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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 137.1
BDBM50161135
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Wt: 136.1
BDBM50161137
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Wt: 191.2
BDBM50161139
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Wt: 219.3
BDBM50161140
Wt: 259.3
BDBM50161141
Wt: 150.2
BDBM50161142
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Wt: 196.2
BDBM50161143
Wt: 180.2
BDBM50161146
Wt: 163.2
BDBM50161147
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Wt: 205.2
BDBM50161148
Wt: 165.2
BDBM50161152
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Wt: 151.2
BDBM50161132
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Wt: 219.3
BDBM50161133
Wt: 208.3
BDBM50161134
Wt: 197.2
BDBM50246766
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Displayed 1 to 15 (of 18 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 91 hits in this display   
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] B


(Homo sapiens (Human))
BDBM50246766
PNG
(CHEMBL489079 | Mofegiline | US9302986, Mofegiline)
Show SMILES NC\C(CCc1ccc(F)cc1)=C\F
Show InChI InChI=1S/C11H13F2N/c12-7-10(8-14)2-1-9-3-5-11(13)6-4-9/h3-7H,1-2,8,14H2/b10-7+
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28n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in Pichia pastoris by kinetic assay


J Med Chem 51: 8019-26 (2008)


Article DOI: 10.1021/jm8011867
BindingDB Entry DOI: 10.7270/Q2542NGF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50246766
PNG
(CHEMBL489079 | Mofegiline | US9302986, Mofegiline)
Show SMILES NC\C(CCc1ccc(F)cc1)=C\F
Show InChI InChI=1S/C11H13F2N/c12-7-10(8-14)2-1-9-3-5-11(13)6-4-9/h3-7H,1-2,8,14H2/b10-7+
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1.10E+3n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA expressed in Pichia pastoris by kinetic assay


J Med Chem 51: 8019-26 (2008)


Article DOI: 10.1021/jm8011867
BindingDB Entry DOI: 10.7270/Q2542NGF
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM50246766
PNG
(CHEMBL489079 | Mofegiline | US9302986, Mofegiline)
Show SMILES NC\C(CCc1ccc(F)cc1)=C\F
Show InChI InChI=1S/C11H13F2N/c12-7-10(8-14)2-1-9-3-5-11(13)6-4-9/h3-7H,1-2,8,14H2/b10-7+
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1.61E+3n/an/an/an/an/an/an/an/a



Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SSAO/VAP1 measuring H2O2 production by Kitz and Wilson plot analysis


Bioorg Med Chem Lett 22: 3935-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.111
BindingDB Entry DOI: 10.7270/Q2SQ91D6
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50246766
PNG
(CHEMBL489079 | Mofegiline | US9302986, Mofegiline)
Show SMILES NC\C(CCc1ccc(F)cc1)=C\F
Show InChI InChI=1S/C11H13F2N/c12-7-10(8-14)2-1-9-3-5-11(13)6-4-9/h3-7H,1-2,8,14H2/b10-7+
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n/an/a 3.60n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of rat membrane MAOB


J Med Chem 51: 8019-26 (2008)


Article DOI: 10.1021/jm8011867
BindingDB Entry DOI: 10.7270/Q2542NGF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50246766
PNG
(CHEMBL489079 | Mofegiline | US9302986, Mofegiline)
Show SMILES NC\C(CCc1ccc(F)cc1)=C\F
Show InChI InChI=1S/C11H13F2N/c12-7-10(8-14)2-1-9-3-5-11(13)6-4-9/h3-7H,1-2,8,14H2/b10-7+
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n/an/a 5n/an/an/an/a7.437



BOEHRINGER INGELHEIM INTERNATIONAL GMBH

US Patent


Assay Description
Recombinant human MAO-B (0.06 mg/mL; Sigma Aldrich) was used as source of MAO-B enzyme activities. The assay was performed in a similar way as for hu...


