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Compile Data Set for Download or QSAR

Found 54 hits Enz. Inhib. hit(s) with all data for entry = 50033910   
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))
BDBM50353713
PNG
(CHEMBL1830829)
Show SMILES NNC(=O)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C10H8N2O3/c11-12-9(13)7-5-6-3-1-2-4-8(6)15-10(7)14/h1-5H,11H2,(H,12,13)
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n/an/a 3.22n/an/an/an/an/an/a



Universit£ degli Studi di Roma Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-tyramin...


Eur J Med Chem 46: 4846-52 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.017
BindingDB Entry DOI: 10.7270/Q2QV3MXF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50353712
PNG
(CHEMBL1830814)
Show SMILES CCOC(=O)c1cc2ccc(OCc3ccccc3)cc2oc1=O
Show InChI InChI=1S/C19H16O5/c1-2-22-18(20)16-10-14-8-9-15(11-17(14)24-19(16)21)23-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3
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n/an/a 7.01n/an/an/an/an/an/a



Universit£ degli Studi di Roma Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-tyramin...


Eur J Med Chem 46: 4846-52 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.017
BindingDB Entry DOI: 10.7270/Q2QV3MXF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50353714
PNG
(CHEMBL1830817)
Show SMILES CCOC(=O)c1cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2oc1=O
Show InChI InChI=1S/C19H14Cl2O5/c1-2-24-18(22)14-8-12-4-5-13(9-17(12)26-19(14)23)25-10-11-3-6-15(20)16(21)7-11/h3-9H,2,10H2,1H3
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n/an/a 9.47n/an/an/an/an/an/a



Universit£ degli Studi di Roma Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-tyramin...


Eur J Med Chem 46: 4846-52 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.017
BindingDB Entry DOI: 10.7270/Q2QV3MXF
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
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



Universit£ degli Studi di Roma Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-tyramin...


Eur J Med Chem 46: 4846-52 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.017
BindingDB Entry DOI: 10.7270/Q2QV3MXF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50353715
PNG
(CHEMBL1830818)
Show SMILES CCOC(=O)c1cc2ccc(OC3CCCCCC3)cc2oc1=O
Show InChI InChI=1S/C19H22O5/c1-2-22-18(20)16-11-13-9-10-15(12-17(13)24-19(16)21)23-14-7-5-3-4-6-8-14/h9-12,14H,2-8H2,1H3
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n/an/a 21.5n/an/an/an/an/an/a



Universit£ degli Studi di Roma Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-tyramin...


Eur J Med Chem 46: 4846-52 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.017
BindingDB Entry DOI: 10.7270/Q2QV3MXF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50353716
PNG
(CHEMBL1830815)
Show SMILES CCOC(=O)c1cc2ccc(OCc3cccc(Cl)c3)cc2oc1=O
Show InChI InChI=1S/C19H15ClO5/c1-2-23-18(21)16-9-13-6-7-15(10-17(13)25-19(16)22)24-11-12-4-3-5-14(20)8-12/h3-10H,2,11H2,1H3
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n/an/a 61.2n/an/an/an/an/an/a



Universit£ degli Studi di Roma Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-tyramin...


Eur J Med Chem 46: 4846-52 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.017
BindingDB Entry DOI: 10.7270/Q2QV3MXF
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
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 67.3n/an/an/an/an/an/a



Universit£ degli Studi di Roma Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-tyramin...


Eur J Med Chem 46: 4846-52 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.017
BindingDB Entry DOI: 10.7270/Q2QV3MXF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50353709
PNG
(CHEMBL1830796)
Show SMILES CC(=O)c1cc2cc(Cl)cc(Br)c2oc1=O
Show InChI InChI=1S/C11H6BrClO3/c1-5(14)8-3-6-2-7(13)4-9(12)10(6)16-11(8)15/h2-4H,1H3
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n/an/a 140n/an/an/an/an/an/a



Universit£ degli Studi di Roma Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-tyramin...


