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PubMed code 15056004

Compile data set for download or QSAR
Found 36 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))		BDBM50292171
PNG
(1-[3-(4-Hydroxy-phenyl)-5-(2-methoxy-phenyl)-4,5-d...)
Show SMILES COc1ccccc1C1CC(=NN1C(C)=O)c1ccc(O)cc1 |c:11|
Show InChI InChI=1S/C18H18N2O3/c1-12(21)20-17(15-5-3-4-6-18(15)23-2)11-16(19-20)13-7-9-14(22)10-8-13/h3-10,17,22H,11H2,1-2H3
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 2n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Binding affinity was evaluated against human monoamino oxidase A

J Med Chem 47: 2071-4 (2004)


Article DOI: 10.1021/jm031042b
BindingDB Entry DOI: 10.7270/Q28053BQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50292171
PNG
(1-[3-(4-Hydroxy-phenyl)-5-(2-methoxy-phenyl)-4,5-d...)
Show SMILES COc1ccccc1C1CC(=NN1C(C)=O)c1ccc(O)cc1 |c:11|
Show InChI InChI=1S/C18H18N2O3/c1-12(21)20-17(15-5-3-4-6-18(15)23-2)11-16(19-20)13-7-9-14(22)10-8-13/h3-10,17,22H,11H2,1-2H3
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 2n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Binding affinity was evaluated against human monoamino oxidase A

J Med Chem 47: 2071-4 (2004)


Article DOI: 10.1021/jm031042b
BindingDB Entry DOI: 10.7270/Q28053BQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50292163
PNG
(1-[3-(2,4-Dihydroxy-phenyl)-5-(2-methoxy-phenyl)-4...)
Show SMILES COc1ccccc1C1CC(=NN1C(C)=O)c1ccc(O)cc1O |c:11|
Show InChI InChI=1S/C18H18N2O4/c1-11(21)20-16(14-5-3-4-6-18(14)24-2)10-15(19-20)13-8-7-12(22)9-17(13)23/h3-9,16,22-23H,10H2,1-2H3
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 4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Binding affinity was evaluated against human monoamino oxidase A

J Med Chem 47: 2071-4 (2004)


Article DOI: 10.1021/jm031042b
BindingDB Entry DOI: 10.7270/Q28053BQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50292163
PNG
(1-[3-(2,4-Dihydroxy-phenyl)-5-(2-methoxy-phenyl)-4...)
Show SMILES COc1ccccc1C1CC(=NN1C(C)=O)c1ccc(O)cc1O |c:11|
Show InChI InChI=1S/C18H18N2O4/c1-11(21)20-16(14-5-3-4-6-18(14)24-2)10-15(19-20)13-8-7-12(22)9-17(13)23/h3-9,16,22-23H,10H2,1-2H3
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 4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Binding affinity was evaluated against human monoamino oxidase A

J Med Chem 47: 2071-4 (2004)


Article DOI: 10.1021/jm031042b
BindingDB Entry DOI: 10.7270/Q28053BQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50292171
PNG
(1-[3-(4-Hydroxy-phenyl)-5-(2-methoxy-phenyl)-4,5-d...)
Show SMILES COc1ccccc1C1CC(=NN1C(C)=O)c1ccc(O)cc1 |c:11|
Show InChI InChI=1S/C18H18N2O3/c1-12(21)20-17(15-5-3-4-6-18(15)23-2)11-16(19-20)13-7-9-14(22)10-8-13/h3-10,17,22H,11H2,1-2H3
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 6n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Binding affinity was evaluated against human monoamino oxidase A

J Med Chem 47: 2071-4 (2004)


Article DOI: 10.1021/jm031042b
BindingDB Entry DOI: 10.7270/Q28053BQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50292163
PNG
(1-[3-(2,4-Dihydroxy-phenyl)-5-(2-methoxy-phenyl)-4...)
Show SMILES COc1ccccc1C1CC(=NN1C(C)=O)c1ccc(O)cc1O |c:11|
Show InChI InChI=1S/C18H18N2O4/c1-11(21)20-16(14-5-3-4-6-18(14)24-2)10-15(19-20)13-8-7-12(22)9-17(13)23/h3-9,16,22-23H,10H2,1-2H3
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 7n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Binding affinity was evaluated against human monoamino oxidase A

