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Compile Data Set for Download or QSAR

Found 161 hits with Last Name = 'bizzarri' and Initial = 'b'   
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
Monoamine oxidase


(Bos taurus)
BDBM50121457
PNG
(1-[3-(2,4-Dihydroxy-phenyl)-5-m-tolyl-4,5-dihydro-...)
Show SMILES CC(=O)N1N=C(CC1c1cccc(C)c1)c1ccc(O)cc1O
Show InChI InChI=1S/C18H18N2O3/c1-11-4-3-5-13(8-11)17-10-16(19-20(17)12(2)21)15-7-6-14(22)9-18(15)23/h3-9,17,22-23H,10H2,1-2H3
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13n/an/an/an/an/an/an/an/a



Università di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibiting activityof the compound was determined against bovine Monoamine oxidase A


Bioorg Med Chem Lett 12: 3629-33 (2002)


Article DOI: 10.1016/s0960-894x(02)00699-6
BindingDB Entry DOI: 10.7270/Q22B8XD8
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50121456
PNG
(1-[3-(2,4-Dihydroxy-phenyl)-5-o-tolyl-4,5-dihydro-...)
Show SMILES CC(=O)N1N=C(CC1c1ccccc1C)c1ccc(O)cc1O
Show InChI InChI=1S/C18H18N2O3/c1-11-5-3-4-6-14(11)17-10-16(19-20(17)12(2)21)15-8-7-13(22)9-18(15)23/h3-9,17,22-23H,10H2,1-2H3
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30n/an/an/an/an/an/an/an/a



Università di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibiting activityof the compound was determined against human Monoamine oxidase B


Bioorg Med Chem Lett 12: 3629-33 (2002)


Article DOI: 10.1016/s0960-894x(02)00699-6
BindingDB Entry DOI: 10.7270/Q22B8XD8
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50121457
PNG
(1-[3-(2,4-Dihydroxy-phenyl)-5-m-tolyl-4,5-dihydro-...)
Show SMILES CC(=O)N1N=C(CC1c1cccc(C)c1)c1ccc(O)cc1O
Show InChI InChI=1S/C18H18N2O3/c1-11-4-3-5-13(8-11)17-10-16(19-20(17)12(2)21)15-7-6-14(22)9-18(15)23/h3-9,17,22-23H,10H2,1-2H3
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38n/an/an/an/an/an/an/an/a



Università di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibiting activityof the compound was determined against human Monoamine oxidase B


Bioorg Med Chem Lett 12: 3629-33 (2002)


Article DOI: 10.1016/s0960-894x(02)00699-6
BindingDB Entry DOI: 10.7270/Q22B8XD8
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50121457
PNG
(1-[3-(2,4-Dihydroxy-phenyl)-5-m-tolyl-4,5-dihydro-...)
Show SMILES CC(=O)N1N=C(CC1c1cccc(C)c1)c1ccc(O)cc1O
Show InChI InChI=1S/C18H18N2O3/c1-11-4-3-5-13(8-11)17-10-16(19-20(17)12(2)21)15-7-6-14(22)9-18(15)23/h3-9,17,22-23H,10H2,1-2H3
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50n/an/an/an/an/an/an/an/a



Università di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase from Bovine brain mitochondria


Bioorg Med Chem Lett 12: 3629-33 (2002)


Article DOI: 10.1016/s0960-894x(02)00699-6
BindingDB Entry DOI: 10.7270/Q22B8XD8
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50121456
PNG
(1-[3-(2,4-Dihydroxy-phenyl)-5-o-tolyl-4,5-dihydro-...)
Show SMILES CC(=O)N1N=C(CC1c1ccccc1C)c1ccc(O)cc1O
Show InChI InChI=1S/C18H18N2O3/c1-11-5-3-4-6-14(11)17-10-16(19-20(17)12(2)21)15-8-7-13(22)9-18(15)23/h3-9,17,22-23H,10H2,1-2H3
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52n/an/an/an/an/an/an/an/a



Università di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibiting activityof the compound was determined against bovine Monoamine oxidase A


Bioorg Med Chem Lett 12: 3629-33 (2002)


Article DOI: 10.1016/s0960-894x(02)00699-6
BindingDB Entry DOI: 10.7270/Q22B8XD8
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50121456
PNG
(1-[3-(2,4-Dihydroxy-phenyl)-5-o-tolyl-4,5-dihydro-...)
Show SMILES CC(=O)N1N=C(CC1c1ccccc1C)c1ccc(O)cc1O
Show InChI InChI=1S/C18H18N2O3/c1-11-5-3-4-6-14(11)17-10-16(19-20(17)12(2)21)15-8-7-13(22)9-18(15)23/h3-9,17,22-23H,10H2,1-2H3
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80n/an/an/an/an/an/an/an/a



