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Compile Data Set for Download or QSAR

Found 44 hits with Last Name = 'fonseca' and Initial = 'a'   
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))
BDBM23556
PNG
(3-Carboxamide-coumarin deriv., 32 | N-(3-chlorophe...)
Show SMILES Cc1ccc2oc(=O)c(cc2c1)C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C17H12ClNO3/c1-10-5-6-15-11(7-10)8-14(17(21)22-15)16(20)19-13-4-2-3-12(18)9-13/h2-9H,1H3,(H,19,20)
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1.20n/an/an/an/an/an/an/an/a



CIQUP/Department of Chemistry and Biochemistry, Faculty of Sciences, University of Porto , 4169-007 Porto, Portugal.

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of human recombinant microsomal MAOB expressed in baculovirus infected BTI-TN-5B1- 4 cells using p-tyramine as substrate as...


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
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50258188
PNG
(CHEMBL4060916)
Show SMILES Cc1ccc2occ(C(=O)Nc3cccc(Cl)c3)c(=O)c2c1
Show InChI InChI=1S/C17H12ClNO3/c1-10-5-6-15-13(7-10)16(20)14(9-22-15)17(21)19-12-4-2-3-11(18)8-12/h2-9H,1H3,(H,19,21)
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2.70n/an/an/an/an/an/an/an/a



CIQUP/Department of Chemistry and Biochemistry, Faculty of Sciences, University of Porto , 4169-007 Porto, Portugal.

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of human recombinant microsomal MAOB expressed in baculovirus infected BTI-TN-5B1- 4 cells using p-tyramine as substrate as...


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
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50131081
PNG
(4-oxo-4H-chromene-3-carboxylic acid | CHEMBL315361)
Show SMILES OC(=O)c1coc2ccccc2c1=O
Show InChI InChI=1S/C10H6O4/c11-9-6-3-1-2-4-8(6)14-5-7(9)10(12)13/h1-5H,(H,12,13)
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n/an/a 0.0480n/an/an/an/an/an/a



Universidade do Porto

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus-infected BTI insect cells after 15 mins by fluorimetric assay


Bioorg Med Chem Lett 21: 707-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.128
BindingDB Entry DOI: 10.7270/Q2ZW1M6S
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50258206
PNG
(CHEMBL4074532)
Show SMILES COc1ccc2occ(C(=O)Nc3cccc(Cl)c3)c(=O)c2c1
Show InChI InChI=1S/C17H12ClNO4/c1-22-12-5-6-15-13(8-12)16(20)14(9-23-15)17(21)19-11-4-2-3-10(18)7-11/h2-9H,1H3,(H,19,21)
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n/an/a 3.90n/an/an/an/an/an/a



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
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50258188
PNG
(CHEMBL4060916)
Show SMILES Cc1ccc2occ(C(=O)Nc3cccc(Cl)c3)c(=O)c2c1
Show InChI InChI=1S/C17H12ClNO3/c1-10-5-6-15-13(7-10)16(20)14(9-22-15)17(21)19-12-4-2-3-11(18)8-12/h2-9H,1H3,(H,19,21)
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n/an/a 4.20n/an/an/an/an/an/a



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
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 4.5n/an/an/an/an/an/a



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 MAOA 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
3D Structure (crystal)
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM23556
PNG
(3-Carboxamide-coumarin deriv., 32 | N-(3-chlorophe...)
Show SMILES Cc1ccc2oc(=O)c(cc2c1)C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C17H12ClNO3/c1-10-5-6-15-11(7-10)8-14(17(21)22-15)16(20)19-13-4-2-3-12(18)9-13/h2-9H,1H3,(H,19,20)
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n/an/a 5.10n/an/an/an/an/an/a



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
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50258214
PNG
(CHEMBL4076698)
Show SMILES COc1ccc2oc(=O)c(cc2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C17H13NO4/c1-21-13-7-8-15-11(9-13)10-14(17(20)22-15)16(19)18-12-5-3-2-4-6-12/h2-10H,1H3,(H,18,19)
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n/an/a 6n/an/an/an/an/an/a