J Med Chem 47: 2071-4 (2004)


Article DOI: 10.1021/jm031042b
BindingDB Entry DOI: 10.7270/Q28053BQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50292163
PNG
(1-[3-(2,4-Dihydroxy-phenyl)-5-(2-methoxy-phenyl)-4...)
Show SMILES COc1ccccc1C1CC(=NN1C(C)=O)c1ccc(O)cc1O |c:11|
Show InChI InChI=1S/C18H18N2O4/c1-11(21)20-16(14-5-3-4-6-18(14)24-2)10-15(19-20)13-8-7-12(22)9-17(13)23/h3-9,16,22-23H,10H2,1-2H3
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 2.70E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Binding affinity was evaluated against human monoamino oxidase B

J Med Chem 47: 2071-4 (2004)


Article DOI: 10.1021/jm031042b
BindingDB Entry DOI: 10.7270/Q28053BQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50292163
PNG
(1-[3-(2,4-Dihydroxy-phenyl)-5-(2-methoxy-phenyl)-4...)
Show SMILES COc1ccccc1C1CC(=NN1C(C)=O)c1ccc(O)cc1O |c:11|
Show InChI InChI=1S/C18H18N2O4/c1-11(21)20-16(14-5-3-4-6-18(14)24-2)10-15(19-20)13-8-7-12(22)9-17(13)23/h3-9,16,22-23H,10H2,1-2H3
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 3.20E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Binding affinity was evaluated against human monoamino oxidase B

J Med Chem 47: 2071-4 (2004)


Article DOI: 10.1021/jm031042b
BindingDB Entry DOI: 10.7270/Q28053BQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50292163
PNG
(1-[3-(2,4-Dihydroxy-phenyl)-5-(2-methoxy-phenyl)-4...)
Show SMILES COc1ccccc1C1CC(=NN1C(C)=O)c1ccc(O)cc1O |c:11|
Show InChI InChI=1S/C18H18N2O4/c1-11(21)20-16(14-5-3-4-6-18(14)24-2)10-15(19-20)13-8-7-12(22)9-17(13)23/h3-9,16,22-23H,10H2,1-2H3
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 3.20E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Binding affinity was evaluated against human monoamino oxidase B

J Med Chem 47: 2071-4 (2004)


Article DOI: 10.1021/jm031042b
BindingDB Entry DOI: 10.7270/Q28053BQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50292171
PNG
(1-[3-(4-Hydroxy-phenyl)-5-(2-methoxy-phenyl)-4,5-d...)
Show SMILES COc1ccccc1C1CC(=NN1C(C)=O)c1ccc(O)cc1 |c:11|
Show InChI InChI=1S/C18H18N2O3/c1-12(21)20-17(15-5-3-4-6-18(15)23-2)11-16(19-20)13-7-9-14(22)10-8-13/h3-10,17,22H,11H2,1-2H3
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 3.30E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Binding affinity was evaluated against human monoamino oxidase B

J Med Chem 47: 2071-4 (2004)


Article DOI: 10.1021/jm031042b
BindingDB Entry DOI: 10.7270/Q28053BQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50292171
PNG
(1-[3-(4-Hydroxy-phenyl)-5-(2-methoxy-phenyl)-4,5-d...)
Show SMILES COc1ccccc1C1CC(=NN1C(C)=O)c1ccc(O)cc1 |c:11|
Show InChI InChI=1S/C18H18N2O3/c1-12(21)20-17(15-5-3-4-6-18(15)23-2)11-16(19-20)13-7-9-14(22)10-8-13/h3-10,17,22H,11H2,1-2H3
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 3.30E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Binding affinity was evaluated against human monoamino oxidase B

J Med Chem 47: 2071-4 (2004)


Article DOI: 10.1021/jm031042b
BindingDB Entry DOI: 10.7270/Q28053BQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50292171
PNG
(1-[3-(4-Hydroxy-phenyl)-5-(2-methoxy-phenyl)-4,5-d...)
Show SMILES COc1ccccc1C1CC(=NN1C(C)=O)c1ccc(O)cc1 |c:11|
Show InChI InChI=1S/C18H18N2O3/c1-12(21)20-17(15-5-3-4-6-18(15)23-2)11-16(19-20)13-7-9-14(22)10-8-13/h3-10,17,22H,11H2,1-2H3
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 1.00E+6n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Binding affinity was evaluated against human monoamino oxidase B

