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PubMed code 21405131

Compile data set for download or QSAR
Found 39 hits of Enzyme Inhibition Constant Data   
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] 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



Universita` La Sapienza di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI-TN-5B1-4 insect sells assessed as hydrogen peroxide production by fluorim...

J Med Chem 54: 2155-64 (2011)


Article DOI: 10.1021/jm1013709
BindingDB Entry DOI: 10.7270/Q2902435
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50341666
PNG
((E)-3-(4-(Dimethylamino)benzylidene)chroman-4-one ...)
Show SMILES CN(C)c1ccc(\C=C2/COc3ccccc3C2=O)cc1
Show InChI InChI=1S/C18H17NO2/c1-19(2)15-9-7-13(8-10-15)11-14-12-21-17-6-4-3-5-16(17)18(14)20/h3-11H,12H2,1-2H3/b14-11+
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n/an/a 8.51n/an/an/an/an/an/a



Universita` La Sapienza di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect sells assessed as hydrogen peroxide production by fluorim...

J Med Chem 54: 2155-64 (2011)


Article DOI: 10.1021/jm1013709
BindingDB Entry DOI: 10.7270/Q2902435
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50341670
PNG
((E)-5,7-dihydroxy-3-(4-hydroxybenzylidene)chroman-...)
Show SMILES Oc1ccc(\C=C2/COc3cc(O)cc(O)c3C2=O)cc1
Show InChI InChI=1S/C16H12O5/c17-11-3-1-9(2-4-11)5-10-8-21-14-7-12(18)6-13(19)15(14)16(10)20/h1-7,17-19H,8H2/b10-5+
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n/an/a 8.61n/an/an/an/an/an/a



Universita` La Sapienza di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect sells assessed as hydrogen peroxide production by fluorim...

J Med Chem 54: 2155-64 (2011)


Article DOI: 10.1021/jm1013709
BindingDB Entry DOI: 10.7270/Q2902435
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50341673
PNG
((E)-5,7-dichloro-3-(4-chlorobenzylidene)chroman-4-...)
Show SMILES Clc1ccc(\C=C2/COc3cc(Cl)cc(Cl)c3C2=O)cc1
Show InChI InChI=1S/C16H9Cl3O2/c17-11-3-1-9(2-4-11)5-10-8-21-14-7-12(18)6-13(19)15(14)16(10)20/h1-7H,8H2/b10-5+
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n/an/a 13.0n/an/an/an/an/an/a



Universita` La Sapienza di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect sells assessed as hydrogen peroxide production by fluorim...

J Med Chem 54: 2155-64 (2011)


Article DOI: 10.1021/jm1013709
BindingDB Entry DOI: 10.7270/Q2902435
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 19.6n/an/an/an/an/an/a



Universita` La Sapienza di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect sells assessed as hydrogen peroxide production by fluorim...

J Med Chem 54: 2155-64 (2011)


Article DOI: 10.1021/jm1013709
BindingDB Entry DOI: 10.7270/Q2902435
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50341674
PNG
((E)-6-chloro-3-(4-chlorobenzylidene)chroman-4-one ...)
Show SMILES Clc1ccc(\C=C2/COc3ccc(Cl)cc3C2=O)cc1
Show InChI InChI=1S/C16H10Cl2O2/c17-12-3-1-10(2-4-12)7-11-9-20-15-6-5-13(18)8-14(15)16(11)19/h1-8H,9H2/b11-7+
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n/an/a 31.8n/an/an/an/an/an/a



Universita` La Sapienza di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect sells assessed as hydrogen peroxide production by fluorim...

J Med Chem 54: 2155-64 (2011)


Article DOI: 10.1021/jm1013709
BindingDB Entry DOI: 10.7270/Q2902435
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50341676
PNG
((E)-3-(4-hydroxybenzylidene)chroman-4-one | CHEMBL...)
Show SMILES Oc1ccc(\C=C2/COc3ccccc3C2=O)cc1
Show InChI InChI=1S/C16H12O3/c17-13-7-5-11(6-8-13)9-12-10-19-15-4-2-1-3-14(15)16(12)18/h1-9,17H,10H2/b12-9+
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n/an/a 55.4n/an/an/an/an/an/a



Universita` La Sapienza di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect sells assessed as hydrogen peroxide production by fluorim...

