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Compile Data Set for Download or QSAR

Found 56 hits Enz. Inhib. hit(s) with all data for entry = 50031268   
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 4n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA expressed in BTI-TN-5B1-4 cells by para-tyramine oxidation assay


Bioorg Med Chem 18: 1273-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.029
BindingDB Entry DOI: 10.7270/Q2X63N2Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 19n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in BTI-TN-5B1-4 cells by para-tyramine oxidation assay


Bioorg Med Chem 18: 1273-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.029
BindingDB Entry DOI: 10.7270/Q2X63N2Z
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50310169
PNG
((S)(+)-7-methyl-2-phenylchroman-4-one | CHEMBL6012...)
Show SMILES Cc1ccc2C(=O)C[C@H](Oc2c1)c1ccccc1 |r|
Show InChI InChI=1S/C16H14O2/c1-11-7-8-13-14(17)10-15(18-16(13)9-11)12-5-3-2-4-6-12/h2-9,15H,10H2,1H3/t15-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in BTI-TN-5B1-4 cells by para-tyramine oxidation assay


Bioorg Med Chem 18: 1273-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.029
BindingDB Entry DOI: 10.7270/Q2X63N2Z
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50310193
PNG
((+/-)-2-(4-fluorophenyl)-7-methylchroman-4-one | C...)
Show SMILES Cc1ccc2C(=O)CC(Oc2c1)c1ccc(F)cc1
Show InChI InChI=1S/C16H13FO2/c1-10-2-7-13-14(18)9-15(19-16(13)8-10)11-3-5-12(17)6-4-11/h2-8,15H,9H2,1H3
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n/an/a 130n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in BTI-TN-5B1-4 cells by para-tyramine oxidation assay


Bioorg Med Chem 18: 1273-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.029
BindingDB Entry DOI: 10.7270/Q2X63N2Z
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50310170
PNG
((R)(+)-7-methyl-2-phenylchroman-4-one | CHEMBL6018...)
Show SMILES Cc1ccc2C(=O)C[C@@H](Oc2c1)c1ccccc1 |r|
Show InChI InChI=1S/C16H14O2/c1-11-7-8-13-14(17)10-15(18-16(13)9-11)12-5-3-2-4-6-12/h2-9,15H,10H2,1H3/t15-/m1/s1
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n/an/a 140n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in BTI-TN-5B1-4 cells by para-tyramine oxidation assay


Bioorg Med Chem 18: 1273-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.029
BindingDB Entry DOI: 10.7270/Q2X63N2Z
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50310172
PNG
((R)(+)-7-fluoro-2-p-tolylchroman-4-one | CHEMBL598...)
Show SMILES Cc1ccc(cc1)[C@H]1CC(=O)c2ccc(F)cc2O1 |r|
Show InChI InChI=1S/C16H13FO2/c1-10-2-4-11(5-3-10)15-9-14(18)13-7-6-12(17)8-16(13)19-15/h2-8,15H,9H2,1H3/t15-/m1/s1
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Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in BTI-TN-5B1-4 cells by para-tyramine oxidation assay


Bioorg Med Chem 18: 1273-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.029
BindingDB Entry DOI: 10.7270/Q2X63N2Z
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50310174
PNG
((R)(+)-7-fluoro-2-(4-fluorophenyl)chroman-4-one | ...)
Show SMILES Fc1ccc(cc1)[C@H]1CC(=O)c2ccc(F)cc2O1 |r|
Show InChI InChI=1S/C15H10F2O2/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-7,14H,8H2/t14-/m1/s1
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Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in BTI-TN-5B1-4 cells by para-tyramine oxidation assay


Bioorg Med Chem 18: 1273-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.029
BindingDB Entry DOI: 10.7270/Q2X63N2Z
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50310171
PNG
((S)(+)-7-fluoro-2-p-tolylchroman-4-one | CHEMBL597...)
Show SMILES Cc1ccc(cc1)[C@@H]1CC(=O)c2ccc(F)cc2O1 |r|
Show InChI InChI=1S/C16H13FO2/c1-10-2-4-11(5-3-10)15-9-14(18)13-7-6-12(17)8-16(13)19-15/h2-8,15H,9H2,1H3/t15-/m0/s1
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Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in BTI-TN-5B1-4 cells by para-tyramine oxidation assay


