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Compile Data Set for Download or QSAR

Found 23 hits Enz. Inhib. hit(s) with all data for entry = 50033715   
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))
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 MAO-B assessed as inhibition of p-tyramine oxidation to p-hydroxyphenyl-acetaldehyde after 15 mins by fluorimetric method


J Med Chem 54: 5165-73 (2011)


Article DOI: 10.1021/jm2004267
BindingDB Entry DOI: 10.7270/Q20865PP
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50350110
PNG
(CHEMBL1814068)
Show SMILES Clc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1
Show InChI InChI=1S/C16H10ClNO3/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 63n/an/an/an/an/an/a



Universidade do Porto

Curated by ChEMBL


Assay Description
Inhibition of human MAO-B assessed as inhibition of p-tyramine oxidation to p-hydroxyphenyl-acetaldehyde after 15 mins by fluorimetric method


J Med Chem 54: 5165-73 (2011)


Article DOI: 10.1021/jm2004267
BindingDB Entry DOI: 10.7270/Q20865PP
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50350111
PNG
(CHEMBL1814064)
Show SMILES Oc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1
Show InChI InChI=1S/C16H11NO4/c18-11-7-5-10(6-8-11)17-16(20)13-9-21-14-4-2-1-3-12(14)15(13)19/h1-9,18H,(H,17,20)
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n/an/a 64n/an/an/an/an/an/a



Universidade do Porto

Curated by ChEMBL


Assay Description
Inhibition of human MAO-B assessed as inhibition of p-tyramine oxidation to p-hydroxyphenyl-acetaldehyde after 15 mins by fluorimetric method


J Med Chem 54: 5165-73 (2011)


Article DOI: 10.1021/jm2004267
BindingDB Entry DOI: 10.7270/Q20865PP
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50350112
PNG
(CHEMBL1814065)
Show SMILES COc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1O
Show InChI InChI=1S/C17H13NO5/c1-22-15-7-6-10(8-13(15)19)18-17(21)12-9-23-14-5-3-2-4-11(14)16(12)20/h2-9,19H,1H3,(H,18,21)
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n/an/a 76n/an/an/an/an/an/a



Universidade do Porto

Curated by ChEMBL


Assay Description
Inhibition of human MAO-B assessed as inhibition of p-tyramine oxidation to p-hydroxyphenyl-acetaldehyde after 15 mins by fluorimetric method


J Med Chem 54: 5165-73 (2011)


Article DOI: 10.1021/jm2004267
BindingDB Entry DOI: 10.7270/Q20865PP
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50350113
PNG
(CHEMBL1814070)
Show SMILES FC(F)(F)c1ccc(NC(=O)c2coc3ccccc3c2=O)cc1
Show InChI InChI=1S/C17H10F3NO3/c18-17(19,20)10-5-7-11(8-6-10)21-16(23)13-9-24-14-4-2-1-3-12(14)15(13)22/h1-9H,(H,21,23)
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n/an/a 110n/an/an/an/an/an/a



Universidade do Porto

Curated by ChEMBL


Assay Description
Inhibition of human MAO-B assessed as inhibition of p-tyramine oxidation to p-hydroxyphenyl-acetaldehyde after 15 mins by fluorimetric method


J Med Chem 54: 5165-73 (2011)


Article DOI: 10.1021/jm2004267
BindingDB Entry DOI: 10.7270/Q20865PP
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50350114
PNG
(CHEMBL1814066)
Show SMILES Oc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1O
Show InChI InChI=1S/C16H11NO5/c18-12-6-5-9(7-13(12)19)17-16(21)11-8-22-14-4-2-1-3-10(14)15(11)20/h1-8,18-19H,(H,17,21)
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n/an/a 160n/an/an/an/an/an/a



Universidade do Porto

Curated by ChEMBL


Assay Description
Inhibition of human MAO-B assessed as inhibition of p-tyramine oxidation to p-hydroxyphenyl-acetaldehyde after 15 mins by fluorimetric method