US Patent US9302986 (2016)


BindingDB Entry DOI: 10.7270/Q2ZC81QZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50246766
PNG
(CHEMBL489079 | Mofegiline | US9302986, Mofegiline)
Show SMILES NC\C(CCc1ccc(F)cc1)=C\F
Show InChI InChI=1S/C11H13F2N/c12-7-10(8-14)2-1-9-3-5-11(13)6-4-9/h3-7H,1-2,8,14H2/b10-7+
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n/an/a 10n/an/an/an/an/an/a



Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B assessed as H2O2 production by Resorufin/Amplex Red assay


Bioorg Med Chem Lett 22: 3935-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.111
BindingDB Entry DOI: 10.7270/Q2SQ91D6
More data for this
Ligand-Target Pair
Amine oxidase, copper containing


(Mus musculus)
BDBM50246766
PNG
(CHEMBL489079 | Mofegiline | US9302986, Mofegiline)
Show SMILES NC\C(CCc1ccc(F)cc1)=C\F
Show InChI InChI=1S/C11H13F2N/c12-7-10(8-14)2-1-9-3-5-11(13)6-4-9/h3-7H,1-2,8,14H2/b10-7+
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n/an/a 10n/an/an/an/an/an/a



Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of SSAO/VAP1 in mouse adipocytes measuring H2O2 production by Resorufin/Amplex Red assay


Bioorg Med Chem Lett 22: 3935-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.111
BindingDB Entry DOI: 10.7270/Q2SQ91D6
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM50246766
PNG
(CHEMBL489079 | Mofegiline | US9302986, Mofegiline)
Show SMILES NC\C(CCc1ccc(F)cc1)=C\F
Show InChI InChI=1S/C11H13F2N/c12-7-10(8-14)2-1-9-3-5-11(13)6-4-9/h3-7H,1-2,8,14H2/b10-7+
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n/an/a 20n/an/an/an/an/an/a



Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SSAO/VAP1 assessed as H2O2 production by Resorufin/Amplex Red assay


Bioorg Med Chem Lett 22: 3935-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.111
BindingDB Entry DOI: 10.7270/Q2SQ91D6
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM50161134
PNG
(4-(aminomethyl)-N-ethyl-5-[ethyl(methyl)-lambda~5~...)
Show SMILES CCNc1cncc(N(C)CC)c1CN
Show InChI InChI=1S/C11H20N4/c1-4-14-10-7-13-8-11(9(10)6-12)15(3)5-2/h7-8,14H,4-6,12H2,1-3H3
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n/an/a 20n/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Inhibition of benzylamine binding to Benzylamine oxidase of porcine serum


J Med Chem 48: 664-70 (2005)


Article DOI: 10.1021/jm0408316
BindingDB Entry DOI: 10.7270/Q2GF0V9T
More data for this
Ligand-Target Pair
Diamine oxidase (DAO)


(Homo sapiens)
BDBM50161146
PNG
(4-(aminomethyl)-5-(dimethyl-lambda~5~-azanyl)-N-me...)
Show SMILES CNc1cncc(N(C)C)c1CN
Show InChI InChI=1S/C9H16N4/c1-11-8-5-12-6-9(13(2)3)7(8)4-10/h5-6,11H,4,10H2,1-3H3
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n/an/a 61n/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Inhibition of putrescine binding to against Diamine oxidase of porcine kidney


J Med Chem 48: 664-70 (2005)


Article DOI: 10.1021/jm0408316
BindingDB Entry DOI: 10.7270/Q2GF0V9T
More data for this
Ligand-Target Pair
Diamine oxidase (DAO)


(Homo sapiens)
BDBM50161135
PNG
(4-(aminomethyl)-N-methylpyridin-3-amine dihydrochl...)
Show SMILES CNc1cnccc1CN
Show InChI InChI=1S/C7H11N3/c1-9-7-5-10-3-2-6(7)4-8/h2-3,5,9H,4,8H2,1H3
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n/an/a 160n/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Inhibition of putrescine binding to against Diamine oxidase of porcine kidney


J Med Chem 48: 664-70 (2005)


Article DOI: 10.1021/jm0408316
BindingDB Entry DOI: 10.7270/Q2GF0V9T
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM50161143
PNG
((3,5-diethoxypyridin-4-yl)methylamine dihydrochlor...)
Show SMILES CCOc1cncc(OCC)c1CN
Show InChI InChI=1S/C10H16N2O2/c1-3-13-9-6-12-7-10(14-4-2)8(9)5-11/h6-7H,3-5,11H2,1-2H3
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n/an/a 170n/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Inhibition of benzylamine binding to Benzylamine oxidase of porcine serum


J Med Chem 48: 664-70 (2005)