Bioorg Med Chem 18: 1273-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.029
BindingDB Entry DOI: 10.7270/Q2X63N2Z
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50310165
PNG
((S)(+)-2-(4-fluorophenyl)-7-methoxychroman-4-one |...)
Show SMILES COc1ccc2C(=O)C[C@H](Oc2c1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C16H13FO3/c1-19-12-6-7-13-14(18)9-15(20-16(13)8-12)10-2-4-11(17)5-3-10/h2-8,15H,9H2,1H3/t15-/m0/s1
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n/an/a 160n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in BTI-TN-5B1-4 cells by para-tyramine oxidation assay


Bioorg Med Chem 18: 1273-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.029
BindingDB Entry DOI: 10.7270/Q2X63N2Z
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50310171
PNG
((S)(+)-7-fluoro-2-p-tolylchroman-4-one | CHEMBL597...)
Show SMILES Cc1ccc(cc1)[C@@H]1CC(=O)c2ccc(F)cc2O1 |r|
Show InChI InChI=1S/C16H13FO2/c1-10-2-4-11(5-3-10)15-9-14(18)13-7-6-12(17)8-16(13)19-15/h2-8,15H,9H2,1H3/t15-/m0/s1
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Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in BTI-TN-5B1-4 cells by para-tyramine oxidation assay


Bioorg Med Chem 18: 1273-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.029
BindingDB Entry DOI: 10.7270/Q2X63N2Z
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50310173
PNG
((S)(+)-7-fluoro-2-(4-fluorophenyl)chroman-4-one | ...)
Show SMILES Fc1ccc(cc1)[C@@H]1CC(=O)c2ccc(F)cc2O1 |r|
Show InChI InChI=1S/C15H10F2O2/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-7,14H,8H2/t14-/m0/s1
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Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in BTI-TN-5B1-4 cells by para-tyramine oxidation assay


Bioorg Med Chem 18: 1273-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.029
BindingDB Entry DOI: 10.7270/Q2X63N2Z
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50310165
PNG
((S)(+)-2-(4-fluorophenyl)-7-methoxychroman-4-one |...)
Show SMILES COc1ccc2C(=O)C[C@H](Oc2c1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C16H13FO3/c1-19-12-6-7-13-14(18)9-15(20-16(13)8-12)10-2-4-11(17)5-3-10/h2-8,15H,9H2,1H3/t15-/m0/s1
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Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in BTI-TN-5B1-4 cells by para-tyramine oxidation assay


Bioorg Med Chem 18: 1273-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.029
BindingDB Entry DOI: 10.7270/Q2X63N2Z
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50310194
PNG
((+/-)-7-fluoro-2-(4-methoxyphenyl)chroman-4-one | ...)
Show SMILES COc1ccc(cc1)C1CC(=O)c2ccc(F)cc2O1
Show InChI InChI=1S/C16H13FO3/c1-19-12-5-2-10(3-6-12)15-9-14(18)13-7-4-11(17)8-16(13)20-15/h2-8,15H,9H2,1H3
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Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in BTI-TN-5B1-4 cells by para-tyramine oxidation assay


Bioorg Med Chem 18: 1273-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.029
BindingDB Entry DOI: 10.7270/Q2X63N2Z
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50310166
PNG
((R)(+)-2-(4-fluorophenyl)-7-methoxychroman-4-one |...)
Show SMILES COc1ccc2C(=O)C[C@@H](Oc2c1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C16H13FO3/c1-19-12-6-7-13-14(18)9-15(20-16(13)8-12)10-2-4-11(17)5-3-10/h2-8,15H,9H2,1H3/t15-/m1/s1
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Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in BTI-TN-5B1-4 cells by para-tyramine oxidation assay