J Med Chem 54: 5165-73 (2011)


Article DOI: 10.1021/jm2004267
BindingDB Entry DOI: 10.7270/Q20865PP
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50350115
PNG
(CHEMBL1814057)
Show SMILES Oc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1O
Show InChI InChI=1S/C16H11NO5/c18-11-6-5-9(7-13(11)20)17-16(21)15-8-12(19)10-3-1-2-4-14(10)22-15/h1-8,18,20H,(H,17,21)
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n/an/a 190n/an/an/an/an/an/a



Universidade do Porto

Curated by ChEMBL


Assay Description
Inhibition of human MAO-A assessed as inhibition of p-tyramine oxidation to p-hydroxyphenyl-acetaldehyde after 15 mins by fluorimetric method


J Med Chem 54: 5165-73 (2011)


Article DOI: 10.1021/jm2004267
BindingDB Entry DOI: 10.7270/Q20865PP
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 MAO-B assessed as inhibition of p-tyramine oxidation to p-hydroxyphenyl-acetaldehyde after 15 mins by fluorimetric method


J Med Chem 54: 5165-73 (2011)


Article DOI: 10.1021/jm2004267
BindingDB Entry DOI: 10.7270/Q20865PP
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50350114
PNG
(CHEMBL1814066)
Show SMILES Oc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1O
Show InChI InChI=1S/C16H11NO5/c18-12-6-5-9(7-13(12)19)17-16(21)11-8-22-14-4-2-1-3-10(14)15(11)20/h1-8,18-19H,(H,17,21)
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n/an/a 430n/an/an/an/an/an/a



Universidade do Porto

Curated by ChEMBL


Assay Description
Inhibition of human MAO-A assessed as inhibition of p-tyramine oxidation to p-hydroxyphenyl-acetaldehyde after 15 mins by fluorimetric method


J Med Chem 54: 5165-73 (2011)


Article DOI: 10.1021/jm2004267
BindingDB Entry DOI: 10.7270/Q20865PP
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50350116
PNG
(CHEMBL1814072)
Show SMILES O=C(NC1CCCCC1)c1coc2ccccc2c1=O
Show InChI InChI=1S/C16H17NO3/c18-15-12-8-4-5-9-14(12)20-10-13(15)16(19)17-11-6-2-1-3-7-11/h4-5,8-11H,1-3,6-7H2,(H,17,19)
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n/an/a 930n/an/an/an/an/an/a



Universidade do Porto

Curated by ChEMBL


Assay Description
Inhibition of human MAO-B assessed as inhibition of p-tyramine oxidation to p-hydroxyphenyl-acetaldehyde after 15 mins by fluorimetric method


J Med Chem 54: 5165-73 (2011)


Article DOI: 10.1021/jm2004267
BindingDB Entry DOI: 10.7270/Q20865PP
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50350117
PNG
(CHEMBL1814069)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1
Show InChI InChI=1S/C17H10F3NO4/c18-17(19,20)25-11-7-5-10(6-8-11)21-16(23)13-9-24-14-4-2-1-3-12(14)15(13)22/h1-9H,(H,21,23)
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n/an/a 1.08E+3n/an/an/an/an/an/a



Universidade do Porto

Curated by ChEMBL


Assay Description
Inhibition of human MAO-B assessed as inhibition of p-tyramine oxidation to p-hydroxyphenyl-acetaldehyde after 15 mins by fluorimetric method


J Med Chem 54: 5165-73 (2011)


Article DOI: 10.1021/jm2004267
BindingDB Entry DOI: 10.7270/Q20865PP
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50350118
PNG
(CHEMBL1814067)
Show SMILES COc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1OC
Show InChI InChI=1S/C18H15NO5/c1-22-15-8-7-11(9-16(15)23-2)19-18(21)13-10-24-14-6-4-3-5-12(14)17(13)20/h3-10H,1-2H3,(H,19,21)
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n/an/a 2.33E+3n/an/an/an/an/an/a