J Med Chem 54: 2155-64 (2011)


Article DOI: 10.1021/jm1013709
BindingDB Entry DOI: 10.7270/Q2902435
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50341672
PNG
((E)-3-(4-methoxybenzylidene)chroman-4-one | 3-(4-M...)
Show SMILES COc1ccc(\C=C2/COc3ccccc3C2=O)cc1
Show InChI InChI=1S/C17H14O3/c1-19-14-8-6-12(7-9-14)10-13-11-20-16-5-3-2-4-15(16)17(13)18/h2-10H,11H2,1H3/b13-10+
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n/an/a 58.9n/an/an/an/an/an/a



Universita` La Sapienza di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect sells assessed as hydrogen peroxide production by fluorim...

J Med Chem 54: 2155-64 (2011)


Article DOI: 10.1021/jm1013709
BindingDB Entry DOI: 10.7270/Q2902435
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50341665
PNG
((E)-3-(4-Hydroxy-3-methoxybenzylidene)chroman-4-on...)
Show SMILES COc1cc(\C=C2/COc3ccccc3C2=O)ccc1O
Show InChI InChI=1S/C17H14O4/c1-20-16-9-11(6-7-14(16)18)8-12-10-21-15-5-3-2-4-13(15)17(12)19/h2-9,18H,10H2,1H3/b12-8+
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n/an/a 104n/an/an/an/an/an/a



Universita` La Sapienza di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect sells assessed as hydrogen peroxide production by fluorim...

J Med Chem 54: 2155-64 (2011)


Article DOI: 10.1021/jm1013709
BindingDB Entry DOI: 10.7270/Q2902435
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50341663
PNG
((E)-3-(3,4-Dihydroxybenzylidene)chroman-4-one | CH...)
Show SMILES Oc1ccc(\C=C2/COc3ccccc3C2=O)cc1O
Show InChI InChI=1S/C16H12O4/c17-13-6-5-10(8-14(13)18)7-11-9-20-15-4-2-1-3-12(15)16(11)19/h1-8,17-18H,9H2/b11-7+
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n/an/a 141n/an/an/an/an/an/a



Universita` La Sapienza di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect sells assessed as hydrogen peroxide production by fluorim...

J Med Chem 54: 2155-64 (2011)


Article DOI: 10.1021/jm1013709
BindingDB Entry DOI: 10.7270/Q2902435
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50341675
PNG
((E)-3-(4-chlorobenzylidene)chroman-4-one | 3-(4-Ch...)
Show SMILES Clc1ccc(\C=C2/COc3ccccc3C2=O)cc1
Show InChI InChI=1S/C16H11ClO2/c17-13-7-5-11(6-8-13)9-12-10-19-15-4-2-1-3-14(15)16(12)18/h1-9H,10H2/b12-9+
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n/an/a 154n/an/an/an/an/an/a



Universita` La Sapienza di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect sells assessed as hydrogen peroxide production by fluorim...

J Med Chem 54: 2155-64 (2011)


Article DOI: 10.1021/jm1013709
BindingDB Entry DOI: 10.7270/Q2902435
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50341655
PNG
(5,7-dichloro-3-(4-chlorobenzyl)-4H-chromen-4-one |...)
Show SMILES Clc1ccc(Cc2coc3cc(Cl)cc(Cl)c3c2=O)cc1
Show InChI InChI=1S/C16H9Cl3O2/c17-11-3-1-9(2-4-11)5-10-8-21-14-7-12(18)6-13(19)15(14)16(10)20/h1-4,6-8H,5H2
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n/an/a 239n/an/an/an/an/an/a



Universita` La Sapienza di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect sells assessed as hydrogen peroxide production by fluorim...

J Med Chem 54: 2155-64 (2011)


Article DOI: 10.1021/jm1013709
BindingDB Entry DOI: 10.7270/Q2902435
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50341659
PNG
((E)-3-(2,4-Dimethoxybenzylidene)chroman-4-one | 3-...)
Show SMILES COc1ccc(\C=C2/COc3ccccc3C2=O)c(OC)c1
Show InChI InChI=1S/C18H16O4/c1-20-14-8-7-12(17(10-14)21-2)9-13-11-22-16-6-4-3-5-15(16)18(13)19/h3-10H,11H2,1-2H3/b13-9+
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n/an/a 248n/an/an/an/an/an/a



Universita` La Sapienza di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect sells assessed as hydrogen peroxide production by fluorim...