Eur J Med Chem 46: 4846-52 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.017
BindingDB Entry DOI: 10.7270/Q2QV3MXF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50353717
PNG
(CHEMBL1830797)
Show SMILES CC(=O)c1cc2cc(Br)cc(Br)c2oc1=O
Show InChI InChI=1S/C11H6Br2O3/c1-5(14)8-3-6-2-7(12)4-9(13)10(6)16-11(8)15/h2-4H,1H3
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n/an/a 200n/an/an/an/an/an/a



Universit£ degli Studi di Roma Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-tyramin...


Eur J Med Chem 46: 4846-52 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.017
BindingDB Entry DOI: 10.7270/Q2QV3MXF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50353718
PNG
(CHEMBL1830827)
Show SMILES OC(=O)c1cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2oc1=O
Show InChI InChI=1S/C17H10Cl2O5/c18-13-4-1-9(5-14(13)19)8-23-11-3-2-10-6-12(16(20)21)17(22)24-15(10)7-11/h1-7H,8H2,(H,20,21)
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n/an/a 410n/an/an/an/an/an/a



Universit£ degli Studi di Roma Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-tyramin...


Eur J Med Chem 46: 4846-52 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.017
BindingDB Entry DOI: 10.7270/Q2QV3MXF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50353719
PNG
(CHEMBL1830833)
Show SMILES Clc1ccc(NNC(=O)c2cc3ccccc3oc2=O)cc1
Show InChI InChI=1S/C16H11ClN2O3/c17-11-5-7-12(8-6-11)18-19-15(20)13-9-10-3-1-2-4-14(10)22-16(13)21/h1-9,18H,(H,19,20)
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n/an/a 1.19E+3n/an/an/an/an/an/a



Universit£ degli Studi di Roma Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-tyramin...


Eur J Med Chem 46: 4846-52 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.017
BindingDB Entry DOI: 10.7270/Q2QV3MXF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50353720
PNG
(CHEMBL1830825)
Show SMILES OC(=O)c1cc2ccc(OCc3cccc(Cl)c3)cc2oc1=O
Show InChI InChI=1S/C17H11ClO5/c18-12-3-1-2-10(6-12)9-22-13-5-4-11-7-14(16(19)20)17(21)23-15(11)8-13/h1-8H,9H2,(H,19,20)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Universit£ degli Studi di Roma Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-tyramin...


Eur J Med Chem 46: 4846-52 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.017
BindingDB Entry DOI: 10.7270/Q2QV3MXF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50353721
PNG
(CHEMBL1501880)
Show SMILES CC(=O)c1cc2c(ccc3ccccc23)oc1=O
Show InChI InChI=1S/C15H10O3/c1-9(16)12-8-13-11-5-3-2-4-10(11)6-7-14(13)18-15(12)17/h2-8H,1H3
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n/an/a 2.01E+3n/an/an/an/an/an/a



Universit£ degli Studi di Roma Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-tyramin...


Eur J Med Chem 46: 4846-52 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.017
BindingDB Entry DOI: 10.7270/Q2QV3MXF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50353741
PNG
(CHEMBL1830816)
Show SMILES CCOC(=O)c1cc2ccc(OCc3ccc(cc3)C(C)(C)C)cc2oc1=O
Show InChI InChI=1S/C23H24O5/c1-5-26-21(24)19-12-16-8-11-18(13-20(16)28-22(19)25)27-14-15-6-9-17(10-7-15)23(2,3)4/h6-13H,5,14H2,1-4H3
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n/an/a 3.75E+3n/an/an/an/an/an/a



Universit£ degli Studi di Roma Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-tyramin...


Eur J Med Chem 46: 4846-52 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.017
BindingDB Entry DOI: 10.7270/Q2QV3MXF
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 4.46E+3n/an/an/an/an/an/a



Universit£ degli Studi di Roma Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-tyramin...