Article DOI: 10.1021/jm0408316
BindingDB Entry DOI: 10.7270/Q2GF0V9T
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM50161146
PNG
(4-(aminomethyl)-5-(dimethyl-lambda~5~-azanyl)-N-me...)
Show SMILES CNc1cncc(N(C)C)c1CN
Show InChI InChI=1S/C9H16N4/c1-11-8-5-12-6-9(13(2)3)7(8)4-10/h5-6,11H,4,10H2,1-3H3
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n/an/a 440n/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Inhibition of benzylamine binding to Benzylamine oxidase of porcine serum


J Med Chem 48: 664-70 (2005)


Article DOI: 10.1021/jm0408316
BindingDB Entry DOI: 10.7270/Q2GF0V9T
More data for this
Ligand-Target Pair
Diamine oxidase (DAO)


(Homo sapiens)
BDBM50161132
PNG
(4-(aminomethyl)-N-ethylpyridin-3-amine dihydrochlo...)
Show SMILES CCNc1cnccc1CN
Show InChI InChI=1S/C8H13N3/c1-2-11-8-6-10-4-3-7(8)5-9/h3-4,6,11H,2,5,9H2,1H3
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n/an/a 500n/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Inhibition of putrescine binding to against Diamine oxidase of porcine kidney


J Med Chem 48: 664-70 (2005)


Article DOI: 10.1021/jm0408316
BindingDB Entry DOI: 10.7270/Q2GF0V9T
More data for this
Ligand-Target Pair
Amine oxidase


(Pisum sativum)
BDBM50161135
PNG
(4-(aminomethyl)-N-methylpyridin-3-amine dihydrochl...)
Show SMILES CNc1cnccc1CN
Show InChI InChI=1S/C7H11N3/c1-9-7-5-10-3-2-6(7)4-8/h2-3,5,9H,4,8H2,1H3
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n/an/a 710n/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Inhibition of putrescine binding to pea seedling amine oxidase


J Med Chem 48: 664-70 (2005)


Article DOI: 10.1021/jm0408316
BindingDB Entry DOI: 10.7270/Q2GF0V9T
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50246766
PNG
(CHEMBL489079 | Mofegiline | US9302986, Mofegiline)
Show SMILES NC\C(CCc1ccc(F)cc1)=C\F
Show InChI InChI=1S/C11H13F2N/c12-7-10(8-14)2-1-9-3-5-11(13)6-4-9/h3-7H,1-2,8,14H2/b10-7+
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n/an/a 1.78E+3n/an/an/an/an/an/a



Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A assessed as H2O2 production by Resorufin/Amplex Red assay


Bioorg Med Chem Lett 22: 3935-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.111
BindingDB Entry DOI: 10.7270/Q2SQ91D6
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM50161132
PNG
(4-(aminomethyl)-N-ethylpyridin-3-amine dihydrochlo...)
Show SMILES CCNc1cnccc1CN
Show InChI InChI=1S/C8H13N3/c1-2-11-8-6-10-4-3-7(8)5-9/h3-4,6,11H,2,5,9H2,1H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Inhibition of benzylamine binding to Benzylamine oxidase of porcine serum


J Med Chem 48: 664-70 (2005)


Article DOI: 10.1021/jm0408316
BindingDB Entry DOI: 10.7270/Q2GF0V9T
More data for this
Ligand-Target Pair
Diamine oxidase (DAO)


(Homo sapiens)
BDBM50161134
PNG
(4-(aminomethyl)-N-ethyl-5-[ethyl(methyl)-lambda~5~...)
Show SMILES CCNc1cncc(N(C)CC)c1CN
Show InChI InChI=1S/C11H20N4/c1-4-14-10-7-13-8-11(9(10)6-12)15(3)5-2/h7-8,14H,4-6,12H2,1-3H3
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n/an/a 2.50E+3n/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Inhibition of putrescine binding to against Diamine oxidase of porcine kidney


J Med Chem 48: 664-70 (2005)


Article DOI: 10.1021/jm0408316
BindingDB Entry DOI: 10.7270/Q2GF0V9T
More data for this
Ligand-Target Pair
Diamine oxidase (DAO)


(Homo sapiens)
BDBM50161147
PNG
(4-(aminomethyl)-N-cyclopropylpyridin-3-amine dihyd...)
Show SMILES NCc1ccncc1NC1CC1
Show InChI InChI=1S/C9H13N3/c10-5-7-3-4-11-6-9(7)12-8-1-2-8/h3-4,6,8,12H,1-2,5,10H2
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n/an/a 5.00E+3n/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Inhibition of putrescine binding to against Diamine oxidase of porcine kidney


