Found 56 hits Enz. Inhib. hit(s) with Target = 'Amine oxidase [flavin-containing] B' and Ligand = 'BDBM19187' Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM19187
((2S)-2-[({4-[(3-fluorophenyl)methoxy]phenyl}methyl...)Show SMILES [H][C@@](C)(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O |r| Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1 | PDB
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| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NTZ Lab Ltd.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect cells using p-tyramine as substrate preincubated for 15 m... |
Eur J Med Chem 162: 793-809 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.009 BindingDB Entry DOI: 10.7270/Q26Q21ND |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM19187
((2S)-2-[({4-[(3-fluorophenyl)methoxy]phenyl}methyl...)Show SMILES [H][C@@](C)(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O |r| Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1 | PDB
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| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NTZ Lab Ltd.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect cells assessed as decrease in H2O2 production using p-tyr... |
Eur J Med Chem 179: 404-422 (2019)
Article DOI: 10.1016/j.ejmech.2019.06.041 BindingDB Entry DOI: 10.7270/Q2VT1WFM |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM19187
((2S)-2-[({4-[(3-fluorophenyl)methoxy]phenyl}methyl...)Show SMILES [H][C@@](C)(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O |r| Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1 | PDB
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| 5.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dart NeuroScience, LLC
Curated by ChEMBL
| Assay Description Inhibition of human recombinant soluble MAO-B expressed in Pichia pastoris incubated for 30 mins prior to substrate addition measured after 60 mins b... |
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 | 3D Structure (crystal) |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM19187
((2S)-2-[({4-[(3-fluorophenyl)methoxy]phenyl}methyl...)Show SMILES [H][C@@](C)(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O |r| Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1 | PDB
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| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dart NeuroScience, LLC
Curated by ChEMBL
| Assay Description Inhibition of human recombinant microsomal MAO-B expressed in Pichia pastoris incubated for 30 mins prior to substrate addition measured after 60 min... |
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 | 3D Structure (crystal) |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM19187
((2S)-2-[({4-[(3-fluorophenyl)methoxy]phenyl}methyl...)Show SMILES [H][C@@](C)(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O |r| Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1 | PDB
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| 450 | -36.2 | n/a | n/a | n/a | n/a | n/a | 7.5 | 25 |
University of Pavia
| Assay Description MAO B activities were determined spectrophotometrically at 250 nm using benzylamine as substrate. Competitive Ki values were determined by measuring ... |
J Med Chem 50: 5848-5852 (2007)
Article DOI: 10.1021/jm070677y BindingDB Entry DOI: 10.7270/Q2DN43B4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM19187
((2S)-2-[({4-[(3-fluorophenyl)methoxy]phenyl}methyl...)Show SMILES [H][C@@](C)(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O |r| Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1 | PDB
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| n/a | n/a | 5.10 | n/a | n/a | n/a | n/a | n/a | n/a |
NTZ Lab Ltd.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect cells assessed as decrease in H2O2 production using p-tyr... |
Eur J Med Chem 179: 404-422 (2019)
Article DOI: 10.1016/j.ejmech.2019.06.041 BindingDB Entry DOI: 10.7270/Q2VT1WFM |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM19187
((2S)-2-[({4-[(3-fluorophenyl)methoxy]phenyl}methyl...)Show SMILES [H][C@@](C)(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O |r| Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1 | PDB
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| n/a | n/a | 5.10 | n/a | n/a | n/a | n/a | n/a | n/a |
NTZ Lab Ltd.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect cells using p-tyramine as substrate preincubated for 15 m... |
Eur J Med Chem 162: 793-809 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.009 BindingDB Entry DOI: 10.7270/Q26Q21ND |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM19187
((2S)-2-[({4-[(3-fluorophenyl)methoxy]phenyl}methyl...)Show SMILES [H][C@@](C)(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O |r| Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1 | PDB
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| n/a | n/a | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a |
NTZ Lab Ltd.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect cells assessed as decrease in H2O2 production using p-tyr... |
Eur J Med Chem 179: 404-422 (2019)