Eur J Med Chem 46: 4846-52 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.017
BindingDB Entry DOI: 10.7270/Q2QV3MXF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50353723
PNG
(CHEMBL1830830)
Show SMILES O=C(NNc1ccccc1)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C16H12N2O3/c19-15(18-17-12-7-2-1-3-8-12)13-10-11-6-4-5-9-14(11)21-16(13)20/h1-10,17H,(H,18,19)
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n/an/a 4.52E+3n/an/an/an/an/an/a



Universit£ degli Studi di Roma Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-tyramin...


Eur J Med Chem 46: 4846-52 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.017
BindingDB Entry DOI: 10.7270/Q2QV3MXF
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



Universit£ degli Studi di Roma Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-tyramin...


Eur J Med Chem 46: 4846-52 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.017
BindingDB Entry DOI: 10.7270/Q2QV3MXF
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



Universit£ degli Studi di Roma Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-tyramin...


Eur J Med Chem 46: 4846-52 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.017
BindingDB Entry DOI: 10.7270/Q2QV3MXF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50353722
PNG
(CHEMBL1830828)
Show SMILES OC(=O)c1cc2ccc(OC3CCCCCC3)cc2oc1=O
Show InChI InChI=1S/C17H18O5/c18-16(19)14-9-11-7-8-13(10-15(11)22-17(14)20)21-12-5-3-1-2-4-6-12/h7-10,12H,1-6H2,(H,18,19)
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n/an/a 8.62E+3n/an/an/an/an/an/a



Universit£ degli Studi di Roma Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-tyramin...


Eur J Med Chem 46: 4846-52 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.017
BindingDB Entry DOI: 10.7270/Q2QV3MXF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50353725
PNG
(CHEMBL1830809)
Show SMILES CCOC(=O)c1cc2cc(O)ccc2oc1=O
Show InChI InChI=1S/C12H10O5/c1-2-16-11(14)9-6-7-5-8(13)3-4-10(7)17-12(9)15/h3-6,13H,2H2,1H3
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n/an/a 1.01E+4n/an/an/an/an/an/a



Universit£ degli Studi di Roma Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-tyramin...


Eur J Med Chem 46: 4846-52 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.017
BindingDB Entry DOI: 10.7270/Q2QV3MXF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50353724
PNG
(CHEMBL149463)
Show SMILES CC(=O)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C11H8O3/c1-7(12)9-6-8-4-2-3-5-10(8)14-11(9)13/h2-6H,1H3
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n/an/a 1.45E+4n/an/an/an/an/an/a



Universit£ degli Studi di Roma Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-tyramin...


Eur J Med Chem 46: 4846-52 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.017
BindingDB Entry DOI: 10.7270/Q2QV3MXF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50353727
PNG
(CHEMBL1830808)
Show SMILES CCOC(=O)c1cc2cccc(O)c2oc1=O
Show InChI InChI=1S/C12H10O5/c1-2-16-11(14)8-6-7-4-3-5-9(13)10(7)17-12(8)15/h3-6,13H,2H2,1H3
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n/an/a 1.48E+4n/an/an/an/an/an/a



Universit£ degli Studi di Roma Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-tyramin...


Eur J Med Chem 46: 4846-52 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.017
BindingDB Entry DOI: 10.7270/Q2QV3MXF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM74900
PNG
(3-acetyl-7-methoxy-1-benzopyran-2-one | 3-acetyl-7...)
Show SMILES COc1ccc2cc(C(C)=O)c(=O)oc2c1
Show InChI InChI=1S/C12H10O4/c1-7(13)10-5-8-3-4-9(15-2)6-11(8)16-12(10)14/h3-6H,1-2H3
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n/an/a 1.54E+4n/an/an/an/an/an/a



Universit£ degli Studi di Roma Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-tyramin...