J Med Chem 48: 664-70 (2005)


Article DOI: 10.1021/jm0408316
BindingDB Entry DOI: 10.7270/Q2GF0V9T
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM50161140
PNG
(4-(aminomethyl)-N-(cyclohexylmethyl)pyridin-3-amin...)
Show SMILES NCc1ccncc1NCC1CCCCC1
Show InChI InChI=1S/C13H21N3/c14-8-12-6-7-15-10-13(12)16-9-11-4-2-1-3-5-11/h6-7,10-11,16H,1-5,8-9,14H2
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n/an/a 5.60E+3n/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Inhibition of benzylamine binding to Benzylamine oxidase of porcine serum


J Med Chem 48: 664-70 (2005)


Article DOI: 10.1021/jm0408316
BindingDB Entry DOI: 10.7270/Q2GF0V9T
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM50246766
PNG
(CHEMBL489079 | Mofegiline | US9302986, Mofegiline)
Show SMILES NC\C(CCc1ccc(F)cc1)=C\F
Show InChI InChI=1S/C11H13F2N/c12-7-10(8-14)2-1-9-3-5-11(13)6-4-9/h3-7H,1-2,8,14H2/b10-7+
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n/an/a 6.00E+3n/an/an/an/a7.4n/a



BOEHRINGER INGELHEIM INTERNATIONAL GMBH

US Patent


Assay Description
Abdominal fat from BALB/c mice, Wistar or Sprague Dawley rats, which are tissues enriched with SSAO/VAP-1-were surgically removed. For every gram of ...


US Patent US9302986 (2016)


BindingDB Entry DOI: 10.7270/Q2ZC81QZ
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM50161135
PNG
(4-(aminomethyl)-N-methylpyridin-3-amine dihydrochl...)
Show SMILES CNc1cnccc1CN
Show InChI InChI=1S/C7H11N3/c1-9-7-5-10-3-2-6(7)4-8/h2-3,5,9H,4,8H2,1H3
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n/an/a 8.00E+3n/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Inhibition of benzylamine binding to Benzylamine oxidase of porcine serum


J Med Chem 48: 664-70 (2005)


Article DOI: 10.1021/jm0408316
BindingDB Entry DOI: 10.7270/Q2GF0V9T
More data for this
Ligand-Target Pair
Amine oxidase


(Pisum sativum)
BDBM50161132
PNG
(4-(aminomethyl)-N-ethylpyridin-3-amine dihydrochlo...)
Show SMILES CCNc1cnccc1CN
Show InChI InChI=1S/C8H13N3/c1-2-11-8-6-10-4-3-7(8)5-9/h3-4,6,11H,2,5,9H2,1H3
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n/an/a 9.30E+3n/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Inhibition of putrescine binding to Pea seedling amine oxidase


J Med Chem 48: 664-70 (2005)


Article DOI: 10.1021/jm0408316
BindingDB Entry DOI: 10.7270/Q2GF0V9T
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (human))
BDBM50246766
PNG
(CHEMBL489079 | Mofegiline | US9302986, Mofegiline)
Show SMILES NC\C(CCc1ccc(F)cc1)=C\F
Show InChI InChI=1S/C11H13F2N/c12-7-10(8-14)2-1-9-3-5-11(13)6-4-9/h3-7H,1-2,8,14H2/b10-7+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pharmaxis Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human DAO measuring H2O2 production by Resorufin/Amplex Red assay


Bioorg Med Chem Lett 22: 3935-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.111
BindingDB Entry DOI: 10.7270/Q2SQ91D6
More data for this
Ligand-Target Pair
Diamine oxidase (DAO)


(Homo sapiens)
BDBM50246766
PNG
(CHEMBL489079 | Mofegiline | US9302986, Mofegiline)
Show SMILES NC\C(CCc1ccc(F)cc1)=C\F
Show InChI InChI=1S/C11H13F2N/c12-7-10(8-14)2-1-9-3-5-11(13)6-4-9/h3-7H,1-2,8,14H2/b10-7+
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n/an/a>1.00E+4n/an/an/an/a7.437



BOEHRINGER INGELHEIM INTERNATIONAL GMBH

US Patent


Assay Description
Recombinant human DAO (2.4 μg/mL) was used as source of DAO enzyme activities. The assay was performed as described in the method for human SSAO/V...