Bioorg Med Chem 18: 1273-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.029
BindingDB Entry DOI: 10.7270/Q2X63N2Z
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50310182
PNG
(2-(4-methoxyphenyl)-4H-chromene-4-thione | CHEMBL6...)
Show SMILES COc1ccc(cc1)-c1cc(=S)c2ccccc2o1
Show InChI InChI=1S/C16H12O2S/c1-17-12-8-6-11(7-9-12)15-10-16(19)13-4-2-3-5-14(13)18-15/h2-10H,1H3
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Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in BTI-TN-5B1-4 cells by para-tyramine oxidation assay


Bioorg Med Chem 18: 1273-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.029
BindingDB Entry DOI: 10.7270/Q2X63N2Z
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50310167
PNG
((S)(+)-7-methyl-2-p-tolylchroman-4-one | CHEMBL600...)
Show SMILES Cc1ccc(cc1)[C@@H]1CC(=O)c2ccc(C)cc2O1 |r|
Show InChI InChI=1S/C17H16O2/c1-11-3-6-13(7-4-11)16-10-15(18)14-8-5-12(2)9-17(14)19-16/h3-9,16H,10H2,1-2H3/t16-/m0/s1
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Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in BTI-TN-5B1-4 cells by para-tyramine oxidation assay


Bioorg Med Chem 18: 1273-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.029
BindingDB Entry DOI: 10.7270/Q2X63N2Z
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50310168
PNG
((R)(+)-7-methyl-2-p-tolylchroman-4-one | CHEMBL598...)
Show SMILES Cc1ccc(cc1)[C@H]1CC(=O)c2ccc(C)cc2O1 |r|
Show InChI InChI=1S/C17H16O2/c1-11-3-6-13(7-4-11)16-10-15(18)14-8-5-12(2)9-17(14)19-16/h3-9,16H,10H2,1-2H3/t16-/m1/s1
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Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in BTI-TN-5B1-4 cells by para-tyramine oxidation assay


Bioorg Med Chem 18: 1273-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.029
BindingDB Entry DOI: 10.7270/Q2X63N2Z
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50310191
PNG
((+/-)-7-methoxy-2-p-tolylchroman-4-one | CHEMBL602...)
Show SMILES COc1ccc2C(=O)CC(Oc2c1)c1ccc(C)cc1
Show InChI InChI=1S/C17H16O3/c1-11-3-5-12(6-4-11)16-10-15(18)14-8-7-13(19-2)9-17(14)20-16/h3-9,16H,10H2,1-2H3
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Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in BTI-TN-5B1-4 cells by para-tyramine oxidation assay


Bioorg Med Chem 18: 1273-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.029
BindingDB Entry DOI: 10.7270/Q2X63N2Z
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50310167
PNG
((S)(+)-7-methyl-2-p-tolylchroman-4-one | CHEMBL600...)
Show SMILES Cc1ccc(cc1)[C@@H]1CC(=O)c2ccc(C)cc2O1 |r|
Show InChI InChI=1S/C17H16O2/c1-11-3-6-13(7-4-11)16-10-15(18)14-8-5-12(2)9-17(14)19-16/h3-9,16H,10H2,1-2H3/t16-/m0/s1
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n/an/a 590n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in BTI-TN-5B1-4 cells by para-tyramine oxidation assay


Bioorg Med Chem 18: 1273-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.029
BindingDB Entry DOI: 10.7270/Q2X63N2Z
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50310175
PNG
((S)(+)-7-fluoro-2-phenylchroman-4-one | CHEMBL5927...)
Show SMILES Fc1ccc2C(=O)C[C@H](Oc2c1)c1ccccc1 |r|
Show InChI InChI=1S/C15H11FO2/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-8,14H,9H2/t14-/m0/s1
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n/an/a 620n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in BTI-TN-5B1-4 cells by para-tyramine oxidation assay