Università di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase from Bovine brain mitochondria


Bioorg Med Chem Lett 12: 3629-33 (2002)


Article DOI: 10.1016/s0960-894x(02)00699-6
BindingDB Entry DOI: 10.7270/Q22B8XD8
More data for this
Ligand-Target Pair
Diamine oxidase (DAO)


(Homo sapiens (Human))
BDBM50121458
PNG
(1-[3-(2-Hydroxy-phenyl)-5-o-tolyl-4,5-dihydro-pyra...)
Show SMILES CC(=O)N1N=C(CC1c1ccccc1C)c1ccccc1O
Show InChI InChI=1S/C18H18N2O2/c1-12-7-3-4-8-14(12)17-11-16(19-20(17)13(2)21)15-9-5-6-10-18(15)22/h3-10,17,22H,11H2,1-2H3
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5.50E+3n/an/an/an/an/an/an/an/a



Università di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Swine kidney diamine oxidase (SKDAO)


Bioorg Med Chem Lett 12: 3629-33 (2002)


Article DOI: 10.1016/s0960-894x(02)00699-6
BindingDB Entry DOI: 10.7270/Q22B8XD8
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50121455
PNG
(1-[3-(2-Hydroxy-phenyl)-5-m-tolyl-4,5-dihydro-pyra...)
Show SMILES CC(=O)N1N=C(CC1c1cccc(C)c1)c1ccccc1O
Show InChI InChI=1S/C18H18N2O2/c1-12-6-5-7-14(10-12)17-11-16(19-20(17)13(2)21)15-8-3-4-9-18(15)22/h3-10,17,22H,11H2,1-2H3
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5.50E+3n/an/an/an/an/an/an/an/a



Università di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase from Bovine brain mitochondria


Bioorg Med Chem Lett 12: 3629-33 (2002)


Article DOI: 10.1016/s0960-894x(02)00699-6
BindingDB Entry DOI: 10.7270/Q22B8XD8
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50045442
PNG
(CHEMBL332286)
Show SMILES CC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C17H15ClN2O/c1-12(21)20-17(14-7-9-15(18)10-8-14)11-16(19-20)13-5-3-2-4-6-13/h2-10,17H,11H2,1H3
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6.00E+3n/an/an/an/an/an/an/an/a



Università di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase from Bovine brain mitochondria


Bioorg Med Chem Lett 12: 3629-33 (2002)


Article DOI: 10.1016/s0960-894x(02)00699-6
BindingDB Entry DOI: 10.7270/Q22B8XD8
More data for this
Ligand-Target Pair
Diamine oxidase (DAO)


(Homo sapiens (Human))
BDBM50121455
PNG
(1-[3-(2-Hydroxy-phenyl)-5-m-tolyl-4,5-dihydro-pyra...)
Show SMILES CC(=O)N1N=C(CC1c1cccc(C)c1)c1ccccc1O
Show InChI InChI=1S/C18H18N2O2/c1-12-6-5-7-14(10-12)17-11-16(19-20(17)13(2)21)15-8-3-4-9-18(15)22/h3-10,17,22H,11H2,1-2H3
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8.00E+3n/an/an/an/an/an/an/an/a



Università di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Swine kidney diamine oxidase (SKDAO)


Bioorg Med Chem Lett 12: 3629-33 (2002)


Article DOI: 10.1016/s0960-894x(02)00699-6
BindingDB Entry DOI: 10.7270/Q22B8XD8
More data for this
Ligand-Target Pair
Diamine oxidase (DAO)


(Homo sapiens (Human))
BDBM50121457
PNG
(1-[3-(2,4-Dihydroxy-phenyl)-5-m-tolyl-4,5-dihydro-...)
Show SMILES CC(=O)N1N=C(CC1c1cccc(C)c1)c1ccc(O)cc1O
Show InChI InChI=1S/C18H18N2O3/c1-11-4-3-5-13(8-11)17-10-16(19-20(17)12(2)21)15-7-6-14(22)9-18(15)23/h3-9,17,22-23H,10H2,1-2H3
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2.50E+4n/an/an/an/an/an/an/an/a



Università di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Swine kidney diamine oxidase (SKDAO)


Bioorg Med Chem Lett 12: 3629-33 (2002)


Article DOI: 10.1016/s0960-894x(02)00699-6
BindingDB Entry DOI: 10.7270/Q22B8XD8
More data for this
Ligand-Target Pair
Diamine oxidase (DAO)