Eur J Med Chem 46: 4846-52 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.017
BindingDB Entry DOI: 10.7270/Q2QV3MXF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50353730
PNG
(CHEMBL1830811)
Show SMILES CCOC(=O)c1cc2cc(Cl)cc(Br)c2oc1=O
Show InChI InChI=1S/C12H8BrClO4/c1-2-17-11(15)8-4-6-3-7(14)5-9(13)10(6)18-12(8)16/h3-5H,2H2,1H3
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n/an/a 1.75E+4n/an/an/an/an/an/a



Universit£ degli Studi di Roma Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-tyramin...


Eur J Med Chem 46: 4846-52 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.017
BindingDB Entry DOI: 10.7270/Q2QV3MXF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50353726
PNG
(CHEMBL1830795)
Show SMILES CC(=O)c1cc2cc(Cl)ccc2oc1=O
Show InChI InChI=1S/C11H7ClO3/c1-6(13)9-5-7-4-8(12)2-3-10(7)15-11(9)14/h2-5H,1H3
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n/an/a 1.77E+4n/an/an/an/an/an/a



Universit£ degli Studi di Roma Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-tyramin...


Eur J Med Chem 46: 4846-52 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.017
BindingDB Entry DOI: 10.7270/Q2QV3MXF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50353729
PNG
(CHEMBL1830824)
Show SMILES OC(=O)c1cc2cc(I)cc(I)c2oc1=O
Show InChI InChI=1S/C10H4I2O4/c11-5-1-4-2-6(9(13)14)10(15)16-8(4)7(12)3-5/h1-3H,(H,13,14)
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n/an/a 1.78E+4n/an/an/an/an/an/a



Universit£ degli Studi di Roma Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-tyramin...


Eur J Med Chem 46: 4846-52 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.017
BindingDB Entry DOI: 10.7270/Q2QV3MXF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50353708
PNG
(CHEMBL1830800)
Show SMILES Oc1ccc2oc(=O)c(cc2c1)C(=O)c1ccccc1
Show InChI InChI=1S/C16H10O4/c17-12-6-7-14-11(8-12)9-13(16(19)20-14)15(18)10-4-2-1-3-5-10/h1-9,17H
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n/an/a 1.80E+4n/an/an/an/an/an/a



Universit£ degli Studi di Roma Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-tyramin...


Eur J Med Chem 46: 4846-52 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.017
BindingDB Entry DOI: 10.7270/Q2QV3MXF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50353734
PNG
(CHEMBL379350)
Show SMILES CCN(CC)c1ccc2cc(C(C)=O)c(=O)oc2c1
Show InChI InChI=1S/C15H17NO3/c1-4-16(5-2)12-7-6-11-8-13(10(3)17)15(18)19-14(11)9-12/h6-9H,4-5H2,1-3H3
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n/an/a 1.81E+4n/an/an/an/an/an/a



Universit£ degli Studi di Roma Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-tyramin...


Eur J Med Chem 46: 4846-52 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.017
BindingDB Entry DOI: 10.7270/Q2QV3MXF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM11022
PNG
(2,3-dihydro-1H-indole-2,3-dione | CHEMBL326294 | I...)
Show SMILES O=C1Nc2ccccc2C1=O
Show InChI InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11)
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n/an/a 1.88E+4n/an/an/an/an/an/a



Universit£ degli Studi di Roma Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-tyramin...


Eur J Med Chem 46: 4846-52 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.017
BindingDB Entry DOI: 10.7270/Q2QV3MXF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50353731
PNG
(CHEMBL1830810)
Show SMILES CCOC(=O)c1cc2cc(OC)ccc2oc1=O
Show InChI InChI=1S/C13H12O5/c1-3-17-12(14)10-7-8-6-9(16-2)4-5-11(8)18-13(10)15/h4-7H,3H2,1-2H3
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n/an/a 2.16E+4n/an/an/an/an/an/a



Universit£ degli Studi di Roma Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-tyramin...