US Patent US9302986 (2016)


BindingDB Entry DOI: 10.7270/Q2ZC81QZ
More data for this
Ligand-Target Pair
Diamine oxidase (DAO)


(Homo sapiens)
BDBM50161152
PNG
(4-(aminomethyl)-N-isopropylpyridin-3-amine dihydro...)
Show SMILES CC(C)Nc1cnccc1CN
Show InChI InChI=1S/C9H15N3/c1-7(2)12-9-6-11-4-3-8(9)5-10/h3-4,6-7,12H,5,10H2,1-2H3
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n/an/a 1.60E+4n/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Inhibition of putrescine binding to Diamine oxidase of porcine kidney


J Med Chem 48: 664-70 (2005)


Article DOI: 10.1021/jm0408316
BindingDB Entry DOI: 10.7270/Q2GF0V9T
More data for this
Ligand-Target Pair
Diamine oxidase (DAO)


(Homo sapiens)
BDBM50161148
PNG
(4-(aminomethyl)-N-cyclohexylpyridin-3-amine dihydr...)
Show SMILES NCc1ccncc1NC1CCCCC1
Show InChI InChI=1S/C12H19N3/c13-8-10-6-7-14-9-12(10)15-11-4-2-1-3-5-11/h6-7,9,11,15H,1-5,8,13H2
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n/an/a 1.60E+4n/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Inhibition of putrescine binding to against Diamine oxidase of porcine kidney


J Med Chem 48: 664-70 (2005)


Article DOI: 10.1021/jm0408316
BindingDB Entry DOI: 10.7270/Q2GF0V9T
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM50161139
PNG
(4-(aminomethyl)-N-cyclopentylpyridin-3-amine dihyd...)
Show SMILES NCc1ccncc1NC1CCCC1
Show InChI InChI=1S/C11H17N3/c12-7-9-5-6-13-8-11(9)14-10-3-1-2-4-10/h5-6,8,10,14H,1-4,7,12H2
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n/an/a 1.60E+4n/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Inhibition of benzylamine binding to Benzylamine oxidase of porcine serum


J Med Chem 48: 664-70 (2005)


Article DOI: 10.1021/jm0408316
BindingDB Entry DOI: 10.7270/Q2GF0V9T
More data for this
Ligand-Target Pair
Amine oxidase


(Pisum sativum)
BDBM50161146
PNG
(4-(aminomethyl)-5-(dimethyl-lambda~5~-azanyl)-N-me...)
Show SMILES CNc1cncc(N(C)C)c1CN
Show InChI InChI=1S/C9H16N4/c1-11-8-5-12-6-9(13(2)3)7(8)4-10/h5-6,11H,4,10H2,1-3H3
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n/an/a 1.70E+4n/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Inhibition of putrescine binding to Pea seedling amine oxidase


J Med Chem 48: 664-70 (2005)


Article DOI: 10.1021/jm0408316
BindingDB Entry DOI: 10.7270/Q2GF0V9T
More data for this
Ligand-Target Pair
Diamine oxidase (DAO)


(Homo sapiens)
BDBM50161133
PNG
(4-(aminomethyl)-N-cycloheptylpyridin-3-amine dihyd...)
Show SMILES NCc1ccncc1NC1CCCCCC1
Show InChI InChI=1S/C13H21N3/c14-9-11-7-8-15-10-13(11)16-12-5-3-1-2-4-6-12/h7-8,10,12,16H,1-6,9,14H2
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n/an/a 1.80E+4n/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Inhibition of putrescine binding to against Diamine oxidase of porcine kidney


J Med Chem 48: 664-70 (2005)


Article DOI: 10.1021/jm0408316
BindingDB Entry DOI: 10.7270/Q2GF0V9T
More data for this
Ligand-Target Pair
Diamine oxidase (DAO)


(Homo sapiens)
BDBM50161139
PNG
(4-(aminomethyl)-N-cyclopentylpyridin-3-amine dihyd...)
Show SMILES NCc1ccncc1NC1CCCC1
Show InChI InChI=1S/C11H17N3/c12-7-9-5-6-13-8-11(9)14-10-3-1-2-4-10/h5-6,8,10,14H,1-4,7,12H2
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n/an/a 1.90E+4n/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Inhibition of putrescine binding to against Diamine oxidase of porcine kidney


J Med Chem 48: 664-70 (2005)