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
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM23559
PNG
(3-Carboxamide-coumarin deriv., 29 | 6-methyl-N-(3-...)
Show SMILES Cc1cccc(NC(=O)c2cc3cc(C)ccc3oc2=O)c1
Show InChI InChI=1S/C18H15NO3/c1-11-4-3-5-14(9-11)19-17(20)15-10-13-8-12(2)6-7-16(13)22-18(15)21/h3-10H,1-2H3,(H,19,20)
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n/an/a 7.5n/an/an/an/an/an/a



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
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50258174
PNG
(CHEMBL4080704)
Show SMILES COc1ccc2oc(=O)c(cc2c1)C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C17H12ClNO4/c1-22-13-5-6-15-10(7-13)8-14(17(21)23-15)16(20)19-12-4-2-3-11(18)9-12/h2-9H,1H3,(H,19,20)
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n/an/a 9n/an/an/an/an/an/a



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
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50258208
PNG
(CHEMBL4078090)
Show SMILES COc1ccc2occ(C(=O)Nc3ccc(Cl)cc3)c(=O)c2c1
Show InChI InChI=1S/C17H12ClNO4/c1-22-12-6-7-15-13(8-12)16(20)14(9-23-15)17(21)19-11-4-2-10(18)3-5-11/h2-9H,1H3,(H,19,21)
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n/an/a 10n/an/an/an/an/an/a



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
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM23557
PNG
(3-Carboxamide-coumarin deriv., 33 | N-(4-chlorophe...)
Show SMILES Cc1ccc2oc(=O)c(cc2c1)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C17H12ClNO3/c1-10-2-7-15-11(8-10)9-14(17(21)22-15)16(20)19-13-5-3-12(18)4-6-13/h2-9H,1H3,(H,19,20)
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n/an/a 11n/an/an/an/an/an/a



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
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM23560
PNG
(3-Carboxamide-coumarin deriv., 30 | 6-methyl-N-(4-...)
Show SMILES Cc1ccc(NC(=O)c2cc3cc(C)ccc3oc2=O)cc1
Show InChI InChI=1S/C18H15NO3/c1-11-3-6-14(7-4-11)19-17(20)15-10-13-9-12(2)5-8-16(13)22-18(15)21/h3-10H,1-2H3,(H,19,20)
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n/an/a 14n/an/an/an/an/an/a



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
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM23538
PNG
(3-Carboxamide-coumarin deriv., 20 | 6-methyl-2-oxo...)
Show SMILES Cc1ccc2oc(=O)c(cc2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C17H13NO3/c1-11-7-8-15-12(9-11)10-14(17(20)21-15)16(19)18-13-5-3-2-4-6-13/h2-10H,1H3,(H,18,19)
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n/an/a 15n/an/an/an/an/an/a



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
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM15579
PNG
(CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...)
Show SMILES C[C@H](Cc1ccccc1)N(C)CC#C |r|
Show InChI InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Universidade do Porto

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus-infected BTI insect cells after 15 mins by fluorimetric assay


Bioorg Med Chem Lett 21: 707-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.128
BindingDB Entry DOI: 10.7270/Q2ZW1M6S
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50258178
PNG
(CHEMBL4094520)
Show SMILES Cc1cccc(NC(=O)c2coc3ccc(C)cc3c2=O)c1
Show InChI InChI=1S/C18H15NO3/c1-11-4-3-5-13(8-11)19-18(21)15-10-22-16-7-6-12(2)9-14(16)17(15)20/h3-10H,1-2H3,(H,19,21)
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n/an/a 17n/an/an/an/an/an/a



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
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM15579
PNG
(CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...)
Show SMILES C[C@H](Cc1ccccc1)N(C)CC#C |r|
Show InChI InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1
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n/an/a 17n/an/an/an/an/an/a



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
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50258176
PNG
(CHEMBL4089520)
Show SMILES COc1ccc2oc(=O)c(cc2c1)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C17H12ClNO4/c1-22-13-6-7-15-10(8-13)9-14(17(21)23-15)16(20)19-12-4-2-11(18)3-5-12/h2-9H,1H3,(H,19,20)
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n/an/a 19n/an/an/an/an/an/a