Eur J Med Chem 46: 4846-52 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.017
BindingDB Entry DOI: 10.7270/Q2QV3MXF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50303495
PNG
(CHEMBL568385 | ethyl 7-methoxy-2-oxo-2H-chromene-3...)
Show SMILES CCOC(=O)c1cc2ccc(OC)cc2oc1=O
Show InChI InChI=1S/C13H12O5/c1-3-17-12(14)10-6-8-4-5-9(16-2)7-11(8)18-13(10)15/h4-7H,3H2,1-2H3
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n/an/a 2.35E+4n/an/an/an/an/an/a



Universit£ degli Studi di Roma Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-tyramin...


Eur J Med Chem 46: 4846-52 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.017
BindingDB Entry DOI: 10.7270/Q2QV3MXF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50353728
PNG
(CHEMBL1830801)
Show SMILES CCN(CC)c1ccc2cc(C(=O)c3ccccc3)c(=O)oc2c1
Show InChI InChI=1S/C20H19NO3/c1-3-21(4-2)16-11-10-15-12-17(20(23)24-18(15)13-16)19(22)14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3
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n/an/a 2.38E+4n/an/an/an/an/an/a



Universit£ degli Studi di Roma Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-tyramin...


Eur J Med Chem 46: 4846-52 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.017
BindingDB Entry DOI: 10.7270/Q2QV3MXF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50353735
PNG
(CHEMBL1830799)
Show SMILES Oc1cccc2cc(C(=O)c3ccccc3)c(=O)oc12
Show InChI InChI=1S/C16H10O4/c17-13-8-4-7-11-9-12(16(19)20-15(11)13)14(18)10-5-2-1-3-6-10/h1-9,17H
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n/an/a 2.71E+4n/an/an/an/an/an/a



Universit£ degli Studi di Roma Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-tyramin...


Eur J Med Chem 46: 4846-52 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.017
BindingDB Entry DOI: 10.7270/Q2QV3MXF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50353737
PNG
(CHEMBL1830792)
Show SMILES CC(=O)c1cc2cccc(O)c2oc1=O
Show InChI InChI=1S/C11H8O4/c1-6(12)8-5-7-3-2-4-9(13)10(7)15-11(8)14/h2-5,13H,1H3
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n/an/a 3.94E+4n/an/an/an/an/an/a



Universit£ degli Studi di Roma Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-tyramin...


Eur J Med Chem 46: 4846-52 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.017
BindingDB Entry DOI: 10.7270/Q2QV3MXF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50353732
PNG
(CHEMBL1830831)
Show SMILES [O-][N+](=O)c1ccccc1NNC(=O)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C16H11N3O5/c20-15(18-17-12-6-2-3-7-13(12)19(22)23)11-9-10-5-1-4-8-14(10)24-16(11)21/h1-9,17H,(H,18,20)
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n/an/a 3.96E+4n/an/an/an/an/an/a



Universit£ degli Studi di Roma Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-tyramin...


Eur J Med Chem 46: 4846-52 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.017
BindingDB Entry DOI: 10.7270/Q2QV3MXF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50353736
PNG
(CHEMBL1830820)
Show SMILES OC(=O)c1cc2cc(O)ccc2oc1=O
Show InChI InChI=1S/C10H6O5/c11-6-1-2-8-5(3-6)4-7(9(12)13)10(14)15-8/h1-4,11H,(H,12,13)
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n/an/a 4.02E+4n/an/an/an/an/an/a



Universit£ degli Studi di Roma Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-tyramin...


Eur J Med Chem 46: 4846-52 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.017
BindingDB Entry DOI: 10.7270/Q2QV3MXF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50353735
PNG
(CHEMBL1830799)
Show SMILES Oc1cccc2cc(C(=O)c3ccccc3)c(=O)oc12
Show InChI InChI=1S/C16H10O4/c17-13-8-4-7-11-9-12(16(19)20-15(11)13)14(18)10-5-2-1-3-6-10/h1-9,17H
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n/an/a 4.05E+4n/an/an/an/an/an/a



Universit£ degli Studi di Roma Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-tyramin...