(Homo sapiens (Human))
BDBM50121456
PNG
(1-[3-(2,4-Dihydroxy-phenyl)-5-o-tolyl-4,5-dihydro-...)
Show SMILES CC(=O)N1N=C(CC1c1ccccc1C)c1ccc(O)cc1O
Show InChI InChI=1S/C18H18N2O3/c1-11-5-3-4-6-14(11)17-10-16(19-20(17)12(2)21)15-8-7-13(22)9-18(15)23/h3-9,17,22-23H,10H2,1-2H3
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1.00E+5n/an/an/an/an/an/an/an/a



Università di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Swine kidney diamine oxidase (SKDAO)


Bioorg Med Chem Lett 12: 3629-33 (2002)


Article DOI: 10.1016/s0960-894x(02)00699-6
BindingDB Entry DOI: 10.7270/Q22B8XD8
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50218604
PNG
(CHEMBL331960)
Show SMILES CC(=O)N1N=C(CC1c1cccc(C)c1)c1ccccc1
Show InChI InChI=1S/C18H18N2O/c1-13-7-6-10-16(11-13)18-12-17(19-20(18)14(2)21)15-8-4-3-5-9-15/h3-11,18H,12H2,1-2H3
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2.00E+5n/an/an/an/an/an/an/an/a



Università di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase from Bovine brain mitochondria


Bioorg Med Chem Lett 12: 3629-33 (2002)


Article DOI: 10.1016/s0960-894x(02)00699-6
BindingDB Entry DOI: 10.7270/Q22B8XD8
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50121458
PNG
(1-[3-(2-Hydroxy-phenyl)-5-o-tolyl-4,5-dihydro-pyra...)
Show SMILES CC(=O)N1N=C(CC1c1ccccc1C)c1ccccc1O
Show InChI InChI=1S/C18H18N2O2/c1-12-7-3-4-8-14(12)17-11-16(19-20(17)13(2)21)15-9-5-6-10-18(15)22/h3-10,17,22H,11H2,1-2H3
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3.00E+5n/an/an/an/an/an/an/an/a



Università di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase at the selectivity factor of 4000


Bioorg Med Chem Lett 12: 3629-33 (2002)


Article DOI: 10.1016/s0960-894x(02)00699-6
BindingDB Entry DOI: 10.7270/Q22B8XD8
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM29171
PNG
(3-carboxamido coumarin, 21)
Show SMILES CS(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1
Show InChI InChI=1S/C17H13NO5S/c1-24(21,22)13-8-6-12(7-9-13)18-16(19)14-10-11-4-2-3-5-15(11)23-17(14)20/h2-10H,1H3,(H,18,19)
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n/an/a 1.40n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza



Assay Description
The effects of the test compounds on hMAO isoform enzymatic activity were evaluated by measuring their effects on the production of hydrogen peroxide...


J Med Chem 52: 1935-42 (2009)


Article DOI: 10.1021/jm801496u
BindingDB Entry DOI: 10.7270/Q2SF2THN
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 4.46n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA


Eur J Med Chem 45: 800-4 (2010)


Article DOI: 10.1016/j.ejmech.2009.11.003
BindingDB Entry DOI: 10.7270/Q2CR5TH5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM29168
PNG
(3-carboxamido coumarin, 18)
Show SMILES Fc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1
Show InChI InChI=1S/C16H10FNO3/c17-11-5-7-12(8-6-11)18-15(19)13-9-10-3-1-2-4-14(10)21-16(13)20/h1-9H,(H,18,19)
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n/an/a 67n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza



Assay Description
The effects of the test compounds on hMAO isoform enzymatic activity were evaluated by measuring their effects on the production of hydrogen peroxide...


J Med Chem 52: 1935-42 (2009)


Article DOI: 10.1021/jm801496u
BindingDB Entry DOI: 10.7270/Q2SF2THN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM29161
PNG
(3-carboxamido coumarin, 11)
Show SMILES FC(F)(F)c1cccc(NC(=O)c2cc3ccccc3oc2=O)c1
Show InChI InChI=1S/C17H10F3NO3/c18-17(19,20)11-5-3-6-12(9-11)21-15(22)13-8-10-4-1-2-7-14(10)24-16(13)23/h1-9H,(H,21,22)
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n/an/a 250n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza



Assay Description
The effects of the test compounds on hMAO isoform enzymatic activity were evaluated by measuring their effects on the production of hydrogen peroxide...