Article DOI: 10.1016/j.ejmech.2019.06.041 BindingDB Entry DOI: 10.7270/Q2VT1WFM |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM19187
((2S)-2-[({4-[(3-fluorophenyl)methoxy]phenyl}methyl...)Show SMILES [H][C@@](C)(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O |r| Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1 | PDB
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| n/a | n/a | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of human 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 | 3D Structure (crystal) |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM19187
((2S)-2-[({4-[(3-fluorophenyl)methoxy]phenyl}methyl...)Show SMILES [H][C@@](C)(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O |r| Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1 | PDB
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| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells assessed as reduction in H2O2 production using p-tyramine as... |
Eur J Med Chem 130: 365-378 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.059 BindingDB Entry DOI: 10.7270/Q2K076J6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM19187
((2S)-2-[({4-[(3-fluorophenyl)methoxy]phenyl}methyl...)Show SMILES [H][C@@](C)(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O |r| Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1 | PDB
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| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 30 mins follo... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112765 BindingDB Entry DOI: 10.7270/Q2ZC86K7 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM19187
((2S)-2-[({4-[(3-fluorophenyl)methoxy]phenyl}methyl...)Show SMILES [H][C@@](C)(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O |r| Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1 | PDB
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| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114329 BindingDB Entry DOI: 10.7270/Q2RF6040 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM19187
((2S)-2-[({4-[(3-fluorophenyl)methoxy]phenyl}methyl...)Show SMILES [H][C@@](C)(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O |r| Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1 | PDB
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| n/a | n/a | 7.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description Inhibition of human MAO-B expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 30 mins followed by subst... |
Bioorg Med Chem Lett 28: 3596-3600 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.048 BindingDB Entry DOI: 10.7270/Q26D5X88 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM19187
((2S)-2-[({4-[(3-fluorophenyl)methoxy]phenyl}methyl...)Show SMILES [H][C@@](C)(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O |r| Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1 | PDB
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| n/a | n/a | 7.70 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of human MAO-B |
Bioorg Med Chem 21: 7435-52 (2013)
Article DOI: 10.1016/j.bmc.2013.09.044 BindingDB Entry DOI: 10.7270/Q2TT4TWF |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM19187
((2S)-2-[({4-[(3-fluorophenyl)methoxy]phenyl}methyl...)Show SMILES [H][C@@](C)(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O |r| Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1 | PDB
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| n/a | n/a | 7.70 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of recombinant human MAO-B expressed in baculovirus-infected insect cells using p-tyramine as substrate incubated for 30 mins prior to sub... |
J Med Chem 56: 4580-96 (2013)
Article DOI: 10.1021/jm400336x BindingDB Entry DOI: 10.7270/Q29C71BR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM19187
((2S)-2-[({4-[(3-fluorophenyl)methoxy]phenyl}methyl...)Show SMILES [H][C@@](C)(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O |r| Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1 | PDB
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| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI cells using p-tyramine as substrate by fluorometric assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112743 BindingDB Entry DOI: 10.7270/Q2P272S9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM19187
((2S)-2-[({4-[(3-fluorophenyl)methoxy]phenyl}methyl...)Show SMILES [H][C@@](C)(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O |r| Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1 | PDB
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| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of human brain MAO-B using [14C]-phenylethylamine substrate after 20 mins |
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 | 3D Structure (crystal) |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM19187
((2S)-2-[({4-[(3-fluorophenyl)methoxy]phenyl}methyl...)Show SMILES [H][C@@](C)(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O |r| Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1 | PDB