Bioorg Med Chem 18: 1273-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.029
BindingDB Entry DOI: 10.7270/Q2X63N2Z
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50310176
PNG
((R)(+)-7-fluoro-2-phenylchroman-4-one | CHEMBL5997...)
Show SMILES Fc1ccc2C(=O)C[C@@H](Oc2c1)c1ccccc1 |r|
Show InChI InChI=1S/C15H11FO2/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-8,14H,9H2/t14-/m1/s1
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n/an/a 650n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in BTI-TN-5B1-4 cells by para-tyramine oxidation assay


Bioorg Med Chem 18: 1273-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.029
BindingDB Entry DOI: 10.7270/Q2X63N2Z
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50310173
PNG
((S)(+)-7-fluoro-2-(4-fluorophenyl)chroman-4-one | ...)
Show SMILES Fc1ccc(cc1)[C@@H]1CC(=O)c2ccc(F)cc2O1 |r|
Show InChI InChI=1S/C15H10F2O2/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-7,14H,8H2/t14-/m0/s1
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n/an/a 670n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in BTI-TN-5B1-4 cells by para-tyramine oxidation assay


Bioorg Med Chem 18: 1273-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.029
BindingDB Entry DOI: 10.7270/Q2X63N2Z
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50310186
PNG
(7-fluoro-2-(4-methoxyphenyl)-4H-chromen-4-one | CH...)
Show SMILES COc1ccc(cc1)-c1cc(=O)c2ccc(F)cc2o1
Show InChI InChI=1S/C16H11FO3/c1-19-12-5-2-10(3-6-12)15-9-14(18)13-7-4-11(17)8-16(13)20-15/h2-9H,1H3
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n/an/a 1.34E+3n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in BTI-TN-5B1-4 cells by para-tyramine oxidation assay


Bioorg Med Chem 18: 1273-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.029
BindingDB Entry DOI: 10.7270/Q2X63N2Z
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50106920
PNG
((+/-)-7-methoxy-2-phenylchroman-4-one | 7-Methoxy-...)
Show SMILES COc1ccc2C(=O)CC(Oc2c1)c1ccccc1
Show InChI InChI=1S/C16H14O3/c1-18-12-7-8-13-14(17)10-15(19-16(13)9-12)11-5-3-2-4-6-11/h2-9,15H,10H2,1H3
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n/an/a 1.47E+3n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in BTI-TN-5B1-4 cells by para-tyramine oxidation assay


Bioorg Med Chem 18: 1273-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.029
BindingDB Entry DOI: 10.7270/Q2X63N2Z
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50310180
PNG
(7-fluoro-2-p-tolyl-4H-chromene-4-thione | CHEMBL59...)
Show SMILES Cc1ccc(cc1)-c1cc(=S)c2ccc(F)cc2o1
Show InChI InChI=1S/C16H11FOS/c1-10-2-4-11(5-3-10)14-9-16(19)13-7-6-12(17)8-15(13)18-14/h2-9H,1H3
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n/an/a 1.61E+3n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in BTI-TN-5B1-4 cells by para-tyramine oxidation assay


Bioorg Med Chem 18: 1273-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.029
BindingDB Entry DOI: 10.7270/Q2X63N2Z
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM7458
PNG
(5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
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n/an/a 1.70E+3n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human MAOA


Bioorg Med Chem 18: 1273-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.029
BindingDB Entry DOI: 10.7270/Q2X63N2Z
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50310196
PNG
((+/-)-2-p-tolylchroman-4-one | CHEMBL596690)
Show SMILES Cc1ccc(cc1)C1CC(=O)c2ccccc2O1
Show InChI InChI=1S/C16H14O2/c1-11-6-8-12(9-7-11)16-10-14(17)13-4-2-3-5-15(13)18-16/h2-9,16H,10H2,1H3
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n/an/a 2.07E+3n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in BTI-TN-5B1-4 cells by para-tyramine oxidation assay


Bioorg Med Chem 18: 1273-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.029
BindingDB Entry DOI: 10.7270/Q2X63N2Z
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50310195
PNG
((+/-)-2-(4-methoxyphenyl)chroman-4-one | 2-(4-meth...)
Show SMILES COc1ccc(cc1)C1CC(=O)c2ccccc2O1
Show InChI InChI=1S/C16H14O3/c1-18-12-8-6-11(7-9-12)16-10-14(17)13-4-2-3-5-15(13)19-16/h2-9,16H,10H2,1H3
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n/an/a 2.20E+3n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in BTI-TN-5B1-4 cells by para-tyramine oxidation assay