J Med Chem 52: 1935-42 (2009)


Article DOI: 10.1021/jm801496u
BindingDB Entry DOI: 10.7270/Q2SF2THN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM29160
PNG
(3-carboxamido coumarin, 10)
Show SMILES Fc1cccc(NC(=O)c2cc3ccccc3oc2=O)c1
Show InChI InChI=1S/C16H10FNO3/c17-11-5-3-6-12(9-11)18-15(19)13-8-10-4-1-2-7-14(10)21-16(13)20/h1-9H,(H,18,19)
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n/an/a 250n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza



Assay Description
The effects of the test compounds on hMAO isoform enzymatic activity were evaluated by measuring their effects on the production of hydrogen peroxide...


J Med Chem 52: 1935-42 (2009)


Article DOI: 10.1021/jm801496u
BindingDB Entry DOI: 10.7270/Q2SF2THN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM29179
PNG
(3-carboxamido coumarin, 29)
Show SMILES Cc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1C
Show InChI InChI=1S/C18H15NO3/c1-11-7-8-14(9-12(11)2)19-17(20)15-10-13-5-3-4-6-16(13)22-18(15)21/h3-10H,1-2H3,(H,19,20)
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n/an/a 380n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza



Assay Description
The effects of the test compounds on hMAO isoform enzymatic activity were evaluated by measuring their effects on the production of hydrogen peroxide...


J Med Chem 52: 1935-42 (2009)


Article DOI: 10.1021/jm801496u
BindingDB Entry DOI: 10.7270/Q2SF2THN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM29183
PNG
(3-carboxamido coumarin, 33)
Show SMILES Fc1c(F)c(F)c(NC(=O)c2cc3ccccc3oc2=O)c(F)c1F
Show InChI InChI=1S/C16H6F5NO3/c17-9-10(18)12(20)14(13(21)11(9)19)22-15(23)7-5-6-3-1-2-4-8(6)25-16(7)24/h1-5H,(H,22,23)
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n/an/a 460n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza



Assay Description
The effects of the test compounds on hMAO isoform enzymatic activity were evaluated by measuring their effects on the production of hydrogen peroxide...


J Med Chem 52: 1935-42 (2009)


Article DOI: 10.1021/jm801496u
BindingDB Entry DOI: 10.7270/Q2SF2THN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM29152
PNG
(3-carboxamido coumarin, 1)
Show SMILES O=C(NC1CCCCC1)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C16H17NO3/c18-15(17-12-7-2-1-3-8-12)13-10-11-6-4-5-9-14(11)20-16(13)19/h4-6,9-10,12H,1-3,7-8H2,(H,17,18)
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n/an/a 500n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza



Assay Description
The effects of the test compounds on hMAO isoform enzymatic activity were evaluated by measuring their effects on the production of hydrogen peroxide...


J Med Chem 52: 1935-42 (2009)


Article DOI: 10.1021/jm801496u
BindingDB Entry DOI: 10.7270/Q2SF2THN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM29185
PNG
(3-carboxamido coumarin, 35)
Show SMILES Fc1nc(F)c(F)c(NC(=O)c2cc3ccccc3oc2=O)c1F
Show InChI InChI=1S/C15H6F4N2O3/c16-9-11(10(17)13(19)21-12(9)18)20-14(22)7-5-6-3-1-2-4-8(6)24-15(7)23/h1-5H,(H,20,21,22)
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n/an/a 580n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza



Assay Description
The effects of the test compounds on hMAO isoform enzymatic activity were evaluated by measuring their effects on the production of hydrogen peroxide...


J Med Chem 52: 1935-42 (2009)


Article DOI: 10.1021/jm801496u
BindingDB Entry DOI: 10.7270/Q2SF2THN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM29158
PNG
(3-carboxamido coumarin, 8)
Show SMILES Cc1cccc(NC(=O)c2cc3ccccc3oc2=O)c1
Show InChI InChI=1S/C17H13NO3/c1-11-5-4-7-13(9-11)18-16(19)14-10-12-6-2-3-8-15(12)21-17(14)20/h2-10H,1H3,(H,18,19)
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n/an/a 600n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza



Assay Description
The effects of the test compounds on hMAO isoform enzymatic activity were evaluated by measuring their effects on the production of hydrogen peroxide...


J Med Chem 52: 1935-42 (2009)


Article DOI: 10.1021/jm801496u
BindingDB Entry DOI: 10.7270/Q2SF2THN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM29159
PNG
(3-carboxamido coumarin, 9)
Show SMILES COc1cccc(NC(=O)c2cc3ccccc3oc2=O)c1
Show InChI InChI=1S/C17H13NO4/c1-21-13-7-4-6-12(10-13)18-16(19)14-9-11-5-2-3-8-15(11)22-17(14)20/h2-10H,1H3,(H,18,19)
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n/an/a 640n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza



Assay Description
The effects of the test compounds on hMAO isoform enzymatic activity were evaluated by measuring their effects on the production of hydrogen peroxide...