J Med Chem 54: 2155-64 (2011)


Article DOI: 10.1021/jm1013709
BindingDB Entry DOI: 10.7270/Q2902435
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50341669
PNG
((E)-3-Benzylidene-6-chlorochroman-4-one | CHEMBL17...)
Show SMILES Clc1ccc2OC\C(=C/c3ccccc3)C(=O)c2c1
Show InChI InChI=1S/C16H11ClO2/c17-13-6-7-15-14(9-13)16(18)12(10-19-15)8-11-4-2-1-3-5-11/h1-9H,10H2/b12-8+
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n/an/a 331n/an/an/an/an/an/a



Universita` La Sapienza di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect sells assessed as hydrogen peroxide production by fluorim...

J Med Chem 54: 2155-64 (2011)


Article DOI: 10.1021/jm1013709
BindingDB Entry DOI: 10.7270/Q2902435
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50341664
PNG
((E)-3-(3-Hydroxy-4-methoxybenzylidene)chroman-4-on...)
Show SMILES COc1ccc(\C=C2/COc3ccccc3C2=O)cc1O
Show InChI InChI=1S/C17H14O4/c1-20-16-7-6-11(9-14(16)18)8-12-10-21-15-5-3-2-4-13(15)17(12)19/h2-9,18H,10H2,1H3/b12-8+
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n/an/a 477n/an/an/an/an/an/a



Universita` La Sapienza di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect sells assessed as hydrogen peroxide production by fluorim...

J Med Chem 54: 2155-64 (2011)


Article DOI: 10.1021/jm1013709
BindingDB Entry DOI: 10.7270/Q2902435
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50341677
PNG
((E)-3-benzylidenechroman-4-one | CHEMBL1766549)
Show SMILES O=C1\C(COc2ccccc12)=C\c1ccccc1
Show InChI InChI=1S/C16H12O2/c17-16-13(10-12-6-2-1-3-7-12)11-18-15-9-5-4-8-14(15)16/h1-10H,11H2/b13-10+
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n/an/a 480n/an/an/an/an/an/a



Universita` La Sapienza di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect sells assessed as hydrogen peroxide production by fluorim...

J Med Chem 54: 2155-64 (2011)


Article DOI: 10.1021/jm1013709
BindingDB Entry DOI: 10.7270/Q2902435
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50341661
PNG
((E)-3-(3-Amino-4-hydroxybenzylidene)chroman-4-one ...)
Show SMILES Nc1cc(\C=C2/COc3ccccc3C2=O)ccc1O
Show InChI InChI=1S/C16H13NO3/c17-13-8-10(5-6-14(13)18)7-11-9-20-15-4-2-1-3-12(15)16(11)19/h1-8,18H,9,17H2/b11-7+
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n/an/a 484n/an/an/an/an/an/a



Universita` La Sapienza di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect sells assessed as hydrogen peroxide production by fluorim...

J Med Chem 54: 2155-64 (2011)


Article DOI: 10.1021/jm1013709
BindingDB Entry DOI: 10.7270/Q2902435
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50341662
PNG
((E)-3-(4-Hydroxy-3-nitrobenzylidene)chroman-4-one ...)
Show SMILES Oc1ccc(\C=C2/COc3ccccc3C2=O)cc1[N+]([O-])=O
Show InChI InChI=1S/C16H11NO5/c18-14-6-5-10(8-13(14)17(20)21)7-11-9-22-15-4-2-1-3-12(15)16(11)19/h1-8,18H,9H2/b11-7+
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n/an/a 491n/an/an/an/an/an/a



Universita` La Sapienza di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect sells assessed as hydrogen peroxide production by fluorim...

J Med Chem 54: 2155-64 (2011)


Article DOI: 10.1021/jm1013709
BindingDB Entry DOI: 10.7270/Q2902435
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50341668
PNG
((E)-3-(4-Aminobenzylidene)chroman-4-one | CHEMBL17...)
Show SMILES Nc1ccc(\C=C2/COc3ccccc3C2=O)cc1
Show InChI InChI=1S/C16H13NO2/c17-13-7-5-11(6-8-13)9-12-10-19-15-4-2-1-3-14(15)16(12)18/h1-9H,10,17H2/b12-9+
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n/an/a 879n/an/an/an/an/an/a



Universita` La Sapienza di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect sells assessed as hydrogen peroxide production by fluorim...