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
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50258215
PNG
(CHEMBL4099648)
Show SMILES COc1ccc2oc(=O)c(cc2c1)C(=O)Nc1ccc(C)cc1
Show InChI InChI=1S/C18H15NO4/c1-11-3-5-13(6-4-11)19-17(20)15-10-12-9-14(22-2)7-8-16(12)23-18(15)21/h3-10H,1-2H3,(H,19,20)
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n/an/a 19n/an/an/an/an/an/a



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
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50258177
PNG
(CHEMBL4073128)
Show SMILES Cc1ccc2occ(C(=O)Nc3ccccc3)c(=O)c2c1
Show InChI InChI=1S/C17H13NO3/c1-11-7-8-15-13(9-11)16(19)14(10-21-15)17(20)18-12-5-3-2-4-6-12/h2-10H,1H3,(H,18,20)
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n/an/a 21n/an/an/an/an/an/a



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
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50258202
PNG
(CHEMBL4072004)
Show SMILES COc1ccc2occ(C(=O)Nc3cccc(C)c3)c(=O)c2c1
Show InChI InChI=1S/C18H15NO4/c1-11-4-3-5-12(8-11)19-18(21)15-10-23-16-7-6-13(22-2)9-14(16)17(15)20/h3-10H,1-2H3,(H,19,21)
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n/an/a 22n/an/an/an/an/an/a



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
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM19187
PNG
((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
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n/an/a 23n/an/an/an/an/an/a



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
3D Structure (crystal)
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50258211
PNG
(CHEMBL4070614)
Show SMILES COc1ccc2occ(C(=O)Nc3ccccc3)c(=O)c2c1
Show InChI InChI=1S/C17H13NO4/c1-21-12-7-8-15-13(9-12)16(19)14(10-22-15)17(20)18-11-5-3-2-4-6-11/h2-10H,1H3,(H,18,20)
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n/an/a 42n/an/an/an/an/an/a



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
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50258213
PNG
(CHEMBL4074339)
Show SMILES Cc1ccc2oc(=O)c(cc2c1)C(=O)Nc1cccc(O)c1
Show InChI InChI=1S/C17H13NO4/c1-10-5-6-15-11(7-10)8-14(17(21)22-15)16(20)18-12-3-2-4-13(19)9-12/h2-9,19H,1H3,(H,18,20)
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n/an/a 45n/an/an/an/an/an/a



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
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50258199
PNG
(CHEMBL4081233)
Show SMILES Cc1ccc2occ(C(=O)Nc3ccc(Cl)cc3)c(=O)c2c1
Show InChI InChI=1S/C17H12ClNO3/c1-10-2-7-15-13(8-10)16(20)14(9-22-15)17(21)19-12-5-3-11(18)4-6-12/h2-9H,1H3,(H,19,21)
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n/an/a 45n/an/an/an/an/an/a



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
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50258170
PNG
(CHEMBL1598233)
Show SMILES COc1ccc2oc(=O)c(cc2c1)C(=O)Nc1cccc(C)c1
Show InChI InChI=1S/C18H15NO4/c1-11-4-3-5-13(8-11)19-17(20)15-10-12-9-14(22-2)6-7-16(12)23-18(15)21/h3-10H,1-2H3,(H,19,20)
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n/an/a 47n/an/an/an/an/an/a



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
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM10989
PNG
((1R)-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-ami...)
Show SMILES C#CCN[C@@H]1CCc2ccccc12 |r|
Show InChI InChI=1S/C12H13N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-6,12-13H,7-9H2/t12-/m1/s1
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n/an/a 50n/an/an/an/an/an/a



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
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50333655
PNG
(4-oxo-N-p-tolyl-4H-chromene-3-carboxamide | CHEMBL...)
Show SMILES Cc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1
Show InChI InChI=1S/C17H13NO3/c1-11-6-8-12(9-7-11)18-17(20)14-10-21-15-5-3-2-4-13(15)16(14)19/h2-10H,1H3,(H,18,20)
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n/an/a 68n/an/an/an/an/an/a



Universidade do Porto

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus-infected BTI insect cells after 15 mins by fluorimetric assay