J Med Chem 52: 1935-42 (2009)


Article DOI: 10.1021/jm801496u
BindingDB Entry DOI: 10.7270/Q2SF2THN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM29164
PNG
(3-carboxamido coumarin, 14)
Show SMILES CC(C)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1
Show InChI InChI=1S/C19H17NO3/c1-12(2)13-7-9-15(10-8-13)20-18(21)16-11-14-5-3-4-6-17(14)23-19(16)22/h3-12H,1-2H3,(H,20,21)
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n/an/a 650n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza



Assay Description
The effects of the test compounds on hMAO isoform enzymatic activity were evaluated by measuring their effects on the production of hydrogen peroxide...


J Med Chem 52: 1935-42 (2009)


Article DOI: 10.1021/jm801496u
BindingDB Entry DOI: 10.7270/Q2SF2THN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM29181
PNG
(3-carboxamido coumarin, 31)
Show SMILES Cc1cc(C)cc(NC(=O)c2cc3ccccc3oc2=O)c1
Show InChI InChI=1S/C18H15NO3/c1-11-7-12(2)9-14(8-11)19-17(20)15-10-13-5-3-4-6-16(13)22-18(15)21/h3-10H,1-2H3,(H,19,20)
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n/an/a 700n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza



Assay Description
The effects of the test compounds on hMAO isoform enzymatic activity were evaluated by measuring their effects on the production of hydrogen peroxide...


J Med Chem 52: 1935-42 (2009)


Article DOI: 10.1021/jm801496u
BindingDB Entry DOI: 10.7270/Q2SF2THN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM29162
PNG
(3-carboxamido coumarin, 12)
Show SMILES Cc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1
Show InChI InChI=1S/C17H13NO3/c1-11-6-8-13(9-7-11)18-16(19)14-10-12-4-2-3-5-15(12)21-17(14)20/h2-10H,1H3,(H,18,19)
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n/an/a 710n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza



Assay Description
The effects of the test compounds on hMAO isoform enzymatic activity were evaluated by measuring their effects on the production of hydrogen peroxide...


J Med Chem 52: 1935-42 (2009)


Article DOI: 10.1021/jm801496u
BindingDB Entry DOI: 10.7270/Q2SF2THN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM23543
PNG
(2-oxo-N-phenyl-2H-chromene-3-carboxamide | 3-Carbo...)
Show SMILES O=C(Nc1ccccc1)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C16H11NO3/c18-15(17-12-7-2-1-3-8-12)13-10-11-6-4-5-9-14(11)20-16(13)19/h1-10H,(H,17,18)
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n/an/a 760n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza



Assay Description
The effects of the test compounds on hMAO isoform enzymatic activity were evaluated by measuring their effects on the production of hydrogen peroxide...


J Med Chem 52: 1935-42 (2009)


Article DOI: 10.1021/jm801496u
BindingDB Entry DOI: 10.7270/Q2SF2THN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM29172
PNG
(3-carboxamido coumarin, 22)
Show SMILES Oc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1
Show InChI InChI=1S/C16H11NO4/c18-12-7-5-11(6-8-12)17-15(19)13-9-10-3-1-2-4-14(10)21-16(13)20/h1-9,18H,(H,17,19)
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n/an/a 800n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza



Assay Description
The effects of the test compounds on hMAO isoform enzymatic activity were evaluated by measuring their effects on the production of hydrogen peroxide...


J Med Chem 52: 1935-42 (2009)


Article DOI: 10.1021/jm801496u
BindingDB Entry DOI: 10.7270/Q2SF2THN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM29166
PNG
(3-carboxamido coumarin, 16)
Show SMILES COc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1
Show InChI InChI=1S/C17H13NO4/c1-21-13-8-6-12(7-9-13)18-16(19)14-10-11-4-2-3-5-15(11)22-17(14)20/h2-10H,1H3,(H,18,19)
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n/an/a 820n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza



Assay Description
The effects of the test compounds on hMAO isoform enzymatic activity were evaluated by measuring their effects on the production of hydrogen peroxide...


J Med Chem 52: 1935-42 (2009)


Article DOI: 10.1021/jm801496u
BindingDB Entry DOI: 10.7270/Q2SF2THN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM29184
PNG
(3-carboxamido coumarin, 34)
Show SMILES Fc1c(F)c(C#N)c(F)c(F)c1NC(=O)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C17H6F4N2O3/c18-11-9(6-22)12(19)14(21)15(13(11)20)23-16(24)8-5-7-3-1-2-4-10(7)26-17(8)25/h1-5H,(H,23,24)
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n/an/a 860n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza



Assay Description
The effects of the test compounds on hMAO isoform enzymatic activity were evaluated by measuring their effects on the production of hydrogen peroxide...


