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PubMed code 20615716

Compile data set for download or QSAR
Found 55 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] B


(Homo sapiens (Human))
BDBM50323859
PNG
(1-(4-(3-Methoxyphenyl)thiazol-2-yl)-2-(1-(pyridin-...)
Show SMILES COc1cccc(c1)-c1csc(N=NC(C)c2cccnc2)n1 |w:13.14|
Show InChI InChI=1S/C17H16N4OS/c1-12(14-6-4-8-18-10-14)20-21-17-19-16(11-23-17)13-5-3-7-15(9-13)22-2/h3-12H,1-2H3
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n/an/a 3.81n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human MAOB by fluorimetry


Bioorg Med Chem 18: 5715-23 (2010)


Article DOI: 10.1016/j.bmc.2010.06.007
BindingDB Entry DOI: 10.7270/Q25D8S19
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM15581
PNG
(CHEMBL8706 | CLG | CLORGILINE | Clorgyline | N-[3-...)
Show SMILES CN(CCCOc1ccc(Cl)cc1Cl)CC#C
Show InChI InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3
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n/an/a 4.46n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human MAOA by fluorimetry


Bioorg Med Chem 18: 5715-23 (2010)


Article DOI: 10.1016/j.bmc.2010.06.007
BindingDB Entry DOI: 10.7270/Q25D8S19
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50323850
PNG
(1-(4-(3-Methoxyphenyl)thiazol-2-yl)-2-(2-methylcyc...)
Show SMILES COc1cccc(c1)-c1csc(NN=C2CCCCC2C)n1 |w:13.13|
Show InChI InChI=1S/C17H21N3OS/c1-12-6-3-4-9-15(12)19-20-17-18-16(11-22-17)13-7-5-8-14(10-13)21-2/h5,7-8,10-12H,3-4,6,9H2,1-2H3,(H,18,20)
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n/an/a 12.2n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human MAOB by fluorimetry


Bioorg Med Chem 18: 5715-23 (2010)


Article DOI: 10.1016/j.bmc.2010.06.007
BindingDB Entry DOI: 10.7270/Q25D8S19
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50323847
PNG
(1-(4-(3-Methoxyphenyl)thiazol-2-yl)-2-(2-methylcyc...)
Show SMILES COc1cccc(c1)-c1csc(NN=C2CCCC2C)n1 |w:13.13|
Show InChI InChI=1S/C16H19N3OS/c1-11-5-3-8-14(11)18-19-16-17-15(10-21-16)12-6-4-7-13(9-12)20-2/h4,6-7,9-11H,3,5,8H2,1-2H3,(H,17,19)
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n/an/a 26.6n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human MAOB by fluorimetry


Bioorg Med Chem 18: 5715-23 (2010)


Article DOI: 10.1016/j.bmc.2010.06.007
BindingDB Entry DOI: 10.7270/Q25D8S19
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50323853
PNG
(1-(4-(3-Methoxyphenyl)thiazol-2-yl)-2-cycloheptyli...)
Show SMILES [#6]-[#8]-c1cccc(c1)-c1csc(-[#7]\[#7]=[#6]-2\[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)n1
Show InChI InChI=1S/C17H21N3OS/c1-21-15-10-6-7-13(11-15)16-12-22-17(18-16)20-19-14-8-4-2-3-5-9-14/h6-7,10-12H,2-5,8-9H2,1H3,(H,18,20)
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n/an/a 29.5n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human MAOB by fluorimetry


Bioorg Med Chem 18: 5715-23 (2010)


Article DOI: 10.1016/j.bmc.2010.06.007
BindingDB Entry DOI: 10.7270/Q25D8S19
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50323849
PNG
(1-(4-(3-Methoxyphenyl)thiazol-2-yl)-2-cyclohexylid...)
Show SMILES [#6]-[#8]-c1cccc(c1)-c1csc(-[#7]\[#7]=[#6]-2\[#6]-[#6]-[#6]-[#6]-[#6]-2)n1
Show InChI InChI=1S/C16H19N3OS/c1-20-14-9-5-6-12(10-14)15-11-21-16(17-15)19-18-13-7-3-2-4-8-13/h5-6,9-11H,2-4,7-8H2,1H3,(H,17,19)
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n/an/a 31.9n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human MAOB by fluorimetry