Article DOI: 10.1021/jm0408316
BindingDB Entry DOI: 10.7270/Q2GF0V9T
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM50246766
PNG
(CHEMBL489079 | Mofegiline | US9302986, Mofegiline)
Show SMILES NC\C(CCc1ccc(F)cc1)=C\F
Show InChI InChI=1S/C11H13F2N/c12-7-10(8-14)2-1-9-3-5-11(13)6-4-9/h3-7H,1-2,8,14H2/b10-7+
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n/an/a 1.90E+4n/an/an/an/a7.4n/a



BOEHRINGER INGELHEIM INTERNATIONAL GMBH

US Patent


Assay Description
Briefly, HMEC cell expressing human SSAO/VAP-1 were grown in several 10 cm petri dishes, once the cells reached 100% confluency, cells were harvested...


US Patent US9302986 (2016)


BindingDB Entry DOI: 10.7270/Q2ZC81QZ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50161146
PNG
(4-(aminomethyl)-5-(dimethyl-lambda~5~-azanyl)-N-me...)
Show SMILES CNc1cncc(N(C)C)c1CN
Show InChI InChI=1S/C9H16N4/c1-11-8-5-12-6-9(13(2)3)7(8)4-10/h5-6,11H,4,10H2,1-3H3
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n/an/a 4.40E+4n/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Inhibitory concentration for rat liver Monoamine oxidase A using 5-hydroxytryptamine


J Med Chem 48: 664-70 (2005)


Article DOI: 10.1021/jm0408316
BindingDB Entry DOI: 10.7270/Q2GF0V9T
More data for this
Ligand-Target Pair
Diamine oxidase (DAO)


(Homo sapiens)
BDBM50161140
PNG
(4-(aminomethyl)-N-(cyclohexylmethyl)pyridin-3-amin...)
Show SMILES NCc1ccncc1NCC1CCCCC1
Show InChI InChI=1S/C13H21N3/c14-8-12-6-7-15-10-13(12)16-9-11-4-2-1-3-5-11/h6-7,10-11,16H,1-5,8-9,14H2
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n/an/a 5.00E+4n/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Inhibition of putrescine binding to against Diamine oxidase of porcine kidney


J Med Chem 48: 664-70 (2005)


Article DOI: 10.1021/jm0408316
BindingDB Entry DOI: 10.7270/Q2GF0V9T
More data for this
Ligand-Target Pair
Amine oxidase, copper containing


(Pichia angusta)
BDBM50161135
PNG
(4-(aminomethyl)-N-methylpyridin-3-amine dihydrochl...)
Show SMILES CNc1cnccc1CN
Show InChI InChI=1S/C7H11N3/c1-9-7-5-10-3-2-6(7)4-8/h2-3,5,9H,4,8H2,1H3
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n/an/a 5.30E+4n/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Inhibition of phenylethylamine binding to Hansenula polymorpha amine oxidase


J Med Chem 48: 664-70 (2005)


Article DOI: 10.1021/jm0408316
BindingDB Entry DOI: 10.7270/Q2GF0V9T
More data for this
Ligand-Target Pair
Amine oxidase


(Pisum sativum)
BDBM50161134
PNG
(4-(aminomethyl)-N-ethyl-5-[ethyl(methyl)-lambda~5~...)
Show SMILES CCNc1cncc(N(C)CC)c1CN
Show InChI InChI=1S/C11H20N4/c1-4-14-10-7-13-8-11(9(10)6-12)15(3)5-2/h7-8,14H,4-6,12H2,1-3H3
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n/an/a 5.50E+4n/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Inhibition of putrescine binding to Pea seedling amine oxidase


J Med Chem 48: 664-70 (2005)


Article DOI: 10.1021/jm0408316
BindingDB Entry DOI: 10.7270/Q2GF0V9T
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM50161148
PNG
(4-(aminomethyl)-N-cyclohexylpyridin-3-amine dihydr...)
Show SMILES NCc1ccncc1NC1CCCCC1
Show InChI InChI=1S/C12H19N3/c13-8-10-6-7-14-9-12(10)15-11-4-2-1-3-5-11/h6-7,9,11,15H,1-5,8,13H2
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n/an/a 5.60E+4n/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Inhibition of benzylamine binding to Benzylamine oxidase of porcine serum


J Med Chem 48: 664-70 (2005)