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| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description Reversible inhibition of human MAOB |
Bioorg Med Chem Lett 28: 3596-3600 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.048 BindingDB Entry DOI: 10.7270/Q26D5X88 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM19187
((2S)-2-[({4-[(3-fluorophenyl)methoxy]phenyl}methyl...)Show SMILES [H][C@@](C)(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O |r| Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1 | PDB
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| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Yonsei University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human MAO-B using benzylamine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins b... |
Bioorg Med Chem 26: 232-244 (2018)
Article DOI: 10.1016/j.bmc.2017.11.036 BindingDB Entry DOI: 10.7270/Q2959M4S |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM19187
((2S)-2-[({4-[(3-fluorophenyl)methoxy]phenyl}methyl...)Show SMILES [H][C@@](C)(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O |r| Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1 | PDB
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human recombinant MAO-B expressed in supersomes assessed as inhibition of 4-hydroxyquinoline formation using kynuramine as substrate by... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01784 BindingDB Entry DOI: 10.7270/Q2BG2SWG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Amine oxidase [flavin-containing] B
(Rattus norvegicus (rat)) | BDBM19187
((2S)-2-[({4-[(3-fluorophenyl)methoxy]phenyl}methyl...)Show SMILES [H][C@@](C)(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O |r| Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1 | PDB MMDB
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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 | 3D Structure (crystal) |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM19187
((2S)-2-[({4-[(3-fluorophenyl)methoxy]phenyl}methyl...)Show SMILES [H][C@@](C)(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O |r| Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1 | PDB
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Universit£ degli Studi di Bari "Aldo Moro"
Curated by ChEMBL
| Assay Description Inhibition of recombinant human MAO-B expressed in baculovirus infected insect cell microsomes using kynuramine as substrate measured after 30 mins b... |
Eur J Med Chem 161: 292-309 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.016 BindingDB Entry DOI: 10.7270/Q2X351QR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM19187
((2S)-2-[({4-[(3-fluorophenyl)methoxy]phenyl}methyl...)Show SMILES [H][C@@](C)(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O |r| Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1 | PDB
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Heinrich Heine University Duesseldorf
Curated by ChEMBL
| Assay Description Inhibition of human MAO-B expressed in baculovirus infected insect cell membranes using kynuramine as substrate preincubated for 30 mins followed by ... |
Eur J Med Chem 148: 487-497 (2018)
Article DOI: 10.1016/j.ejmech.2018.02.015 BindingDB Entry DOI: 10.7270/Q2Z89G1Q |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM19187
((2S)-2-[({4-[(3-fluorophenyl)methoxy]phenyl}methyl...)Show SMILES [H][C@@](C)(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O |r| Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1 | PDB
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University of Porto
Curated by ChEMBL
| Assay Description Inhibition of human microsomal MAO-B expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as reduction in 4-hydroxyquinoline formation using... |
Eur J Med Chem 185: (2020)
Article DOI: 10.1016/j.ejmech.2019.111770 BindingDB Entry DOI: 10.7270/Q21N84DJ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM19187
((2S)-2-[({4-[(3-fluorophenyl)methoxy]phenyl}methyl...)Show SMILES [H][C@@](C)(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O |r| Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1 | PDB
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CIQUP/Department of Chemistry and Biochemistry, Faculty of Sciences, University of Porto , 4169-007 Porto, Portugal.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant microsomal MAOB expressed in baculovirus infected BTI-TN-5B1- 4 cells using p-tyramine as substrate assessed as decre... |
J Med Chem 60: 7206-7212 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00918 BindingDB Entry DOI: 10.7270/Q23B62KQ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM19187
((2S)-2-[({4-[(3-fluorophenyl)methoxy]phenyl}methyl...)Show SMILES [H][C@@](C)(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O |r| Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1 | PDB
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University of Porto
Curated by ChEMBL
| Assay Description Inhibition of human microsomal MAO-B expressed in recombinant baculovirus infected insect BTI-TN-5B1-4 cells assessed as reduction in H2O2 production... |