J Med Chem 54: 2155-64 (2011)


Article DOI: 10.1021/jm1013709
BindingDB Entry DOI: 10.7270/Q2902435
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50341667
PNG
((E)-N-(4-[(4-Oxochroman-3-ylidene)methyl]phenyl)ac...)
Show SMILES CC(=O)Nc1ccc(\C=C2/COc3ccccc3C2=O)cc1
Show InChI InChI=1S/C18H15NO3/c1-12(20)19-15-8-6-13(7-9-15)10-14-11-22-17-5-3-2-4-16(17)18(14)21/h2-10H,11H2,1H3,(H,19,20)/b14-10+
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n/an/a 1.06E+3n/an/an/an/an/an/a



Universita` La Sapienza di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect sells assessed as hydrogen peroxide production by fluorim...

J Med Chem 54: 2155-64 (2011)


Article DOI: 10.1021/jm1013709
BindingDB Entry DOI: 10.7270/Q2902435
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50341657
PNG
((E)-3-(2,3,4-Trimethoxybenzylidene)chroman-4-one |...)
Show SMILES COc1ccc(\C=C2/COc3ccccc3C2=O)c(OC)c1OC
Show InChI InChI=1S/C19H18O5/c1-21-16-9-8-12(18(22-2)19(16)23-3)10-13-11-24-15-7-5-4-6-14(15)17(13)20/h4-10H,11H2,1-3H3/b13-10+
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n/an/a 1.31E+3n/an/an/an/an/an/a



Universita` La Sapienza di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect sells assessed as hydrogen peroxide production by fluorim...

J Med Chem 54: 2155-64 (2011)


Article DOI: 10.1021/jm1013709
BindingDB Entry DOI: 10.7270/Q2902435
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50341660
PNG
((E)-3-(2-Hydroxy-4-methoxybenzylidene)chroman-4-on...)
Show SMILES COc1ccc(\C=C2/COc3ccccc3C2=O)c(O)c1
Show InChI InChI=1S/C17H14O4/c1-20-13-7-6-11(15(18)9-13)8-12-10-21-16-5-3-2-4-14(16)17(12)19/h2-9,18H,10H2,1H3/b12-8+
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n/an/a 1.33E+3n/an/an/an/an/an/a



Universita` La Sapienza di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect sells assessed as hydrogen peroxide production by fluorim...

J Med Chem 54: 2155-64 (2011)


Article DOI: 10.1021/jm1013709
BindingDB Entry DOI: 10.7270/Q2902435
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50341661
PNG
((E)-3-(3-Amino-4-hydroxybenzylidene)chroman-4-one ...)
Show SMILES Nc1cc(\C=C2/COc3ccccc3C2=O)ccc1O
Show InChI InChI=1S/C16H13NO3/c17-13-8-10(5-6-14(13)18)7-11-9-20-15-4-2-1-3-12(15)16(11)19/h1-8,18H,9,17H2/b11-7+
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n/an/a 1.44E+3n/an/an/an/an/an/a



Universita` La Sapienza di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI-TN-5B1-4 insect sells assessed as hydrogen peroxide production by fluorim...

J Med Chem 54: 2155-64 (2011)


Article DOI: 10.1021/jm1013709
BindingDB Entry DOI: 10.7270/Q2902435
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50341671
PNG
((E)-5,7-dimethoxy-3-(4-methoxybenzylidene)chroman-...)
Show SMILES COc1ccc(\C=C2/COc3cc(OC)cc(OC)c3C2=O)cc1
Show InChI InChI=1S/C19H18O5/c1-21-14-6-4-12(5-7-14)8-13-11-24-17-10-15(22-2)9-16(23-3)18(17)19(13)20/h4-10H,11H2,1-3H3/b13-8+
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n/an/a 1.57E+3n/an/an/an/an/an/a



Universita` La Sapienza di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect sells assessed as hydrogen peroxide production by fluorim...

J Med Chem 54: 2155-64 (2011)


Article DOI: 10.1021/jm1013709
BindingDB Entry DOI: 10.7270/Q2902435
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50341658
PNG
((E)-3-(2,3-Dimethoxybenzylidene)chroman-4-one | CH...)
Show SMILES COc1cccc(\C=C2/COc3ccccc3C2=O)c1OC
Show InChI InChI=1S/C18H16O4/c1-20-16-9-5-6-12(18(16)21-2)10-13-11-22-15-8-4-3-7-14(15)17(13)19/h3-10H,11H2,1-2H3/b13-10+
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n/an/a 1.92E+3n/an/an/an/an/an/a



Universita` La Sapienza di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect sells assessed as hydrogen peroxide production by fluorim...