Bioorg Med Chem 18: 1273-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.029
BindingDB Entry DOI: 10.7270/Q2X63N2Z
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50310190
PNG
(2-p-Tolyl-chromen-4-one | 2-p-tolyl-4H-chromen-4-o...)
Show SMILES Cc1ccc(cc1)-c1cc(=O)c2ccccc2o1
Show InChI InChI=1S/C16H12O2/c1-11-6-8-12(9-7-11)16-10-14(17)13-4-2-3-5-15(13)18-16/h2-10H,1H3
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n/an/a 2.38E+3n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in BTI-TN-5B1-4 cells by para-tyramine oxidation assay


Bioorg Med Chem 18: 1273-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.029
BindingDB Entry DOI: 10.7270/Q2X63N2Z
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM7460
PNG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
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n/an/a 2.80E+3n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human MAOA


Bioorg Med Chem 18: 1273-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.029
BindingDB Entry DOI: 10.7270/Q2X63N2Z
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50051358
PNG
(2,3-Dihydroflavone | 2,3-dihydro-2-phenyl-4H-1-ben...)
Show SMILES O=C1CC(Oc2ccccc12)c1ccccc1
Show InChI InChI=1S/C15H12O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-9,15H,10H2
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n/an/a 2.87E+3n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in BTI-TN-5B1-4 cells by para-tyramine oxidation assay


Bioorg Med Chem 18: 1273-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.029
BindingDB Entry DOI: 10.7270/Q2X63N2Z
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50310177
PNG
(7-methoxy-2-(4-methoxyphenyl)-4H-chromene-4-thione...)
Show SMILES COc1ccc(cc1)-c1cc(=S)c2ccc(OC)cc2o1
Show InChI InChI=1S/C17H14O3S/c1-18-12-5-3-11(4-6-12)15-10-17(21)14-8-7-13(19-2)9-16(14)20-15/h3-10H,1-2H3
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n/an/a 3.34E+3n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in BTI-TN-5B1-4 cells by para-tyramine oxidation assay


Bioorg Med Chem 18: 1273-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.029
BindingDB Entry DOI: 10.7270/Q2X63N2Z
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50310192
PNG
((+/-)-2-(4-methoxyphenyl)-7-methylchroman-4-one | ...)
Show SMILES COc1ccc(cc1)C1CC(=O)c2ccc(C)cc2O1
Show InChI InChI=1S/C17H16O3/c1-11-3-8-14-15(18)10-16(20-17(14)9-11)12-4-6-13(19-2)7-5-12/h3-9,16H,10H2,1-2H3
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n/an/a 3.35E+3n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in BTI-TN-5B1-4 cells by para-tyramine oxidation assay


Bioorg Med Chem 18: 1273-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.029
BindingDB Entry DOI: 10.7270/Q2X63N2Z
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50310169
PNG
((S)(+)-7-methyl-2-phenylchroman-4-one | CHEMBL6012...)
Show SMILES Cc1ccc2C(=O)C[C@H](Oc2c1)c1ccccc1 |r|
Show InChI InChI=1S/C16H14O2/c1-11-7-8-13-14(17)10-15(18-16(13)9-11)12-5-3-2-4-6-12/h2-9,15H,10H2,1H3/t15-/m0/s1
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n/an/a 3.62E+3n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in BTI-TN-5B1-4 cells by para-tyramine oxidation assay


Bioorg Med Chem 18: 1273-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.029
BindingDB Entry DOI: 10.7270/Q2X63N2Z
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50310175
PNG
((S)(+)-7-fluoro-2-phenylchroman-4-one | CHEMBL5927...)
Show SMILES Fc1ccc2C(=O)C[C@H](Oc2c1)c1ccccc1 |r|
Show InChI InChI=1S/C15H11FO2/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-8,14H,9H2/t14-/m0/s1
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n/an/a 3.77E+3n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in BTI-TN-5B1-4 cells by para-tyramine oxidation assay