Bioorg Med Chem Lett 21: 707-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.128
BindingDB Entry DOI: 10.7270/Q2ZW1M6S
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50333652
PNG
(CHEMBL1643121 | N-(4-iodophenyl)-4-oxo-4H-chromene...)
Show SMILES Ic1ccc(NC(=O)c2coc3ccccc3c2=O)cc1
Show InChI InChI=1S/C16H10INO3/c17-10-5-7-11(8-6-10)18-16(20)13-9-21-14-4-2-1-3-12(14)15(13)19/h1-9H,(H,18,20)
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n/an/a 69n/an/an/an/an/an/a



Universidade do Porto

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus-infected BTI insect cells after 15 mins by fluorimetric assay


Bioorg Med Chem Lett 21: 707-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.128
BindingDB Entry DOI: 10.7270/Q2ZW1M6S
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50258210
PNG
(CHEMBL4089098)
Show SMILES Cc1ccc2occ(C(=O)Nc3cccc(O)c3)c(=O)c2c1
Show InChI InChI=1S/C17H13NO4/c1-10-5-6-15-13(7-10)16(20)14(9-22-15)17(21)18-11-3-2-4-12(19)8-11/h2-9,19H,1H3,(H,18,21)
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n/an/a 78n/an/an/an/an/an/a



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
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50258212
PNG
(CHEMBL4085981)
Show SMILES COc1ccc2occ(C(=O)Nc3cccc(O)c3)c(=O)c2c1
Show InChI InChI=1S/C17H13NO5/c1-22-12-5-6-15-13(8-12)16(20)14(9-23-15)17(21)18-10-3-2-4-11(19)7-10/h2-9,19H,1H3,(H,18,21)
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n/an/a 114n/an/an/an/an/an/a



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
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50333654
PNG
(CHEMBL1643123 | N-(4-(methylthio)phenyl)-4-oxo-4H-...)
Show SMILES CSc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1
Show InChI InChI=1S/C17H13NO3S/c1-22-12-8-6-11(7-9-12)18-17(20)14-10-21-15-5-3-2-4-13(15)16(14)19/h2-10H,1H3,(H,18,20)
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n/an/a 120n/an/an/an/an/an/a



Universidade do Porto

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus-infected BTI insect cells after 15 mins by fluorimetric assay


Bioorg Med Chem Lett 21: 707-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.128
BindingDB Entry DOI: 10.7270/Q2ZW1M6S
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50258195
PNG
(CHEMBL4099251)
Show SMILES Cc1ccc(NC(=O)c2coc3ccc(C)cc3c2=O)cc1
Show InChI InChI=1S/C18H15NO3/c1-11-3-6-13(7-4-11)19-18(21)15-10-22-16-8-5-12(2)9-14(16)17(15)20/h3-10H,1-2H3,(H,19,21)
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n/an/a 152n/an/an/an/an/an/a



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
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50258207
PNG
(CHEMBL4075920)
Show SMILES COc1ccc2occ(C(=O)Nc3ccc(C)cc3)c(=O)c2c1
Show InChI InChI=1S/C18H15NO4/c1-11-3-5-12(6-4-11)19-18(21)15-10-23-16-8-7-13(22-2)9-14(16)17(15)20/h3-10H,1-2H3,(H,19,21)
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n/an/a 211n/an/an/an/an/an/a



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
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50258175
PNG
(CHEMBL4081648)
Show SMILES COc1ccc2oc(=O)c(cc2c1)C(=O)Nc1cccc(O)c1
Show InChI InChI=1S/C17H13NO5/c1-22-13-5-6-15-10(7-13)8-14(17(21)23-15)16(20)18-11-3-2-4-12(19)9-11/h2-9,19H,1H3,(H,18,20)
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n/an/a 229n/an/an/an/an/an/a



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
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50333651
PNG
(4-oxo-N-phenyl-4H-chromene-3-carboxamide | CHEMBL1...)
Show SMILES O=C(Nc1ccccc1)c1coc2ccccc2c1=O
Show InChI InChI=1S/C16H11NO3/c18-15-12-8-4-5-9-14(12)20-10-13(15)16(19)17-11-6-2-1-3-7-11/h1-10H,(H,17,19)
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n/an/a 400n/an/an/an/an/an/a