J Med Chem 54: 2155-64 (2011)


Article DOI: 10.1021/jm1013709
BindingDB Entry DOI: 10.7270/Q2902435
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50341667
PNG
((E)-N-(4-[(4-Oxochroman-3-ylidene)methyl]phenyl)ac...)
Show SMILES CC(=O)Nc1ccc(\C=C2/COc3ccccc3C2=O)cc1
Show InChI InChI=1S/C18H15NO3/c1-12(20)19-15-8-6-13(7-9-15)10-14-11-22-17-5-3-2-4-16(17)18(14)21/h2-10H,11H2,1H3,(H,19,20)/b14-10+
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n/an/a 2.10E+3n/an/an/an/an/an/a



Universita` La Sapienza di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI-TN-5B1-4 insect sells assessed as hydrogen peroxide production by fluorim...

J Med Chem 54: 2155-64 (2011)


Article DOI: 10.1021/jm1013709
BindingDB Entry DOI: 10.7270/Q2902435
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50341651
PNG
(6-chloro-3-(4-chlorobenzyl)chroman-4-one | CHEMBL1...)
Show SMILES Clc1ccc(CC2COc3ccc(Cl)cc3C2=O)cc1
Show InChI InChI=1S/C16H12Cl2O2/c17-12-3-1-10(2-4-12)7-11-9-20-15-6-5-13(18)8-14(15)16(11)19/h1-6,8,11H,7,9H2
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n/an/a 3.07E+3n/an/an/an/an/an/a



Universita` La Sapienza di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect sells assessed as hydrogen peroxide production by fluorim...

J Med Chem 54: 2155-64 (2011)


Article DOI: 10.1021/jm1013709
BindingDB Entry DOI: 10.7270/Q2902435
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50341650
PNG
(5,7-dichloro-3-(4-chlorobenzyl)chroman-4-one | CHE...)
Show SMILES Clc1ccc(CC2COc3cc(Cl)cc(Cl)c3C2=O)cc1
Show InChI InChI=1S/C16H11Cl3O2/c17-11-3-1-9(2-4-11)5-10-8-21-14-7-12(18)6-13(19)15(14)16(10)20/h1-4,6-7,10H,5,8H2
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n/an/a 4.59E+3n/an/an/an/an/an/a



Universita` La Sapienza di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect sells assessed as hydrogen peroxide production by fluorim...

J Med Chem 54: 2155-64 (2011)


Article DOI: 10.1021/jm1013709
BindingDB Entry DOI: 10.7270/Q2902435
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50341663
PNG
((E)-3-(3,4-Dihydroxybenzylidene)chroman-4-one | CH...)
Show SMILES Oc1ccc(\C=C2/COc3ccccc3C2=O)cc1O
Show InChI InChI=1S/C16H12O4/c17-13-6-5-10(8-14(13)18)7-11-9-20-15-4-2-1-3-12(15)16(11)19/h1-8,17-18H,9H2/b11-7+
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n/an/a 4.74E+3n/an/an/an/an/an/a



Universita` La Sapienza di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI-TN-5B1-4 insect sells assessed as hydrogen peroxide production by fluorim...

J Med Chem 54: 2155-64 (2011)


Article DOI: 10.1021/jm1013709
BindingDB Entry DOI: 10.7270/Q2902435
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



Universita` La Sapienza di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI-TN-5B1-4 insect sells assessed as hydrogen peroxide production by fluorim...

J Med Chem 54: 2155-64 (2011)


Article DOI: 10.1021/jm1013709
BindingDB Entry DOI: 10.7270/Q2902435
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50341652
PNG
(3-(4-chlorobenzyl)chroman-4-one | CHEMBL1766624)
Show SMILES Clc1ccc(CC2COc3ccccc3C2=O)cc1
Show InChI InChI=1S/C16H13ClO2/c17-13-7-5-11(6-8-13)9-12-10-19-15-4-2-1-3-14(15)16(12)18/h1-8,12H,9-10H2
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n/an/a 7.37E+3n/an/an/an/an/an/a



Universita` La Sapienza di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect sells assessed as hydrogen peroxide production by fluorim...

J Med Chem 54: 2155-64 (2011)


Article DOI: 10.1021/jm1013709
BindingDB Entry DOI: 10.7270/Q2902435
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



Universita` La Sapienza di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect sells assessed as hydrogen peroxide production by fluorim...