J Med Chem 52: 1935-42 (2009)


Article DOI: 10.1021/jm801496u
BindingDB Entry DOI: 10.7270/Q2SF2THN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM29180
PNG
(3-carboxamido coumarin, 30)
Show SMILES COc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1OC
Show InChI InChI=1S/C18H15NO5/c1-22-15-8-7-12(10-16(15)23-2)19-17(20)13-9-11-5-3-4-6-14(11)24-18(13)21/h3-10H,1-2H3,(H,19,20)
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n/an/a 860n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza



Assay Description
The effects of the test compounds on hMAO isoform enzymatic activity were evaluated by measuring their effects on the production of hydrogen peroxide...


J Med Chem 52: 1935-42 (2009)


Article DOI: 10.1021/jm801496u
BindingDB Entry DOI: 10.7270/Q2SF2THN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM29163
PNG
(3-carboxamido coumarin, 13)
Show SMILES CCc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1
Show InChI InChI=1S/C18H15NO3/c1-2-12-7-9-14(10-8-12)19-17(20)15-11-13-5-3-4-6-16(13)22-18(15)21/h3-11H,2H2,1H3,(H,19,20)
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n/an/a 890n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza



Assay Description
The effects of the test compounds on hMAO isoform enzymatic activity were evaluated by measuring their effects on the production of hydrogen peroxide...


J Med Chem 52: 1935-42 (2009)


Article DOI: 10.1021/jm801496u
BindingDB Entry DOI: 10.7270/Q2SF2THN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM29157
PNG
(3-carboxamido coumarin, 7)
Show SMILES O=C(Nc1ccccc1Cc1ccccc1)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C23H17NO3/c25-22(19-15-18-11-5-7-13-21(18)27-23(19)26)24-20-12-6-4-10-17(20)14-16-8-2-1-3-9-16/h1-13,15H,14H2,(H,24,25)
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n/an/a 910n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza



Assay Description
The effects of the test compounds on hMAO isoform enzymatic activity were evaluated by measuring their effects on the production of hydrogen peroxide...


J Med Chem 52: 1935-42 (2009)


Article DOI: 10.1021/jm801496u
BindingDB Entry DOI: 10.7270/Q2SF2THN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM29200
PNG
(3-carboxamido coumarin, 50)
Show SMILES O=C(NCc1ccccc1)c1cc2ccc(OCc3ccccc3)cc2oc1=O
Show InChI InChI=1S/C24H19NO4/c26-23(25-15-17-7-3-1-4-8-17)21-13-19-11-12-20(14-22(19)29-24(21)27)28-16-18-9-5-2-6-10-18/h1-14H,15-16H2,(H,25,26)
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n/an/a 990n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza



Assay Description
The effects of the test compounds on hMAO isoform enzymatic activity were evaluated by measuring their effects on the production of hydrogen peroxide...


J Med Chem 52: 1935-42 (2009)


Article DOI: 10.1021/jm801496u
BindingDB Entry DOI: 10.7270/Q2SF2THN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM29169
PNG
(3-carboxamido coumarin, 19)
Show SMILES OC(=O)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1
Show InChI InChI=1S/C17H11NO5/c19-15(18-12-7-5-10(6-8-12)16(20)21)13-9-11-3-1-2-4-14(11)23-17(13)22/h1-9H,(H,18,19)(H,20,21)
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n/an/a 1.14E+3n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza



Assay Description
The effects of the test compounds on hMAO isoform enzymatic activity were evaluated by measuring their effects on the production of hydrogen peroxide...


J Med Chem 52: 1935-42 (2009)


Article DOI: 10.1021/jm801496u
BindingDB Entry DOI: 10.7270/Q2SF2THN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM29177
PNG
(3-carboxamido coumarin, 27)
Show SMILES Cc1cccc(C)c1NC(=O)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C18H15NO3/c1-11-6-5-7-12(2)16(11)19-17(20)14-10-13-8-3-4-9-15(13)22-18(14)21/h3-10H,1-2H3,(H,19,20)
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n/an/a 1.29E+3n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza



Assay Description
The effects of the test compounds on hMAO isoform enzymatic activity were evaluated by measuring their effects on the production of hydrogen peroxide...