Bioorg Med Chem 18: 1273-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.029
BindingDB Entry DOI: 10.7270/Q2X63N2Z
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50310187
PNG
(7-fluoro-2-p-tolyl-4H-chromen-4-one | CHEMBL599148)
Show SMILES Cc1ccc(cc1)-c1cc(=O)c2ccc(F)cc2o1
Show InChI InChI=1S/C16H11FO2/c1-10-2-4-11(5-3-10)15-9-14(18)13-7-6-12(17)8-16(13)19-15/h2-9H,1H3
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n/an/a 4.33E+3n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in BTI-TN-5B1-4 cells by para-tyramine oxidation assay


Bioorg Med Chem 18: 1273-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.029
BindingDB Entry DOI: 10.7270/Q2X63N2Z
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50310197
PNG
((+/-)-2-(4-fluorophenyl)chroman-4-one | CHEMBL6072...)
Show SMILES Fc1ccc(cc1)C1CC(=O)c2ccccc2O1
Show InChI InChI=1S/C15H11FO2/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-8,15H,9H2
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n/an/a 4.41E+3n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in BTI-TN-5B1-4 cells by para-tyramine oxidation assay


Bioorg Med Chem 18: 1273-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.029
BindingDB Entry DOI: 10.7270/Q2X63N2Z
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM7459
PNG
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
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n/an/a 4.90E+3n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human MAOA


Bioorg Med Chem 18: 1273-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.029
BindingDB Entry DOI: 10.7270/Q2X63N2Z
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50310198
PNG
(2-(4-Fluoro-phenyl)-7-methoxy-chromen-4-one | 2-(4...)
Show SMILES COc1ccc2c(c1)oc(cc2=O)-c1ccc(F)cc1
Show InChI InChI=1S/C16H11FO3/c1-19-12-6-7-13-14(18)9-15(20-16(13)8-12)10-2-4-11(17)5-3-10/h2-9H,1H3
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n/an/a 5.14E+3n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in BTI-TN-5B1-4 cells by para-tyramine oxidation assay


Bioorg Med Chem 18: 1273-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.029
BindingDB Entry DOI: 10.7270/Q2X63N2Z
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 La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA expressed in BTI-TN-5B1-4 cells by para-tyramine oxidation assay


Bioorg Med Chem 18: 1273-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.029
BindingDB Entry DOI: 10.7270/Q2X63N2Z
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50310183
PNG
(2-p-tolyl-4H-chromene-4-thione | CHEMBL582494)
Show SMILES Cc1ccc(cc1)-c1cc(=S)c2ccccc2o1
Show InChI InChI=1S/C16H12OS/c1-11-6-8-12(9-7-11)15-10-16(18)13-4-2-3-5-14(13)17-15/h2-10H,1H3
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n/an/a 6.69E+3n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in BTI-TN-5B1-4 cells by para-tyramine oxidation assay


Bioorg Med Chem 18: 1273-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.029
BindingDB Entry DOI: 10.7270/Q2X63N2Z
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50310179
PNG
(7-methyl-2-p-tolyl-4H-chromene-4-thione | CHEMBL59...)
Show SMILES Cc1ccc(cc1)-c1cc(=S)c2ccc(C)cc2o1
Show InChI InChI=1S/C17H14OS/c1-11-3-6-13(7-4-11)15-10-17(19)14-8-5-12(2)9-16(14)18-15/h3-10H,1-2H3
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n/an/a 6.72E+3n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in BTI-TN-5B1-4 cells by para-tyramine oxidation assay


Bioorg Med Chem 18: 1273-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.029
BindingDB Entry DOI: 10.7270/Q2X63N2Z
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50310181
PNG
(7-fluoro-2-(4-fluorophenyl)-4H-chromene-4-thione |...)
Show SMILES Fc1ccc(cc1)-c1cc(=S)c2ccc(F)cc2o1
Show InChI InChI=1S/C15H8F2OS/c16-10-3-1-9(2-4-10)13-8-15(19)12-6-5-11(17)7-14(12)18-13/h1-8H
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n/an/a 6.89E+3n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in BTI-TN-5B1-4 cells by para-tyramine oxidation assay