J Med Chem 47: 2071-4 (2004)


Article DOI: 10.1021/jm031042b
BindingDB Entry DOI: 10.7270/Q28053BQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50292161
PNG
(1-[3-(4-Hydroxy-phenyl)-5-m-tolyl-4,5-dihydro-pyra...)
Show SMILES CC(=O)N1N=C(CC1c1cccc(C)c1)c1ccc(O)cc1 |c:4|
Show InChI InChI=1S/C18H18N2O2/c1-12-4-3-5-15(10-12)18-11-17(19-20(18)13(2)21)14-6-8-16(22)9-7-14/h3-10,18,22H,11H2,1-2H3
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n/an/a 8n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human monoamine oxidase A

J Med Chem 47: 2071-4 (2004)


Article DOI: 10.1021/jm031042b
BindingDB Entry DOI: 10.7270/Q28053BQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50292163
PNG
(1-[3-(2,4-Dihydroxy-phenyl)-5-(2-methoxy-phenyl)-4...)
Show SMILES COc1ccccc1C1CC(=NN1C(C)=O)c1ccc(O)cc1O |c:11|
Show InChI InChI=1S/C18H18N2O4/c1-11(21)20-16(14-5-3-4-6-18(14)24-2)10-15(19-20)13-8-7-12(22)9-17(13)23/h3-9,16,22-23H,10H2,1-2H3
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n/an/a 8n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human monoamine oxidase A

J Med Chem 47: 2071-4 (2004)


Article DOI: 10.1021/jm031042b
BindingDB Entry DOI: 10.7270/Q28053BQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50292160
PNG
(1-[5-(2-Chloro-phenyl)-3-(4-hydroxy-phenyl)-4,5-di...)
Show SMILES CC(=O)N1N=C(CC1c1ccccc1Cl)c1ccc(O)cc1 |c:4|
Show InChI InChI=1S/C17H15ClN2O2/c1-11(21)20-17(14-4-2-3-5-15(14)18)10-16(19-20)12-6-8-13(22)9-7-12/h2-9,17,22H,10H2,1H3
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n/an/a 8.60n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human monoamine oxidase A

J Med Chem 47: 2071-4 (2004)


Article DOI: 10.1021/jm031042b
BindingDB Entry DOI: 10.7270/Q28053BQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50292171
PNG
(1-[3-(4-Hydroxy-phenyl)-5-(2-methoxy-phenyl)-4,5-d...)
Show SMILES COc1ccccc1C1CC(=NN1C(C)=O)c1ccc(O)cc1 |c:11|
Show InChI InChI=1S/C18H18N2O3/c1-12(21)20-17(15-5-3-4-6-18(15)23-2)11-16(19-20)13-7-9-14(22)10-8-13/h3-10,17,22H,11H2,1-2H3
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n/an/a 8.80n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human monoamine oxidase A

J Med Chem 47: 2071-4 (2004)


Article DOI: 10.1021/jm031042b
BindingDB Entry DOI: 10.7270/Q28053BQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50292168
PNG
(1-[3-(2,4-Dihydroxy-phenyl)-5-(4-methoxy-phenyl)-4...)
Show SMILES COc1ccc(cc1)C1CC(=NN1C(C)=O)c1ccc(O)cc1O |c:11|
Show InChI InChI=1S/C18H18N2O4/c1-11(21)20-17(12-3-6-14(24-2)7-4-12)10-16(19-20)15-8-5-13(22)9-18(15)23/h3-9,17,22-23H,10H2,1-2H3
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n/an/a 9n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human monoamine oxidase A

J Med Chem 47: 2071-4 (2004)


Article DOI: 10.1021/jm031042b
BindingDB Entry DOI: 10.7270/Q28053BQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50292166
PNG
(1-[3-(2,4-Dihydroxy-phenyl)-5-p-tolyl-4,5-dihydro-...)
Show SMILES CC(=O)N1N=C(CC1c1ccc(C)cc1)c1ccc(O)cc1O |c:4|
Show InChI InChI=1S/C18H18N2O3/c1-11-3-5-13(6-4-11)17-10-16(19-20(17)12(2)21)15-8-7-14(22)9-18(15)23/h3-9,17,22-23H,10H2,1-2H3
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n/an/a 9n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human monoamine oxidase A