J Med Chem 59: 5879-93 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00527 BindingDB Entry DOI: 10.7270/Q2X92FSJ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM19187
((2S)-2-[({4-[(3-fluorophenyl)methoxy]phenyl}methyl...)Show SMILES [H][C@@](C)(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O |r| Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1 | PDB
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University of Porto
Curated by ChEMBL
| Assay Description Inhibition of human microsomal MAO-B expressed in recombinant baculovirus infected insect BTI-TN-5B1-4 cells assessed as reduction in H2O2 production... |
J Med Chem 59: 5879-93 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00527 BindingDB Entry DOI: 10.7270/Q2X92FSJ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM19187
((2S)-2-[({4-[(3-fluorophenyl)methoxy]phenyl}methyl...)Show SMILES [H][C@@](C)(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O |r| Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1 | PDB
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University of Porto
Curated by ChEMBL
| Assay Description Inhibition of human recombinant MAOB expressed in baculovirus infected BTI-TN-5B1- 4 cells using p-tyramine as substrate assessed as decrease in H2O2... |
Eur J Med Chem 158: 781-800 (2018)
Article DOI: 10.1016/j.ejmech.2018.07.056 BindingDB Entry DOI: 10.7270/Q2F192DM |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM19187
((2S)-2-[({4-[(3-fluorophenyl)methoxy]phenyl}methyl...)Show SMILES [H][C@@](C)(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O |r| Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1 | PDB
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The University of British Columbia
Curated by ChEMBL
| Assay Description Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect cells using benzylamine as substrate preincubated for 1 h... |
J Med Chem 61: 7043-7064 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01588 BindingDB Entry DOI: 10.7270/Q2VT1VSP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM19187
((2S)-2-[({4-[(3-fluorophenyl)methoxy]phenyl}methyl...)Show SMILES [H][C@@](C)(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O |r| Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1 | PDB
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TBA
| Assay Description Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI-TN- 5B1-4 insect cells using kynuramine as substrate preincubated for 10 ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00510 BindingDB Entry DOI: 10.7270/Q2N87FH1 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Amine oxidase [flavin-containing] B
(Rattus norvegicus (rat)) | BDBM19187
((2S)-2-[({4-[(3-fluorophenyl)methoxy]phenyl}methyl...)Show SMILES [H][C@@](C)(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O |r| Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1 | PDB MMDB
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| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of MAO-B in mitochondria-enriched Sprague-Dawley rat liver fractions using p-tyramine as substrate incubated for 30 mins prior to substrat... |
J Med Chem 56: 4580-96 (2013)
Article DOI: 10.1021/jm400336x BindingDB Entry DOI: 10.7270/Q29C71BR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM19187
((2S)-2-[({4-[(3-fluorophenyl)methoxy]phenyl}methyl...)Show SMILES [H][C@@](C)(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O |r| Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1 | PDB
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| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Bari "Aldo Moro"
Curated by ChEMBL
| Assay Description Inhibition of recombinant human MAO-B expressed in baculovirus infected insect cell microsomes using kynuramine as substrate measured after 30 mins b... |
Eur J Med Chem 161: 292-309 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.016 BindingDB Entry DOI: 10.7270/Q2X351QR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM19187
((2S)-2-[({4-[(3-fluorophenyl)methoxy]phenyl}methyl...)Show SMILES [H][C@@](C)(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O |r| Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1 | PDB
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TBA
| Assay Description Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect cells using p-tyramine as substrate preincubated for 15 m... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112911 BindingDB Entry DOI: 10.7270/Q2RR22XQ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM19187
((2S)-2-[({4-[(3-fluorophenyl)methoxy]phenyl}methyl...)Show SMILES [H][C@@](C)(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O |r| Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1039/d2md00042c BindingDB Entry DOI: 10.7270/Q2BV7MK2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM19187
((2S)-2-[({4-[(3-fluorophenyl)methoxy]phenyl}methyl...)Show SMILES [H][C@@](C)(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O |r| Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1 | PDB
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| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Hefei University of Technology