J Med Chem 52: 1935-42 (2009)


Article DOI: 10.1021/jm801496u
BindingDB Entry DOI: 10.7270/Q2SF2THN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM29186
PNG
(3-carboxamido coumarin, 36)
Show SMILES O=C(NCc1ccccc1)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C17H13NO3/c19-16(18-11-12-6-2-1-3-7-12)14-10-13-8-4-5-9-15(13)21-17(14)20/h1-10H,11H2,(H,18,19)
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n/an/a 1.96E+3n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza



Assay Description
The effects of the test compounds on hMAO isoform enzymatic activity were evaluated by measuring their effects on the production of hydrogen peroxide...


J Med Chem 52: 1935-42 (2009)


Article DOI: 10.1021/jm801496u
BindingDB Entry DOI: 10.7270/Q2SF2THN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM29208
PNG
(3-carboxamido coumarin, 58)
Show SMILES CN(C(=O)c1cc2ccc(OCc3ccccc3)cc2oc1=O)c1ccccc1
Show InChI InChI=1S/C24H19NO4/c1-25(19-10-6-3-7-11-19)23(26)21-14-18-12-13-20(15-22(18)29-24(21)27)28-16-17-8-4-2-5-9-17/h2-15H,16H2,1H3
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n/an/a 2.37E+3n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza



Assay Description
The effects of the test compounds on hMAO isoform enzymatic activity were evaluated by measuring their effects on the production of hydrogen peroxide...


J Med Chem 52: 1935-42 (2009)


Article DOI: 10.1021/jm801496u
BindingDB Entry DOI: 10.7270/Q2SF2THN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50312367
PNG
(5-(4-fluorophenyl)-3-(furan-2-yl)-4,5-dihydro-1H-p...)
Show SMILES NC(=S)N1N=C(CC1c1ccc(F)cc1)c1ccco1
Show InChI InChI=1S/C14H12FN3OS/c15-10-5-3-9(4-6-10)12-8-11(13-2-1-7-19-13)17-18(12)14(16)20/h1-7,12H,8H2,(H2,16,20)
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n/an/a 2.75E+3n/an/an/an/an/an/a



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Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB


Eur J Med Chem 45: 800-4 (2010)


Article DOI: 10.1016/j.ejmech.2009.11.003
BindingDB Entry DOI: 10.7270/Q2CR5TH5
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM29167
PNG
(3-carboxamido coumarin, 17)
Show SMILES CSc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1
Show InChI InChI=1S/C17H13NO3S/c1-22-13-8-6-12(7-9-13)18-16(19)14-10-11-4-2-3-5-15(11)21-17(14)20/h2-10H,1H3,(H,18,19)
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n/an/a 2.84E+3n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza



Assay Description
The effects of the test compounds on hMAO isoform enzymatic activity were evaluated by measuring their effects on the production of hydrogen peroxide...


J Med Chem 52: 1935-42 (2009)


Article DOI: 10.1021/jm801496u
BindingDB Entry DOI: 10.7270/Q2SF2THN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM29205
PNG
(3-carboxamido coumarin, 55)
Show SMILES COc1ccc(NC(=O)c2cc3ccc(OCc4ccc(F)cc4)cc3oc2=O)cc1OC
Show InChI InChI=1S/C25H20FNO6/c1-30-21-10-8-18(12-23(21)31-2)27-24(28)20-11-16-5-9-19(13-22(16)33-25(20)29)32-14-15-3-6-17(26)7-4-15/h3-13H,14H2,1-2H3,(H,27,28)
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n/an/a 2.87E+3n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza



Assay Description
The effects of the test compounds on hMAO isoform enzymatic activity were evaluated by measuring their effects on the production of hydrogen peroxide...


J Med Chem 52: 1935-42 (2009)


Article DOI: 10.1021/jm801496u
BindingDB Entry DOI: 10.7270/Q2SF2THN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM29154
PNG
(3-carboxamido coumarin, 3)
Show SMILES CC(C)CNC(=O)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C14H15NO3/c1-9(2)8-15-13(16)11-7-10-5-3-4-6-12(10)18-14(11)17/h3-7,9H,8H2,1-2H3,(H,15,16)
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n/an/a 3.27E+3n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza



Assay Description
The effects of the test compounds on hMAO isoform enzymatic activity were evaluated by measuring their effects on the production of hydrogen peroxide...


J Med Chem 52: 1935-42 (2009)


Article DOI: 10.1021/jm801496u
BindingDB Entry DOI: 10.7270/Q2SF2THN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM29199
PNG
(3-carboxamido coumarin, 49)
Show SMILES COc1cc(NC(=O)c2cc3ccc(OCc4ccccc4)cc3oc2=O)cc(OC)c1
Show InChI InChI=1S/C25H21NO6/c1-29-20-11-18(12-21(13-20)30-2)26-24(27)22-10-17-8-9-19(14-23(17)32-25(22)28)31-15-16-6-4-3-5-7-16/h3-14H,15H2,1-2H3,(H,26,27)
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n/an/a 3.36E+3n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza



Assay Description
The effects of the test compounds on hMAO isoform enzymatic activity were evaluated by measuring their effects on the production of hydrogen peroxide...