J Med Chem 47: 2071-4 (2004)


Article DOI: 10.1021/jm031042b
BindingDB Entry DOI: 10.7270/Q28053BQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50292167
PNG
(1-[3-(4-Hydroxy-phenyl)-5-(4-methoxy-phenyl)-4,5-d...)
Show SMILES COc1ccc(cc1)C1CC(=NN1C(C)=O)c1ccc(O)cc1 |c:11|
Show InChI InChI=1S/C18H18N2O3/c1-12(21)20-18(14-5-9-16(23-2)10-6-14)11-17(19-20)13-3-7-15(22)8-4-13/h3-10,18,22H,11H2,1-2H3
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n/an/a 9n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human monoamine oxidase A

J Med Chem 47: 2071-4 (2004)


Article DOI: 10.1021/jm031042b
BindingDB Entry DOI: 10.7270/Q28053BQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50292170
PNG
(1-[5-(2,4-Dimethoxy-phenyl)-3-(4-hydroxy-phenyl)-4...)
Show SMILES COc1ccc(C2CC(=NN2C(C)=O)c2ccc(O)cc2)c(OC)c1 |c:8|
Show InChI InChI=1S/C19H20N2O4/c1-12(22)21-18(16-9-8-15(24-2)10-19(16)25-3)11-17(20-21)13-4-6-14(23)7-5-13/h4-10,18,23H,11H2,1-3H3
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n/an/a 10n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human monoamine oxidase A

J Med Chem 47: 2071-4 (2004)


Article DOI: 10.1021/jm031042b
BindingDB Entry DOI: 10.7270/Q28053BQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50292164
PNG
(1-[5-(4-Chloro-phenyl)-3-(2,4-dihydroxy-phenyl)-4,...)
Show SMILES CC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1ccc(O)cc1O |c:4|
Show InChI InChI=1S/C17H15ClN2O3/c1-10(21)20-16(11-2-4-12(18)5-3-11)9-15(19-20)14-7-6-13(22)8-17(14)23/h2-8,16,22-23H,9H2,1H3
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n/an/a 10n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human monoamine oxidase A

J Med Chem 47: 2071-4 (2004)


Article DOI: 10.1021/jm031042b
BindingDB Entry DOI: 10.7270/Q28053BQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50292169
PNG
(1-[5-(3-Chloro-phenyl)-3-(4-hydroxy-phenyl)-4,5-di...)
Show SMILES CC(=O)N1N=C(CC1c1cccc(Cl)c1)c1ccc(O)cc1 |c:4|
Show InChI InChI=1S/C17H15ClN2O2/c1-11(21)20-17(13-3-2-4-14(18)9-13)10-16(19-20)12-5-7-15(22)8-6-12/h2-9,17,22H,10H2,1H3
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n/an/a 10n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human monoamine oxidase A

J Med Chem 47: 2071-4 (2004)


Article DOI: 10.1021/jm031042b
BindingDB Entry DOI: 10.7270/Q28053BQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50292162
PNG
(1-[3-(4-Hydroxy-phenyl)-5-p-tolyl-4,5-dihydro-pyra...)
Show SMILES CC(=O)N1N=C(CC1c1ccc(C)cc1)c1ccc(O)cc1 |c:4|
Show InChI InChI=1S/C18H18N2O2/c1-12-3-5-15(6-4-12)18-11-17(19-20(18)13(2)21)14-7-9-16(22)10-8-14/h3-10,18,22H,11H2,1-2H3
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n/an/a 100n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human monoamine oxidase A

J Med Chem 47: 2071-4 (2004)


Article DOI: 10.1021/jm031042b
BindingDB Entry DOI: 10.7270/Q28053BQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50292165
PNG
(1-[5-(4-Chloro-phenyl)-3-(4-hydroxy-phenyl)-4,5-di...)
Show SMILES CC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1ccc(O)cc1 |c:4|
Show InChI InChI=1S/C17H15ClN2O2/c1-11(21)20-17(13-2-6-14(18)7-3-13)10-16(19-20)12-4-8-15(22)9-5-12/h2-9,17,22H,10H2,1H3
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n/an/a 100n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human monoamine oxidase A

J Med Chem 47: 2071-4 (2004)