Bioorg Med Chem 18: 1273-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.029
BindingDB Entry DOI: 10.7270/Q2X63N2Z
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50213235
PNG
((+/-)-7-methoxy-2-(4-methoxyphenyl)chroman-4-one |...)
Show SMILES COc1ccc(cc1)C1CC(=O)c2ccc(OC)cc2O1
Show InChI InChI=1S/C17H16O4/c1-19-12-5-3-11(4-6-12)16-10-15(18)14-8-7-13(20-2)9-17(14)21-16/h3-9,16H,10H2,1-2H3
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n/an/a 7.18E+3n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in BTI-TN-5B1-4 cells by para-tyramine oxidation assay


Bioorg Med Chem 18: 1273-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.029
BindingDB Entry DOI: 10.7270/Q2X63N2Z
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 La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in BTI-TN-5B1-4 cells by para-tyramine oxidation assay


Bioorg Med Chem 18: 1273-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.029
BindingDB Entry DOI: 10.7270/Q2X63N2Z
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50310178
PNG
(7-methoxy-2-p-tolyl-4H-chromene-4-thione | CHEMBL5...)
Show SMILES COc1ccc2c(c1)oc(cc2=S)-c1ccc(C)cc1
Show InChI InChI=1S/C17H14O2S/c1-11-3-5-12(6-4-11)15-10-17(20)14-8-7-13(18-2)9-16(14)19-15/h3-10H,1-2H3
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n/an/a 7.61E+3n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in BTI-TN-5B1-4 cells by para-tyramine oxidation assay


Bioorg Med Chem 18: 1273-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.029
BindingDB Entry DOI: 10.7270/Q2X63N2Z
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50310185
PNG
(7-Methoxy-2-p-tolyl-chromen-4-one | 7-methoxy-2-p-...)
Show SMILES COc1ccc2c(c1)oc(cc2=O)-c1ccc(C)cc1
Show InChI InChI=1S/C17H14O3/c1-11-3-5-12(6-4-11)16-10-15(18)14-8-7-13(19-2)9-17(14)20-16/h3-10H,1-2H3
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n/an/a 1.13E+4n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in BTI-TN-5B1-4 cells by para-tyramine oxidation assay


Bioorg Med Chem 18: 1273-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.029
BindingDB Entry DOI: 10.7270/Q2X63N2Z
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM7458
PNG
(5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
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n/an/a 1.28E+4n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human MAOB


Bioorg Med Chem 18: 1273-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.029
BindingDB Entry DOI: 10.7270/Q2X63N2Z
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50310188
PNG
(7-fluoro-2-phenyl-4H-chromen-4-one | CHEMBL477846 ...)
Show SMILES Fc1ccc2c(c1)oc(cc2=O)-c1ccccc1
Show InChI InChI=1S/C15H9FO2/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-9H
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n/an/a 1.29E+4n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in BTI-TN-5B1-4 cells by para-tyramine oxidation assay


Bioorg Med Chem 18: 1273-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.029
BindingDB Entry DOI: 10.7270/Q2X63N2Z
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50310189
PNG
(2-(4-Methoxy-phenyl)-chromen-4-one | 2-(4-methoxyp...)
Show SMILES COc1ccc(cc1)-c1cc(=O)c2ccccc2o1
Show InChI InChI=1S/C16H12O3/c1-18-12-8-6-11(7-9-12)16-10-14(17)13-4-2-3-5-15(13)19-16/h2-10H,1H3
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n/an/a 2.79E+4n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in BTI-TN-5B1-4 cells by para-tyramine oxidation assay


Bioorg Med Chem 18: 1273-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.029
BindingDB Entry DOI: 10.7270/Q2X63N2Z
More data for this
Ligand-Target Pair
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