J Med Chem 52: 1935-42 (2009)


Article DOI: 10.1021/jm801496u
BindingDB Entry DOI: 10.7270/Q2SF2THN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM29202
PNG
(3-carboxamido coumarin, 52)
Show SMILES Fc1ccc(COc2ccc3cc(C(=O)Nc4c(F)c(F)c(C#N)c(F)c4F)c(=O)oc3c2)cc1
Show InChI InChI=1S/C24H11F5N2O4/c25-13-4-1-11(2-5-13)10-34-14-6-3-12-7-15(24(33)35-17(12)8-14)23(32)31-22-20(28)18(26)16(9-30)19(27)21(22)29/h1-8H,10H2,(H,31,32)
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n/an/a 3.45E+3n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza



Assay Description
The effects of the test compounds on hMAO isoform enzymatic activity were evaluated by measuring their effects on the production of hydrogen peroxide...


J Med Chem 52: 1935-42 (2009)


Article DOI: 10.1021/jm801496u
BindingDB Entry DOI: 10.7270/Q2SF2THN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM29194
PNG
(3-carboxamido coumarin, 44)
Show SMILES CC(C)c1ccc(NC(=O)c2cc3ccc(OCc4ccccc4)cc3oc2=O)cc1
Show InChI InChI=1S/C26H23NO4/c1-17(2)19-8-11-21(12-9-19)27-25(28)23-14-20-10-13-22(15-24(20)31-26(23)29)30-16-18-6-4-3-5-7-18/h3-15,17H,16H2,1-2H3,(H,27,28)
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n/an/a 3.69E+3n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza



Assay Description
The effects of the test compounds on hMAO isoform enzymatic activity were evaluated by measuring their effects on the production of hydrogen peroxide...


J Med Chem 52: 1935-42 (2009)


Article DOI: 10.1021/jm801496u
BindingDB Entry DOI: 10.7270/Q2SF2THN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM29182
PNG
(3-carboxamido coumarin, 32)
Show SMILES COc1cc(NC(=O)c2cc3ccccc3oc2=O)cc(OC)c1
Show InChI InChI=1S/C18H15NO5/c1-22-13-8-12(9-14(10-13)23-2)19-17(20)15-7-11-5-3-4-6-16(11)24-18(15)21/h3-10H,1-2H3,(H,19,20)
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n/an/a 4.18E+3n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza



Assay Description
The effects of the test compounds on hMAO isoform enzymatic activity were evaluated by measuring their effects on the production of hydrogen peroxide...


J Med Chem 52: 1935-42 (2009)


Article DOI: 10.1021/jm801496u
BindingDB Entry DOI: 10.7270/Q2SF2THN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM29198
PNG
(3-carboxamido coumarin, 48)
Show SMILES COc1ccc(NC(=O)c2cc3ccc(OCc4ccccc4)cc3oc2=O)cc1OC
Show InChI InChI=1S/C25H21NO6/c1-29-21-11-9-18(13-23(21)30-2)26-24(27)20-12-17-8-10-19(14-22(17)32-25(20)28)31-15-16-6-4-3-5-7-16/h3-14H,15H2,1-2H3,(H,26,27)
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n/an/a 4.39E+3n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza



Assay Description
The effects of the test compounds on hMAO isoform enzymatic activity were evaluated by measuring their effects on the production of hydrogen peroxide...


J Med Chem 52: 1935-42 (2009)


Article DOI: 10.1021/jm801496u
BindingDB Entry DOI: 10.7270/Q2SF2THN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM29201
PNG
(3-carboxamido coumarin, 51)
Show SMILES O=C(NNc1ccccc1)c1cc2ccc(OCc3ccccc3)cc2oc1=O
Show InChI InChI=1S/C23H18N2O4/c26-22(25-24-18-9-5-2-6-10-18)20-13-17-11-12-19(14-21(17)29-23(20)27)28-15-16-7-3-1-4-8-16/h1-14,24H,15H2,(H,25,26)
PDB

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UniChem
Article
PubMed
n/an/a 4.52E+3n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza



Assay Description
The effects of the test compounds on hMAO isoform enzymatic activity were evaluated by measuring their effects on the production of hydrogen peroxide...


J Med Chem 52: 1935-42 (2009)


Article DOI: 10.1021/jm801496u
BindingDB Entry DOI: 10.7270/Q2SF2THN
More data for this
Ligand-Target Pair
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