576c
BindingDB Entry DOI: 10.7270/Q2W37ZCW
More data for this
Ligand-Target Pair
Amine oxidase, copper containing


(Rattus norvegicus (Rat))
BDBM309477
PNG
(US9603833, Example 89)
Show SMILES CCN(C)c1ccc(CCc2ccc(CC(=O)NN)cc2)cn1
Show InChI InChI=1S/C18H24N4O/c1-3-22(2)17-11-10-16(13-20-17)9-6-14-4-7-15(8-5-14)12-18(23)21-19/h4-5,7-8,10-11,13H,3,6,9,12,19H2,1-2H3,(H,21,23)
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n/an/a 0.900n/an/an/an/an/an/a



R-Tech Ueno, Ltd.

US Patent


Assay Description
The compounds of the present invention obtained in Production Examples were examined for the inhibitory effect on human and rat VAP-1 enzyme (SSAO) b...


US Patent US9603833 (2017)


Article DOI: 10.1021/jm950576c
BindingDB Entry DOI: 10.7270/Q2W37ZCW
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM309491
PNG
(US9603833, Example 113)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CCc2ccc(COC(=O)NN)cc2F)nc1
Show InChI InChI=1S/C21H26FN5O3/c1-15(28)26-8-10-27(11-9-26)19-7-6-18(24-13-19)5-4-17-3-2-16(12-20(17)22)14-30-21(29)25-23/h2-3,6-7,12-13H,4-5,8-11,14,23H2,1H3,(H,25,29)
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R-Tech Ueno, Ltd.

US Patent


Assay Description
The compounds of the present invention obtained in Production Examples were examined for the inhibitory effect on human and rat VAP-1 enzyme (SSAO) b...


US Patent US9603833 (2017)


Article DOI: 10.1021/jm950576c
BindingDB Entry DOI: 10.7270/Q2W37ZCW
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/a25



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)


BindingDB Entry DOI: 10.7270/Q2KP845Q
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/a25



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)


BindingDB Entry DOI: 10.7270/Q2KP845Q
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/a25



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)


BindingDB Entry DOI: 10.7270/Q2KP845Q
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/a25



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)


BindingDB Entry DOI: 10.7270/Q2KP845Q
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)
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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US Patent
n/an/a 1n/an/an/an/an/a25



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)


BindingDB Entry DOI: 10.7270/Q2KP845Q
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
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


(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=1/C12H13N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-6,12-13H,7-9H2/t12-/s2
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n/an/a 1n/an/an/an/an/an/a



A* STAR

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
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=1/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

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))
BDBM50367064
PNG
(CHEMBL1204338)
Show SMILES CN1C(Cc2ccccc2N=C1C)c1ccccc1
Show InChI InChI=1/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 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


(Rattus norvegicus (rat))
BDBM50367064
PNG
(CHEMBL1204338)
Show SMILES CN1C(Cc2ccccc2N=C1C)c1ccccc1
Show InChI InChI=1/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))
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 1n/an/an/an/an/an/a



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
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Ligand-Target Pair
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