Eur J Med Chem 46: 4846-52 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.017
BindingDB Entry DOI: 10.7270/Q2QV3MXF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50353727
PNG
(CHEMBL1830808)
Show SMILES CCOC(=O)c1cc2cccc(O)c2oc1=O
Show InChI InChI=1S/C12H10O5/c1-2-16-11(14)8-6-7-4-3-5-9(13)10(7)17-12(8)15/h3-6,13H,2H2,1H3
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n/an/a 4.06E+4n/an/an/an/an/an/a



Universit£ degli Studi di Roma Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-tyramin...


Eur J Med Chem 46: 4846-52 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.017
BindingDB Entry DOI: 10.7270/Q2QV3MXF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50353723
PNG
(CHEMBL1830830)
Show SMILES O=C(NNc1ccccc1)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C16H12N2O3/c19-15(18-17-12-7-2-1-3-8-12)13-10-11-6-4-5-9-14(11)21-16(13)20/h1-10,17H,(H,18,19)
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n/an/a 4.14E+4n/an/an/an/an/an/a



Universit£ degli Studi di Roma Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-tyramin...


Eur J Med Chem 46: 4846-52 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.017
BindingDB Entry DOI: 10.7270/Q2QV3MXF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50353737
PNG
(CHEMBL1830792)
Show SMILES CC(=O)c1cc2cccc(O)c2oc1=O
Show InChI InChI=1S/C11H8O4/c1-6(12)8-5-7-3-2-4-9(13)10(7)15-11(8)14/h2-5,13H,1H3
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n/an/a 4.21E+4n/an/an/an/an/an/a



Universit£ degli Studi di Roma Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-tyramin...


Eur J Med Chem 46: 4846-52 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.017
BindingDB Entry DOI: 10.7270/Q2QV3MXF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50353733
PNG
(CHEMBL256699)
Show SMILES CCOC(=O)c1cc2ccc(cc2oc1=O)N(CC)CC
Show InChI InChI=1S/C16H19NO4/c1-4-17(5-2)12-8-7-11-9-13(15(18)20-6-3)16(19)21-14(11)10-12/h7-10H,4-6H2,1-3H3
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n/an/a 4.55E+4n/an/an/an/an/an/a



Universit£ degli Studi di Roma Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-tyramin...


Eur J Med Chem 46: 4846-52 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.017
BindingDB Entry DOI: 10.7270/Q2QV3MXF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50353715
PNG
(CHEMBL1830818)
Show SMILES CCOC(=O)c1cc2ccc(OC3CCCCCC3)cc2oc1=O
Show InChI InChI=1S/C19H22O5/c1-2-22-18(20)16-11-13-9-10-15(12-17(13)24-19(16)21)23-14-7-5-3-4-6-8-14/h9-12,14H,2-8H2,1H3
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n/an/a 4.64E+4n/an/an/an/an/an/a



Universit£ degli Studi di Roma Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-tyramin...


Eur J Med Chem 46: 4846-52 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.017
BindingDB Entry DOI: 10.7270/Q2QV3MXF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50353719
PNG
(CHEMBL1830833)
Show SMILES Clc1ccc(NNC(=O)c2cc3ccccc3oc2=O)cc1
Show InChI InChI=1S/C16H11ClN2O3/c17-11-5-7-12(8-6-11)18-19-15(20)13-9-10-3-1-2-4-14(10)22-16(13)21/h1-9,18H,(H,19,20)
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n/an/a 4.80E+4n/an/an/an/an/an/a



Universit£ degli Studi di Roma Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-tyramin...


Eur J Med Chem 46: 4846-52 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.017
BindingDB Entry DOI: 10.7270/Q2QV3MXF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50353725
PNG
(CHEMBL1830809)
Show SMILES CCOC(=O)c1cc2cc(O)ccc2oc1=O
Show InChI InChI=1S/C12H10O5/c1-2-16-11(14)9-6-7-5-8(13)3-4-10(7)17-12(9)15/h3-6,13H,2H2,1H3
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n/an/a 4.91E+4n/an/an/an/an/an/a



Universit£ degli Studi di Roma Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-tyramin...