Universidade do Porto

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus-infected BTI insect cells after 15 mins by fluorimetric assay


Bioorg Med Chem Lett 21: 707-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.128
BindingDB Entry DOI: 10.7270/Q2ZW1M6S
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50333653
PNG
(CHEMBL1643122 | N-(4-methoxyphenyl)-4-oxo-4H-chrom...)
Show SMILES COc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1
Show InChI InChI=1S/C17H13NO4/c1-21-12-8-6-11(7-9-12)18-17(20)14-10-22-15-5-3-2-4-13(15)16(14)19/h2-10H,1H3,(H,18,20)
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n/an/a 450n/an/an/an/an/an/a



Universidade do Porto

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus-infected BTI insect cells after 15 mins by fluorimetric assay


Bioorg Med Chem Lett 21: 707-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.128
BindingDB Entry DOI: 10.7270/Q2ZW1M6S
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50258201
PNG
(CHEMBL4091517)
Show SMILES Cc1ccc2occ(C(=O)Nc3ccc(O)cc3)c(=O)c2c1
Show InChI InChI=1S/C17H13NO4/c1-10-2-7-15-13(8-10)16(20)14(9-22-15)17(21)18-11-3-5-12(19)6-4-11/h2-9,19H,1H3,(H,18,21)
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n/an/a 513n/an/an/an/an/an/a



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
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50258169
PNG
(CHEMBL4097014)
Show SMILES Cc1ccc2oc(=O)c(cc2c1)C(=O)Nc1ccc(O)cc1
Show InChI InChI=1S/C17H13NO4/c1-10-2-7-15-11(8-10)9-14(17(21)22-15)16(20)18-12-3-5-13(19)6-4-12/h2-9,19H,1H3,(H,18,20)
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n/an/a 622n/an/an/an/an/an/a



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
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50258209
PNG
(CHEMBL4102366)
Show SMILES COc1ccc2occ(C(=O)Nc3ccc(O)cc3)c(=O)c2c1
Show InChI InChI=1S/C17H13NO5/c1-22-12-6-7-15-13(8-12)16(20)14(9-23-15)17(21)18-10-2-4-11(19)5-3-10/h2-9,19H,1H3,(H,18,21)
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n/an/a 674n/an/an/an/an/an/a



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
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM29136
PNG
(CHEMBL92401 | Euphozid | Iprazid | Iproniazid)
Show SMILES CC(C)NNC(=O)c1ccncc1
Show InChI InChI=1S/C9H13N3O/c1-7(2)11-12-9(13)8-3-5-10-6-4-8/h3-7,11H,1-2H3,(H,12,13)
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n/an/a 6.56E+3n/an/an/an/an/an/a



Universidade do Porto

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA expressed in baculovirus-infected BTI insect cells after 15 mins by fluorimetric assay


Bioorg Med Chem Lett 21: 707-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.128
BindingDB Entry DOI: 10.7270/Q2ZW1M6S
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM29136
PNG
(CHEMBL92401 | Euphozid | Iprazid | Iproniazid)
Show SMILES CC(C)NNC(=O)c1ccncc1
Show InChI InChI=1S/C9H13N3O/c1-7(2)11-12-9(13)8-3-5-10-6-4-8/h3-7,11H,1-2H3,(H,12,13)
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n/an/a 7.54E+3n/an/an/an/an/an/a



Universidade do Porto

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus-infected BTI insect cells after 15 mins by fluorimetric assay


Bioorg Med Chem Lett 21: 707-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.128
BindingDB Entry DOI: 10.7270/Q2ZW1M6S
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM10989
PNG
((1R)-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-ami...)
Show SMILES C#CCN[C@@H]1CCc2ccccc12 |r|
Show InChI InChI=1S/C12H13N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-6,12-13H,7-9H2/t12-/m1/s1
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n/an/a 5.30E+4n/an/an/an/an/an/a



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 MAOA 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
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM15579
PNG
(CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...)
Show SMILES C[C@H](Cc1ccccc1)N(C)CC#C |r|
Show InChI InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1
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n/an/a 6.87E+4n/an/an/an/an/an/a



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 MAOA 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