Article DOI: 10.1021/jm031042b
BindingDB Entry DOI: 10.7270/Q28053BQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50292167
PNG
(1-[3-(4-Hydroxy-phenyl)-5-(4-methoxy-phenyl)-4,5-d...)
Show SMILES COc1ccc(cc1)C1CC(=NN1C(C)=O)c1ccc(O)cc1 |c:11|
Show InChI InChI=1S/C18H18N2O3/c1-12(21)20-18(14-5-9-16(23-2)10-6-14)11-17(19-20)13-3-7-15(22)8-4-13/h3-10,18,22H,11H2,1-2H3
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n/an/a 7.20E+3n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human monoamine oxidase B

J Med Chem 47: 2071-4 (2004)


Article DOI: 10.1021/jm031042b
BindingDB Entry DOI: 10.7270/Q28053BQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50292161
PNG
(1-[3-(4-Hydroxy-phenyl)-5-m-tolyl-4,5-dihydro-pyra...)
Show SMILES CC(=O)N1N=C(CC1c1cccc(C)c1)c1ccc(O)cc1 |c:4|
Show InChI InChI=1S/C18H18N2O2/c1-12-4-3-5-15(10-12)18-11-17(19-20(18)13(2)21)14-6-8-16(22)9-7-14/h3-10,18,22H,11H2,1-2H3
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n/an/a 1.90E+4n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human monoamine oxidase B

J Med Chem 47: 2071-4 (2004)


Article DOI: 10.1021/jm031042b
BindingDB Entry DOI: 10.7270/Q28053BQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50292170
PNG
(1-[5-(2,4-Dimethoxy-phenyl)-3-(4-hydroxy-phenyl)-4...)
Show SMILES COc1ccc(C2CC(=NN2C(C)=O)c2ccc(O)cc2)c(OC)c1 |c:8|
Show InChI InChI=1S/C19H20N2O4/c1-12(22)21-18(16-9-8-15(24-2)10-19(16)25-3)11-17(20-21)13-4-6-14(23)7-5-13/h4-10,18,23H,11H2,1-3H3
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n/an/a 2.00E+4n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human monoamine oxidase B

J Med Chem 47: 2071-4 (2004)


Article DOI: 10.1021/jm031042b
BindingDB Entry DOI: 10.7270/Q28053BQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50292169
PNG
(1-[5-(3-Chloro-phenyl)-3-(4-hydroxy-phenyl)-4,5-di...)
Show SMILES CC(=O)N1N=C(CC1c1cccc(Cl)c1)c1ccc(O)cc1 |c:4|
Show InChI InChI=1S/C17H15ClN2O2/c1-11(21)20-17(13-3-2-4-14(18)9-13)10-16(19-20)12-5-7-15(22)8-6-12/h2-9,17,22H,10H2,1H3
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n/an/a 2.50E+4n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human monoamine oxidase B

J Med Chem 47: 2071-4 (2004)


Article DOI: 10.1021/jm031042b
BindingDB Entry DOI: 10.7270/Q28053BQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50292162
PNG
(1-[3-(4-Hydroxy-phenyl)-5-p-tolyl-4,5-dihydro-pyra...)
Show SMILES CC(=O)N1N=C(CC1c1ccc(C)cc1)c1ccc(O)cc1 |c:4|
Show InChI InChI=1S/C18H18N2O2/c1-12-3-5-15(6-4-12)18-11-17(19-20(18)13(2)21)14-7-9-16(22)10-8-14/h3-10,18,22H,11H2,1-2H3
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n/an/a 3.00E+4n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human monoamine oxidase B

J Med Chem 47: 2071-4 (2004)


Article DOI: 10.1021/jm031042b
BindingDB Entry DOI: 10.7270/Q28053BQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50292165
PNG
(1-[5-(4-Chloro-phenyl)-3-(4-hydroxy-phenyl)-4,5-di...)
Show SMILES CC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1ccc(O)cc1 |c:4|
Show InChI InChI=1S/C17H15ClN2O2/c1-11(21)20-17(13-2-6-14(18)7-3-13)10-16(19-20)12-4-8-15(22)9-5-12/h2-9,17,22H,10H2,1H3
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n/an/a 4.00E+4n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human monoamine oxidase B

J Med Chem 47: 2071-4 (2004)