Universidade do Porto

Curated by ChEMBL


Assay Description
Inhibition of human MAO-B assessed as inhibition of p-tyramine oxidation to p-hydroxyphenyl-acetaldehyde after 15 mins by fluorimetric method


J Med Chem 54: 5165-73 (2011)


Article DOI: 10.1021/jm2004267
BindingDB Entry DOI: 10.7270/Q20865PP
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50350115
PNG
(CHEMBL1814057)
Show SMILES Oc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1O
Show InChI InChI=1S/C16H11NO5/c18-11-6-5-9(7-13(11)20)17-16(21)15-8-12(19)10-3-1-2-4-14(10)22-15/h1-8,18,20H,(H,17,21)
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n/an/a 2.66E+3n/an/an/an/an/an/a



Universidade do Porto

Curated by ChEMBL


Assay Description
Inhibition of human MAO-B assessed as inhibition of p-tyramine oxidation to p-hydroxyphenyl-acetaldehyde after 15 mins by fluorimetric method


J Med Chem 54: 5165-73 (2011)


Article DOI: 10.1021/jm2004267
BindingDB Entry DOI: 10.7270/Q20865PP
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50350111
PNG
(CHEMBL1814064)
Show SMILES Oc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1
Show InChI InChI=1S/C16H11NO4/c18-11-7-5-10(6-8-11)17-16(20)13-9-21-14-4-2-1-3-12(14)15(13)19/h1-9,18H,(H,17,20)
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n/an/a 4.76E+3n/an/an/an/an/an/a



Universidade do Porto

Curated by ChEMBL


Assay Description
Inhibition of human MAO-A assessed as inhibition of p-tyramine oxidation to p-hydroxyphenyl-acetaldehyde after 15 mins by fluorimetric method


J Med Chem 54: 5165-73 (2011)


Article DOI: 10.1021/jm2004267
BindingDB Entry DOI: 10.7270/Q20865PP
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 MAO-A assessed as inhibition of p-tyramine oxidation to p-hydroxyphenyl-acetaldehyde after 15 mins by fluorimetric method


J Med Chem 54: 5165-73 (2011)


Article DOI: 10.1021/jm2004267
BindingDB Entry DOI: 10.7270/Q20865PP
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 MAO-B assessed as inhibition of p-tyramine oxidation to p-hydroxyphenyl-acetaldehyde after 15 mins by fluorimetric method


J Med Chem 54: 5165-73 (2011)


Article DOI: 10.1021/jm2004267
BindingDB Entry DOI: 10.7270/Q20865PP
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50350112
PNG
(CHEMBL1814065)
Show SMILES COc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1O
Show InChI InChI=1S/C17H13NO5/c1-22-15-7-6-10(8-13(15)19)18-17(21)12-9-23-14-5-3-2-4-11(14)16(12)20/h2-9,19H,1H3,(H,18,21)
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n/an/a 8.34E+3n/an/an/an/an/an/a



Universidade do Porto

Curated by ChEMBL


Assay Description
Inhibition of human MAO-A assessed as inhibition of p-tyramine oxidation to p-hydroxyphenyl-acetaldehyde after 15 mins by fluorimetric method


J Med Chem 54: 5165-73 (2011)


Article DOI: 10.1021/jm2004267
BindingDB Entry DOI: 10.7270/Q20865PP
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50350119
PNG
(CHEMBL1814071)
Show SMILES [O-][N+](=O)c1ccc(NC(=O)c2coc3ccccc3c2=O)cc1
Show InChI InChI=1S/C16H10N2O5/c19-15-12-3-1-2-4-14(12)23-9-13(15)16(20)17-10-5-7-11(8-6-10)18(21)22/h1-9H,(H,17,20)
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n/an/a 1.11E+4n/an/an/an/an/an/a



Universidade do Porto

Curated by ChEMBL


Assay Description
Inhibition of human MAO-A assessed as inhibition of p-tyramine oxidation to p-hydroxyphenyl-acetaldehyde after 15 mins by fluorimetric method