Article DOI: 10.1021/jm0408316
BindingDB Entry DOI: 10.7270/Q2GF0V9T
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50161134
PNG
(4-(aminomethyl)-N-ethyl-5-[ethyl(methyl)-lambda~5~...)
Show SMILES CCNc1cncc(N(C)CC)c1CN
Show InChI InChI=1S/C11H20N4/c1-4-14-10-7-13-8-11(9(10)6-12)15(3)5-2/h7-8,14H,4-6,12H2,1-3H3
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n/an/a 6.30E+4n/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Inhibitory concentration for rat liver Monoamine oxidase A using 5-hydroxytryptamine


J Med Chem 48: 664-70 (2005)


Article DOI: 10.1021/jm0408316
BindingDB Entry DOI: 10.7270/Q2GF0V9T
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50161140
PNG
(4-(aminomethyl)-N-(cyclohexylmethyl)pyridin-3-amin...)
Show SMILES NCc1ccncc1NCC1CCCCC1
Show InChI InChI=1S/C13H21N3/c14-8-12-6-7-15-10-13(12)16-9-11-4-2-1-3-5-11/h6-7,10-11,16H,1-5,8-9,14H2
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n/an/a 7.00E+4n/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Inhibitory concentration for rat liver Monoamine oxidase B using beta-phenylethylamine


J Med Chem 48: 664-70 (2005)


Article DOI: 10.1021/jm0408316
BindingDB Entry DOI: 10.7270/Q2GF0V9T
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM50161133
PNG
(4-(aminomethyl)-N-cycloheptylpyridin-3-amine dihyd...)
Show SMILES NCc1ccncc1NC1CCCCCC1
Show InChI InChI=1S/C13H21N3/c14-9-11-7-8-15-10-13(11)16-12-5-3-1-2-4-6-12/h7-8,10,12,16H,1-6,9,14H2
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n/an/a 7.90E+4n/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Inhibition of benzylamine binding to Benzylamine oxidase of porcine serum


J Med Chem 48: 664-70 (2005)


Article DOI: 10.1021/jm0408316
BindingDB Entry DOI: 10.7270/Q2GF0V9T
More data for this
Ligand-Target Pair
Amine oxidase, copper containing


(Pichia angusta)
BDBM50161132
PNG
(4-(aminomethyl)-N-ethylpyridin-3-amine dihydrochlo...)
Show SMILES CCNc1cnccc1CN
Show InChI InChI=1S/C8H13N3/c1-2-11-8-6-10-4-3-7(8)5-9/h3-4,6,11H,2,5,9H2,1H3
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n/an/a 8.70E+4n/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Inhibition of beta-phenylethylamine binding to Hansenula polymorpha amine oxidase


J Med Chem 48: 664-70 (2005)


Article DOI: 10.1021/jm0408316
BindingDB Entry DOI: 10.7270/Q2GF0V9T
More data for this
Ligand-Target Pair
Amine oxidase


(Pisum sativum)
BDBM50161140
PNG
(4-(aminomethyl)-N-(cyclohexylmethyl)pyridin-3-amin...)
Show SMILES NCc1ccncc1NCC1CCCCC1
Show InChI InChI=1S/C13H21N3/c14-8-12-6-7-15-10-13(12)16-9-11-4-2-1-3-5-11/h6-7,10-11,16H,1-5,8-9,14H2
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n/an/a 8.90E+4n/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Inhibition of putrescine binding to Pea seedling amine oxidase


J Med Chem 48: 664-70 (2005)


Article DOI: 10.1021/jm0408316
BindingDB Entry DOI: 10.7270/Q2GF0V9T
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50161147
PNG
(4-(aminomethyl)-N-cyclopropylpyridin-3-amine dihyd...)
Show SMILES NCc1ccncc1NC1CC1
Show InChI InChI=1S/C9H13N3/c10-5-7-3-4-11-6-9(7)12-8-1-2-8/h3-4,6,8,12H,1-2,5,10H2
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n/an/a 9.00E+4n/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Inhibitory concentration for rat liver Monoamine oxidase B using beta-phenylethylamine


J Med Chem 48: 664-70 (2005)


Article DOI: 10.1021/jm0408316
BindingDB Entry DOI: 10.7270/Q2GF0V9T
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50161140
PNG
(4-(aminomethyl)-N-(cyclohexylmethyl)pyridin-3-amin...)
Show SMILES NCc1ccncc1NCC1CCCCC1
Show InChI InChI=1S/C13H21N3/c14-8-12-6-7-15-10-13(12)16-9-11-4-2-1-3-5-11/h6-7,10-11,16H,1-5,8-9,14H2
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n/an/a 9.50E+4n/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Inhibitory concentration for rat liver Monoamine oxidase A using 5-hydroxytryptamine