Article DOI: 10.1021/jm031042b
BindingDB Entry DOI: 10.7270/Q28053BQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50292166
PNG
(1-[3-(2,4-Dihydroxy-phenyl)-5-p-tolyl-4,5-dihydro-...)
Show SMILES CC(=O)N1N=C(CC1c1ccc(C)cc1)c1ccc(O)cc1O |c:4|
Show InChI InChI=1S/C18H18N2O3/c1-11-3-5-13(6-4-11)17-10-16(19-20(17)12(2)21)15-8-7-14(22)9-18(15)23/h3-9,17,22-23H,10H2,1-2H3
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n/an/a 4.20E+4n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human monoamine oxidase B

J Med Chem 47: 2071-4 (2004)


Article DOI: 10.1021/jm031042b
BindingDB Entry DOI: 10.7270/Q28053BQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50292168
PNG
(1-[3-(2,4-Dihydroxy-phenyl)-5-(4-methoxy-phenyl)-4...)
Show SMILES COc1ccc(cc1)C1CC(=NN1C(C)=O)c1ccc(O)cc1O |c:11|
Show InChI InChI=1S/C18H18N2O4/c1-11(21)20-17(12-3-6-14(24-2)7-4-12)10-16(19-20)15-8-5-13(22)9-18(15)23/h3-9,17,22-23H,10H2,1-2H3
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n/an/a 8.30E+4n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human monoamine oxidase B

J Med Chem 47: 2071-4 (2004)


Article DOI: 10.1021/jm031042b
BindingDB Entry DOI: 10.7270/Q28053BQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50292160
PNG
(1-[5-(2-Chloro-phenyl)-3-(4-hydroxy-phenyl)-4,5-di...)
Show SMILES CC(=O)N1N=C(CC1c1ccccc1Cl)c1ccc(O)cc1 |c:4|
Show InChI InChI=1S/C17H15ClN2O2/c1-11(21)20-17(14-4-2-3-5-15(14)18)10-16(19-20)12-6-8-13(22)9-7-12/h2-9,17,22H,10H2,1H3
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n/an/a 8.90E+4n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human monoamine oxidase B

J Med Chem 47: 2071-4 (2004)


Article DOI: 10.1021/jm031042b
BindingDB Entry DOI: 10.7270/Q28053BQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50292171
PNG
(1-[3-(4-Hydroxy-phenyl)-5-(2-methoxy-phenyl)-4,5-d...)
Show SMILES COc1ccccc1C1CC(=NN1C(C)=O)c1ccc(O)cc1 |c:11|
Show InChI InChI=1S/C18H18N2O3/c1-12(21)20-17(15-5-3-4-6-18(15)23-2)11-16(19-20)13-7-9-14(22)10-8-13/h3-10,17,22H,11H2,1-2H3
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n/an/a 1.00E+5n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human monoamine oxidase B

J Med Chem 47: 2071-4 (2004)


Article DOI: 10.1021/jm031042b
BindingDB Entry DOI: 10.7270/Q28053BQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50292164
PNG
(1-[5-(4-Chloro-phenyl)-3-(2,4-dihydroxy-phenyl)-4,...)
Show SMILES CC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1ccc(O)cc1O |c:4|
Show InChI InChI=1S/C17H15ClN2O3/c1-10(21)20-16(11-2-4-12(18)5-3-11)9-15(19-20)14-7-6-13(22)8-17(14)23/h2-8,16,22-23H,9H2,1H3
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n/an/a 1.20E+5n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human monoamine oxidase B

J Med Chem 47: 2071-4 (2004)


Article DOI: 10.1021/jm031042b
BindingDB Entry DOI: 10.7270/Q28053BQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50292163
PNG
(1-[3-(2,4-Dihydroxy-phenyl)-5-(2-methoxy-phenyl)-4...)
Show SMILES COc1ccccc1C1CC(=NN1C(C)=O)c1ccc(O)cc1O |c:11|
Show InChI InChI=1S/C18H18N2O4/c1-11(21)20-16(14-5-3-4-6-18(14)24-2)10-15(19-20)13-8-7-12(22)9-17(13)23/h3-9,16,22-23H,10H2,1-2H3
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n/an/a 1.30E+5n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human monoamine oxidase B

J Med Chem 47: 2071-4 (2004)


Article DOI: 10.1021/jm031042b
BindingDB Entry DOI: 10.7270/Q28053BQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%