Bioorg Med Chem 18: 5715-23 (2010)


Article DOI: 10.1016/j.bmc.2010.06.007
BindingDB Entry DOI: 10.7270/Q25D8S19
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50323852
PNG
(1-(4-(3-Methoxyphenyl)thiazol-2-yl)-2-(4-methylcyc...)
Show SMILES [#6]-[#8]-c1cccc(c1)-c1csc(-[#7]\[#7]=[#6]-2\[#6]-[#6]-[#6](-[#6])-[#6]-[#6]-2)n1
Show InChI InChI=1S/C17H21N3OS/c1-12-6-8-14(9-7-12)19-20-17-18-16(11-22-17)13-4-3-5-15(10-13)21-2/h3-5,10-12H,6-9H2,1-2H3,(H,18,20)/b19-14-
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n/an/a 35.5n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human MAOB by fluorimetry


Bioorg Med Chem 18: 5715-23 (2010)


Article DOI: 10.1016/j.bmc.2010.06.007
BindingDB Entry DOI: 10.7270/Q25D8S19
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50323851
PNG
(1-(4-(3-Methoxyphenyl)thiazol-2-yl)-2-(3-methylcyc...)
Show SMILES COc1cccc(c1)-c1csc(NN=C2CCCC(C)C2)n1 |w:13.13|
Show InChI InChI=1S/C17H21N3OS/c1-12-5-3-7-14(9-12)19-20-17-18-16(11-22-17)13-6-4-8-15(10-13)21-2/h4,6,8,10-12H,3,5,7,9H2,1-2H3,(H,18,20)
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n/an/a 72.7n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human MAOB by fluorimetry


Bioorg Med Chem 18: 5715-23 (2010)


Article DOI: 10.1016/j.bmc.2010.06.007
BindingDB Entry DOI: 10.7270/Q25D8S19
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50323861
PNG
(1-(4-(3-Methoxyphenyl)thiazol-2-yl)-2-(1-(pyridin-...)
Show SMILES COc1cccc(c1)-c1csc(N=NC(C)c2ccncc2)n1 |w:13.14|
Show InChI InChI=1S/C17H16N4OS/c1-12(13-6-8-18-9-7-13)20-21-17-19-16(11-23-17)14-4-3-5-15(10-14)22-2/h3-12H,1-2H3
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n/an/a 116n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human MAOB by fluorimetry


Bioorg Med Chem 18: 5715-23 (2010)


Article DOI: 10.1016/j.bmc.2010.06.007
BindingDB Entry DOI: 10.7270/Q25D8S19
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50323848
PNG
(1-(4-(3-Methoxyphenyl)thiazol-2-yl)-2-(3-methylcyc...)
Show SMILES COc1cccc(c1)-c1csc(NN=C2CCC(C)C2)n1 |w:13.13|
Show InChI InChI=1S/C16H19N3OS/c1-11-6-7-13(8-11)18-19-16-17-15(10-21-16)12-4-3-5-14(9-12)20-2/h3-5,9-11H,6-8H2,1-2H3,(H,17,19)
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n/an/a 231n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human MAOB by fluorimetry


Bioorg Med Chem 18: 5715-23 (2010)


Article DOI: 10.1016/j.bmc.2010.06.007
BindingDB Entry DOI: 10.7270/Q25D8S19
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50323855
PNG
(1-(4-(3-Methoxyphenyl)thiazol-2-yl)-2-(1-(furan-2-...)
Show SMILES COc1cccc(c1)-c1csc(N=NC(C)c2ccco2)n1 |w:13.14|
Show InChI InChI=1S/C16H15N3O2S/c1-11(15-7-4-8-21-15)18-19-16-17-14(10-22-16)12-5-3-6-13(9-12)20-2/h3-11H,1-2H3
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n/an/a 333n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human MAOA by fluorimetry


Bioorg Med Chem 18: 5715-23 (2010)