J Med Chem 54: 5165-73 (2011)


Article DOI: 10.1021/jm2004267
BindingDB Entry DOI: 10.7270/Q20865PP
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50350119
PNG
(CHEMBL1814071)
Show SMILES [O-][N+](=O)c1ccc(NC(=O)c2coc3ccccc3c2=O)cc1
Show InChI InChI=1S/C16H10N2O5/c19-15-12-3-1-2-4-14(12)23-9-13(15)16(20)17-10-5-7-11(8-6-10)18(21)22/h1-9H,(H,17,20)
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n/an/a 1.18E+4n/an/an/an/an/an/a



Universidade do Porto

Curated by ChEMBL


Assay Description
Inhibition of human MAO-B assessed as inhibition of p-tyramine oxidation to p-hydroxyphenyl-acetaldehyde after 15 mins by fluorimetric method


J Med Chem 54: 5165-73 (2011)


Article DOI: 10.1021/jm2004267
BindingDB Entry DOI: 10.7270/Q20865PP
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50350120
PNG
(CHEMBL1814073)
Show SMILES CCCNC(=O)c1coc2ccccc2c1=O
Show InChI InChI=1S/C13H13NO3/c1-2-7-14-13(16)10-8-17-11-6-4-3-5-9(11)12(10)15/h3-6,8H,2,7H2,1H3,(H,14,16)
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n/an/a 3.77E+4n/an/an/an/an/an/a



Universidade do Porto

Curated by ChEMBL


Assay Description
Inhibition of human MAO-B assessed as inhibition of p-tyramine oxidation to p-hydroxyphenyl-acetaldehyde after 15 mins by fluorimetric method


J Med Chem 54: 5165-73 (2011)


Article DOI: 10.1021/jm2004267
BindingDB Entry DOI: 10.7270/Q20865PP
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50350121
PNG
(CHEMBL1814055)
Show SMILES Oc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1
Show InChI InChI=1S/C16H11NO4/c18-11-7-5-10(6-8-11)17-16(20)15-9-13(19)12-3-1-2-4-14(12)21-15/h1-9,18H,(H,17,20)
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n/an/a 4.19E+4n/an/an/an/an/an/a



Universidade do Porto

Curated by ChEMBL


Assay Description
Inhibition of human MAO-B assessed as inhibition of p-tyramine oxidation to p-hydroxyphenyl-acetaldehyde after 15 mins by fluorimetric method


J Med Chem 54: 5165-73 (2011)


Article DOI: 10.1021/jm2004267
BindingDB Entry DOI: 10.7270/Q20865PP
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50350121
PNG
(CHEMBL1814055)
Show SMILES Oc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1
Show InChI InChI=1S/C16H11NO4/c18-11-7-5-10(6-8-11)17-16(20)15-9-13(19)12-3-1-2-4-14(12)21-15/h1-9,18H,(H,17,20)
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n/an/a 6.52E+4n/an/an/an/an/an/a



Universidade do Porto

Curated by ChEMBL


Assay Description
Inhibition of human MAO-A assessed as inhibition of p-tyramine oxidation to p-hydroxyphenyl-acetaldehyde after 15 mins by fluorimetric method


J Med Chem 54: 5165-73 (2011)


Article DOI: 10.1021/jm2004267
BindingDB Entry DOI: 10.7270/Q20865PP
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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Article
PubMed
n/an/a 6.87E+4n/an/an/an/an/an/a



Universidade do Porto

Curated by ChEMBL


Assay Description
Inhibition of human MAO-A assessed as inhibition of p-tyramine oxidation to p-hydroxyphenyl-acetaldehyde after 15 mins by fluorimetric method


J Med Chem 54: 5165-73 (2011)


Article DOI: 10.1021/jm2004267
BindingDB Entry DOI: 10.7270/Q20865PP
More data for this
Ligand-Target Pair