J Med Chem 54: 2155-64 (2011)


Article DOI: 10.1021/jm1013709
BindingDB Entry DOI: 10.7270/Q2902435
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50341670
PNG
((E)-5,7-dihydroxy-3-(4-hydroxybenzylidene)chroman-...)
Show SMILES Oc1ccc(\C=C2/COc3cc(O)cc(O)c3C2=O)cc1
Show InChI InChI=1S/C16H12O5/c17-11-3-1-9(2-4-11)5-10-8-21-14-7-12(18)6-13(19)15(14)16(10)20/h1-7,17-19H,8H2/b10-5+
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n/an/a 1.15E+4n/an/an/an/an/an/a



Universita` La Sapienza di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI-TN-5B1-4 insect sells assessed as hydrogen peroxide production by fluorim...

J Med Chem 54: 2155-64 (2011)


Article DOI: 10.1021/jm1013709
BindingDB Entry DOI: 10.7270/Q2902435
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50341656
PNG
((E)-3-(3,4,5-Trimethoxybenzylidene)chroman-4-one |...)
Show SMILES COc1cc(\C=C2/COc3ccccc3C2=O)cc(OC)c1OC
Show InChI InChI=1S/C19H18O5/c1-21-16-9-12(10-17(22-2)19(16)23-3)8-13-11-24-15-7-5-4-6-14(15)18(13)20/h4-10H,11H2,1-3H3/b13-8+
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n/an/a 2.07E+4n/an/an/an/an/an/a



Universita` La Sapienza di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect sells assessed as hydrogen peroxide production by fluorim...

J Med Chem 54: 2155-64 (2011)


Article DOI: 10.1021/jm1013709
BindingDB Entry DOI: 10.7270/Q2902435
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50341654
PNG
(3-(4-methoxybenzyl)-4H-chromen-4-one | CHEMBL17666...)
Show SMILES COc1ccc(Cc2coc3ccccc3c2=O)cc1
Show InChI InChI=1S/C17H14O3/c1-19-14-8-6-12(7-9-14)10-13-11-20-16-5-3-2-4-15(16)17(13)18/h2-9,11H,10H2,1H3
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n/an/a 2.16E+4n/an/an/an/an/an/a



Universita` La Sapienza di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect sells assessed as hydrogen peroxide production by fluorim...

J Med Chem 54: 2155-64 (2011)


Article DOI: 10.1021/jm1013709
BindingDB Entry DOI: 10.7270/Q2902435
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50341653
PNG
(3-benzylchroman-4-one | CHEMBL1766622)
Show SMILES O=C1C(Cc2ccccc2)COc2ccccc12
Show InChI InChI=1S/C16H14O2/c17-16-13(10-12-6-2-1-3-7-12)11-18-15-9-5-4-8-14(15)16/h1-9,13H,10-11H2
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n/an/a 5.85E+4n/an/an/an/an/an/a



Universita` La Sapienza di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect sells assessed as hydrogen peroxide production by fluorim...

J Med Chem 54: 2155-64 (2011)


Article DOI: 10.1021/jm1013709
BindingDB Entry DOI: 10.7270/Q2902435
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(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 6.14E+4n/an/an/an/an/an/a



Universita` La Sapienza di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect sells assessed as hydrogen peroxide production by fluorim...

J Med Chem 54: 2155-64 (2011)


Article DOI: 10.1021/jm1013709
BindingDB Entry DOI: 10.7270/Q2902435
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 6.73E+4n/an/an/an/an/an/a



Universita` La Sapienza di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI-TN-5B1-4 insect sells assessed as hydrogen peroxide production by fluorim...

J Med Chem 54: 2155-64 (2011)


Article DOI: 10.1021/jm1013709
BindingDB Entry DOI: 10.7270/Q2902435
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM15613
PNG
(4-chloro-N-(2-morpholin-4-ylethyl)benzamide | 4-ch...)
Show SMILES Clc1ccc(cc1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C13H17ClN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)
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n/an/a 3.61E+5n/an/an/an/an/an/a



Universita` La Sapienza di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI-TN-5B1-4 insect sells assessed as hydrogen peroxide production by fluorim...

J Med Chem 54: 2155-64 (2011)


Article DOI: 10.1021/jm1013709
BindingDB Entry DOI: 10.7270/Q2902435
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%