Curated by ChEMBL
| Assay Description Inhibition of human recombinant MAO-B expressed in insect cells using p-tyramine as substrate preincubated for 30 mins followed by substrate addition... |
Bioorg Med Chem Lett 29: 1012-1018 (2019)
Article DOI: 10.1016/j.bmcl.2019.02.008 BindingDB Entry DOI: 10.7270/Q21839Z3 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM19187
((2S)-2-[({4-[(3-fluorophenyl)methoxy]phenyl}methyl...)Show SMILES [H][C@@](C)(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O |r| Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1 | PDB
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| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
North-West University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human MAO-B after 20 mins using 50 uM kynuramine as substrate by fluorescence spectrophotometry |
Bioorg Med Chem Lett 26: 1200-4 (2016)
Article DOI: 10.1016/j.bmcl.2016.01.034 BindingDB Entry DOI: 10.7270/Q2154JWF |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM19187
((2S)-2-[({4-[(3-fluorophenyl)methoxy]phenyl}methyl...)Show SMILES [H][C@@](C)(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O |r| Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1 | PDB
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| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Chemistry, School of Pharmacy, Centre of Excellence for Pharmaceutical Sciences, North-West University, Private Bag X6001, Potchefstroom 2520, South Africa.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cell microsomes using kynuramine as substrate after 20 mins by flu... |
Eur J Med Chem 135: 196-203 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.055 BindingDB Entry DOI: 10.7270/Q2MW2KM1 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM19187
((2S)-2-[({4-[(3-fluorophenyl)methoxy]phenyl}methyl...)Show SMILES [H][C@@](C)(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O |r| Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1 | PDB
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Ushinsky Yaroslavl State Pedagogical University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human MAOB expressed in insect cell microsomes using kynuramine as substrate measured after 20 mins by fluorescence spectro... |
Bioorg Med Chem Lett 29: 40-46 (2019)
Article DOI: 10.1016/j.bmcl.2018.11.018 BindingDB Entry DOI: 10.7270/Q2VD72QD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM19187
((2S)-2-[({4-[(3-fluorophenyl)methoxy]phenyl}methyl...)Show SMILES [H][C@@](C)(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O |r| Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1 | PDB
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| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Yaroslavl State Technical University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant MAO-B using kynuramine as substrate incubated for 20 mins by fluorescence spectrophotometric analysis |
Bioorg Med Chem Lett 26: 2214-9 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.060 BindingDB Entry DOI: 10.7270/Q2QC06JK |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM19187
((2S)-2-[({4-[(3-fluorophenyl)methoxy]phenyl}methyl...)Show SMILES [H][C@@](C)(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O |r| Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1 | PDB
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| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
Heinrich Heine University Duesseldorf
Curated by ChEMBL
| Assay Description Inhibition of human MAO-B expressed in baculovirus infected insect cell membranes using kynuramine as substrate after 15 to 20 mins by discontinuous ... |
Eur J Med Chem 148: 487-497 (2018)
Article DOI: 10.1016/j.ejmech.2018.02.015 BindingDB Entry DOI: 10.7270/Q2Z89G1Q |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM19187
((2S)-2-[({4-[(3-fluorophenyl)methoxy]phenyl}methyl...)Show SMILES [H][C@@](C)(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O |r| Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1 | PDB
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TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM19187
((2S)-2-[({4-[(3-fluorophenyl)methoxy]phenyl}methyl...)Show SMILES [H][C@@](C)(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O |r| Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1 | PDB
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| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human recombinant MAO-B using kynuramine as substrate incubated for 20 mins measuring increase in emission signal at 400 nm multimode p... |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116255 BindingDB Entry DOI: 10.7270/Q2Z89H5X |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM19187
((2S)-2-[({4-[(3-fluorophenyl)methoxy]phenyl}methyl...)Show SMILES [H][C@@](C)(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O |r| Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1 | PDB
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| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
GVK Biosciences Pvt. Ltd.