Article DOI: 10.1016/j.bmc.2010.06.007
BindingDB Entry DOI: 10.7270/Q25D8S19
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50323854
PNG
(1-(4-(3-Methoxyphenyl)thiazol-2-yl)-2-(furan-2-ylm...)
Show SMILES COc1cccc(c1)-c1csc(N=NCc2ccco2)n1 |w:13.14|
Show InChI InChI=1S/C15H13N3O2S/c1-19-12-5-2-4-11(8-12)14-10-21-15(17-14)18-16-9-13-6-3-7-20-13/h2-8,10H,9H2,1H3
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n/an/a 343n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human MAOA by fluorimetry


Bioorg Med Chem 18: 5715-23 (2010)


Article DOI: 10.1016/j.bmc.2010.06.007
BindingDB Entry DOI: 10.7270/Q25D8S19
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50323864
PNG
(1-(4-(3-Methoxyphenyl)thiazol-2-yl)-2-((1H-indol-3...)
Show SMILES COc1cccc(c1)-c1csc(N=NCc2c[nH]c3ccccc23)n1 |w:13.14|
Show InChI InChI=1S/C19H16N4OS/c1-24-15-6-4-5-13(9-15)18-12-25-19(22-18)23-21-11-14-10-20-17-8-3-2-7-16(14)17/h2-10,12,20H,11H2,1H3
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n/an/a 414n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human MAOA by fluorimetry


Bioorg Med Chem 18: 5715-23 (2010)


Article DOI: 10.1016/j.bmc.2010.06.007
BindingDB Entry DOI: 10.7270/Q25D8S19
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50323859
PNG
(1-(4-(3-Methoxyphenyl)thiazol-2-yl)-2-(1-(pyridin-...)
Show SMILES COc1cccc(c1)-c1csc(N=NC(C)c2cccnc2)n1 |w:13.14|
Show InChI InChI=1S/C17H16N4OS/c1-12(14-6-4-8-18-10-14)20-21-17-19-16(11-23-17)13-5-3-7-15(9-13)22-2/h3-12H,1-2H3
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n/an/a 455n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human MAOA by fluorimetry


Bioorg Med Chem 18: 5715-23 (2010)


Article DOI: 10.1016/j.bmc.2010.06.007
BindingDB Entry DOI: 10.7270/Q25D8S19
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50323856
PNG
(1-(4-(3-Methoxyphenyl)thiazol-2-yl)-2-(thiophen-2-...)
Show SMILES COc1cccc(c1)-c1csc(N=NCc2cccs2)n1 |w:13.14|
Show InChI InChI=1S/C15H13N3OS2/c1-19-12-5-2-4-11(8-12)14-10-21-15(17-14)18-16-9-13-6-3-7-20-13/h2-8,10H,9H2,1H3
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n/an/a 458n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human MAOA by fluorimetry


Bioorg Med Chem 18: 5715-23 (2010)


Article DOI: 10.1016/j.bmc.2010.06.007
BindingDB Entry DOI: 10.7270/Q25D8S19
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50323856
PNG
(1-(4-(3-Methoxyphenyl)thiazol-2-yl)-2-(thiophen-2-...)
Show SMILES COc1cccc(c1)-c1csc(N=NCc2cccs2)n1 |w:13.14|
Show InChI InChI=1S/C15H13N3OS2/c1-19-12-5-2-4-11(8-12)14-10-21-15(17-14)18-16-9-13-6-3-7-20-13/h2-8,10H,9H2,1H3
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n/an/a 494n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human MAOB by fluorimetry


Bioorg Med Chem 18: 5715-23 (2010)


Article DOI: 10.1016/j.bmc.2010.06.007
BindingDB Entry DOI: 10.7270/Q25D8S19
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50323858
PNG
(1-(4-(3-Methoxyphenyl)thiazol-2-yl)-2-(pyridin-3-y...)
Show SMILES COc1cccc(c1)-c1csc(N=NCc2cccnc2)n1 |w:13.14|
Show InChI InChI=1S/C16H14N4OS/c1-21-14-6-2-5-13(8-14)15-11-22-16(19-15)20-18-10-12-4-3-7-17-9-12/h2-9,11H,10H2,1H3
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n/an/a 538n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human MAOA by fluorimetry