Eur J Med Chem 46: 4846-52 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.017
BindingDB Entry DOI: 10.7270/Q2QV3MXF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50353739
PNG
(CHEMBL591523)
Show SMILES CC(=O)c1cc2cc(Br)ccc2oc1=O
Show InChI InChI=1S/C11H7BrO3/c1-6(13)9-5-7-4-8(12)2-3-10(7)15-11(9)14/h2-5H,1H3
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n/an/a 5.16E+4n/an/an/an/an/an/a



Universit£ degli Studi di Roma Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-tyramin...


Eur J Med Chem 46: 4846-52 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.017
BindingDB Entry DOI: 10.7270/Q2QV3MXF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50353708
PNG
(CHEMBL1830800)
Show SMILES Oc1ccc2oc(=O)c(cc2c1)C(=O)c1ccccc1
Show InChI InChI=1S/C16H10O4/c17-12-6-7-14-11(8-12)9-13(16(19)20-14)15(18)10-4-2-1-3-5-10/h1-9,17H
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n/an/a 5.17E+4n/an/an/an/an/an/a



Universit£ degli Studi di Roma Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-tyramin...


Eur J Med Chem 46: 4846-52 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.017
BindingDB Entry DOI: 10.7270/Q2QV3MXF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50353709
PNG
(CHEMBL1830796)
Show SMILES CC(=O)c1cc2cc(Cl)cc(Br)c2oc1=O
Show InChI InChI=1S/C11H6BrClO3/c1-5(14)8-3-6-2-7(13)4-9(12)10(6)16-11(8)15/h2-4H,1H3
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n/an/a 5.52E+4n/an/an/an/an/an/a



Universit£ degli Studi di Roma Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-tyramin...


Eur J Med Chem 46: 4846-52 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.017
BindingDB Entry DOI: 10.7270/Q2QV3MXF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50353711
PNG
(CHEMBL1830834)
Show SMILES [O-][N+](=O)c1ccc(NNC(=O)c2cc3ccccc3oc2=O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C16H10N4O7/c21-15(11-7-9-3-1-2-4-14(9)27-16(11)22)18-17-12-6-5-10(19(23)24)8-13(12)20(25)26/h1-8,17H,(H,18,21)
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n/an/a 5.61E+4n/an/an/an/an/an/a



Universit£ degli Studi di Roma Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-tyramin...


Eur J Med Chem 46: 4846-52 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.017
BindingDB Entry DOI: 10.7270/Q2QV3MXF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50353710
PNG
(CHEMBL1830832)
Show SMILES Cc1ccc(NNC(=O)c2cc3ccccc3oc2=O)cc1
Show InChI InChI=1S/C17H14N2O3/c1-11-6-8-13(9-7-11)18-19-16(20)14-10-12-4-2-3-5-15(12)22-17(14)21/h2-10,18H,1H3,(H,19,20)
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n/an/a 5.84E+4n/an/an/an/an/an/a



Universit£ degli Studi di Roma Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-tyramin...


Eur J Med Chem 46: 4846-52 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.017
BindingDB Entry DOI: 10.7270/Q2QV3MXF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50353738
PNG
(CHEMBL1830819)
Show SMILES OC(=O)c1cc2cccc(O)c2oc1=O
Show InChI InChI=1S/C10H6O5/c11-7-3-1-2-5-4-6(9(12)13)10(14)15-8(5)7/h1-4,11H,(H,12,13)
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PubMed
n/an/a 5.96E+4n/an/an/an/an/an/a



Universit£ degli Studi di Roma Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-tyramin...


Eur J Med Chem 46: 4846-52 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.017
BindingDB Entry DOI: 10.7270/Q2QV3MXF
More data for this
Ligand-Target Pair
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