Curated by ChEMBL
| Assay Description Inhibition of MAOB |
Eur J Med Chem 44: 3584-90 (2009)
Article DOI: 10.1016/j.ejmech.2009.02.031 BindingDB Entry DOI: 10.7270/Q2Z60P4F |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Amine oxidase [flavin-containing] B
(Rattus norvegicus (rat)) | BDBM19187
((2S)-2-[({4-[(3-fluorophenyl)methoxy]phenyl}methyl...)Show SMILES [H][C@@](C)(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O |r| Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1 | PDB MMDB
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| n/a | n/a | 98 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of rat brain MAO-B using [14C]-phenylethylamine substrate after 20 mins |
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 | 3D Structure (crystal) |
Amine oxidase [flavin-containing] B
(Rattus norvegicus (rat)) | BDBM19187
((2S)-2-[({4-[(3-fluorophenyl)methoxy]phenyl}methyl...)Show SMILES [H][C@@](C)(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O |r| Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1 | PDB MMDB
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| n/a | n/a | 98 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bari
Curated by ChEMBL
| Assay Description Inhibition of rat brain mitochondria MAOB by radioenzymatic assay |
J Med Chem 50: 4909-16 (2007)
Article DOI: 10.1021/jm070725e BindingDB Entry DOI: 10.7270/Q2J9663S |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM19187
((2S)-2-[({4-[(3-fluorophenyl)methoxy]phenyl}methyl...)Show SMILES [H][C@@](C)(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O |r| Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1 | PDB
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TBA
| Assay Description Inhibition of human MAO-B |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128051 BindingDB Entry DOI: 10.7270/Q2J67MPQ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Amine oxidase [flavin-containing] B
(Rattus norvegicus (rat)) | BDBM19187
((2S)-2-[({4-[(3-fluorophenyl)methoxy]phenyl}methyl...)Show SMILES [H][C@@](C)(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O |r| Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1 | PDB MMDB
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| n/a | n/a | 100 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Newron Pharmaceuticals S.P.A.
US Patent
| Assay Description The enzyme activity was assessed with a radioenzymatic assay using the substrate 14C-phenylethylamine (PEA) specific for MAO-B.The mitochondrial pell... |
US Patent US9051240 (2015)
BindingDB Entry DOI: 10.7270/Q2KK99J2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM19187
((2S)-2-[({4-[(3-fluorophenyl)methoxy]phenyl}methyl...)Show SMILES [H][C@@](C)(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O |r| Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1 | PDB
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Korea Institute of Science and Technology
Curated by ChEMBL
| Assay Description Inhibition of recombinant human MAOB using benzylamine as substrate after 30 mins by Amplex red based spectrophotometric analysis |
Bioorg Med Chem 23: 6486-96 (2015)
Article DOI: 10.1016/j.bmc.2015.08.012 BindingDB Entry DOI: 10.7270/Q2MK6FPP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM19187
((2S)-2-[({4-[(3-fluorophenyl)methoxy]phenyl}methyl...)Show SMILES [H][C@@](C)(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O |r| Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1 | PDB
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TBA
| Assay Description Inhibition of recombinant human MAO-B expressed in Sf9 cells preincubated for 15 min followed by addition of benzylamine and measured after 60 min by... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.114025 BindingDB Entry DOI: 10.7270/Q29W0KCB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM19187
((2S)-2-[({4-[(3-fluorophenyl)methoxy]phenyl}methyl...)Show SMILES [H][C@@](C)(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O |r| Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1 | PDB
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TBA
| Assay Description Inhibition of recombinant human MAO-B expressed in Sf9 cells using benzylamine as substrate preincubated for 15 mins followed by substrate addition f... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01663 BindingDB Entry DOI: 10.7270/Q2JM2F9Z |
More data for this Ligand-Target Pair | 3D Structure (crystal) |