J Med Chem 48: 664-70 (2005)


Article DOI: 10.1021/jm0408316
BindingDB Entry DOI: 10.7270/Q2GF0V9T
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50161148
PNG
(4-(aminomethyl)-N-cyclohexylpyridin-3-amine dihydr...)
Show SMILES NCc1ccncc1NC1CCCCC1
Show InChI InChI=1S/C12H19N3/c13-8-10-6-7-14-9-12(10)15-11-4-2-1-3-5-11/h6-7,9,11,15H,1-5,8,13H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Inhibitory concentration for rat liver Monoamine oxidase B using beta-phenylethylamine


J Med Chem 48: 664-70 (2005)


Article DOI: 10.1021/jm0408316
BindingDB Entry DOI: 10.7270/Q2GF0V9T
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50161139
PNG
(4-(aminomethyl)-N-cyclopentylpyridin-3-amine dihyd...)
Show SMILES NCc1ccncc1NC1CCCC1
Show InChI InChI=1S/C11H17N3/c12-7-9-5-6-13-8-11(9)14-10-3-1-2-4-10/h5-6,8,10,14H,1-4,7,12H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Inhibitory concentration for rat liver Monoamine oxidase A using 5-hydroxytryptamine


J Med Chem 48: 664-70 (2005)


Article DOI: 10.1021/jm0408316
BindingDB Entry DOI: 10.7270/Q2GF0V9T
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50161141
PNG
(4-(aminomethyl)-N,N-dicyclopentylpyridin-3-amine d...)
Show SMILES NCc1ccncc1N(C1CCCC1)C1CCCC1
Show InChI InChI=1S/C16H25N3/c17-11-13-9-10-18-12-16(13)19(14-5-1-2-6-14)15-7-3-4-8-15/h9-10,12,14-15H,1-8,11,17H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Inhibitory concentration for rat liver Monoamine oxidase A using 5-hydroxytryptamine


J Med Chem 48: 664-70 (2005)


Article DOI: 10.1021/jm0408316
BindingDB Entry DOI: 10.7270/Q2GF0V9T
More data for this
Ligand-Target Pair
Amine oxidase, copper containing


(Pichia angusta)
BDBM50161146
PNG
(4-(aminomethyl)-5-(dimethyl-lambda~5~-azanyl)-N-me...)
Show SMILES CNc1cncc(N(C)C)c1CN
Show InChI InChI=1S/C9H16N4/c1-11-8-5-12-6-9(13(2)3)7(8)4-10/h5-6,11H,4,10H2,1-3H3
PDB
MMDB

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B.MOAD
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n/an/a 1.00E+5n/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Inhibition of beta-phenylethylamine binding to Hansenula polymorpha amine oxidase


J Med Chem 48: 664-70 (2005)


Article DOI: 10.1021/jm0408316
BindingDB Entry DOI: 10.7270/Q2GF0V9T
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50161142
PNG
(CHEMBL557976 | N-[2-(aminomethyl)phenyl]-N-ethylam...)
Show SMILES CCNc1ccccc1CN
Show InChI InChI=1S/C9H14N2/c1-2-11-9-6-4-3-5-8(9)7-10/h3-6,11H,2,7,10H2,1H3
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KEGG

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B.MOAD
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Inhibitory concentration for rat liver Monoamine oxidase B using beta-phenylethylamine


J Med Chem 48: 664-70 (2005)


Article DOI: 10.1021/jm0408316
BindingDB Entry DOI: 10.7270/Q2GF0V9T
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM50161142
PNG
(CHEMBL557976 | N-[2-(aminomethyl)phenyl]-N-ethylam...)
Show SMILES CCNc1ccccc1CN
Show InChI InChI=1S/C9H14N2/c1-2-11-9-6-4-3-5-8(9)7-10/h3-6,11H,2,7,10H2,1H3
PDB
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KEGG

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B.MOAD
DrugBank
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PC cid
PC sid
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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Inhibition of benzylamine binding to Benzylamine oxidase of porcine serum


J Med Chem 48: 664-70 (2005)


Article DOI: 10.1021/jm0408316
BindingDB Entry DOI: 10.7270/Q2GF0V9T
More data for this
Ligand-Target Pair
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