Bioorg Med Chem 18: 5715-23 (2010)


Article DOI: 10.1016/j.bmc.2010.06.007
BindingDB Entry DOI: 10.7270/Q25D8S19
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50323857
PNG
(1-(4-(3-Methoxyphenyl)thiazol-2-yl)-2-(1-(thiophen...)
Show SMILES COc1cccc(c1)-c1csc(N=NC(C)c2cccs2)n1 |w:13.14|
Show InChI InChI=1S/C16H15N3OS2/c1-11(15-7-4-8-21-15)18-19-16-17-14(10-22-16)12-5-3-6-13(9-12)20-2/h3-11H,1-2H3
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n/an/a 551n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human MAOB by fluorimetry


Bioorg Med Chem 18: 5715-23 (2010)


Article DOI: 10.1016/j.bmc.2010.06.007
BindingDB Entry DOI: 10.7270/Q25D8S19
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50323846
PNG
(1-(4-(3-Methoxyphenyl)thiazol-2-yl)-2-cyclopentyli...)
Show SMILES [#6]-[#8]-c1cccc(c1)-c1csc(-[#7]\[#7]=[#6]-2\[#6]-[#6]-[#6]-[#6]-2)n1
Show InChI InChI=1S/C15H17N3OS/c1-19-13-8-4-5-11(9-13)14-10-20-15(16-14)18-17-12-6-2-3-7-12/h4-5,8-10H,2-3,6-7H2,1H3,(H,16,18)
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n/an/a 592n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human MAOA by fluorimetry


Bioorg Med Chem 18: 5715-23 (2010)


Article DOI: 10.1016/j.bmc.2010.06.007
BindingDB Entry DOI: 10.7270/Q25D8S19
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50323857
PNG
(1-(4-(3-Methoxyphenyl)thiazol-2-yl)-2-(1-(thiophen...)
Show SMILES COc1cccc(c1)-c1csc(N=NC(C)c2cccs2)n1 |w:13.14|
Show InChI InChI=1S/C16H15N3OS2/c1-11(15-7-4-8-21-15)18-19-16-17-14(10-22-16)12-5-3-6-13(9-12)20-2/h3-11H,1-2H3
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n/an/a 636n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human MAOA by fluorimetry


Bioorg Med Chem 18: 5715-23 (2010)


Article DOI: 10.1016/j.bmc.2010.06.007
BindingDB Entry DOI: 10.7270/Q25D8S19
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50323851
PNG
(1-(4-(3-Methoxyphenyl)thiazol-2-yl)-2-(3-methylcyc...)
Show SMILES COc1cccc(c1)-c1csc(NN=C2CCCC(C)C2)n1 |w:13.13|
Show InChI InChI=1S/C17H21N3OS/c1-12-5-3-7-14(9-12)19-20-17-18-16(11-22-17)13-6-4-8-15(10-13)21-2/h4,6,8,10-12H,3,5,7,9H2,1-2H3,(H,18,20)
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n/an/a 679n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human MAOA by fluorimetry


Bioorg Med Chem 18: 5715-23 (2010)


Article DOI: 10.1016/j.bmc.2010.06.007
BindingDB Entry DOI: 10.7270/Q25D8S19
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50323860
PNG
(1-(4-(3-Methoxyphenyl)thiazol-2-yl)-2-(pyridin-4-y...)
Show SMILES COc1cccc(c1)-c1csc(N=NCc2ccncc2)n1 |w:13.14|
Show InChI InChI=1S/C16H14N4OS/c1-21-14-4-2-3-13(9-14)15-11-22-16(19-15)20-18-10-12-5-7-17-8-6-12/h2-9,11H,10H2,1H3
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n/an/a 698n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human MAOA by fluorimetry


Bioorg Med Chem 18: 5715-23 (2010)


Article DOI: 10.1016/j.bmc.2010.06.007
BindingDB Entry DOI: 10.7270/Q25D8S19
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50323850
PNG
(1-(4-(3-Methoxyphenyl)thiazol-2-yl)-2-(2-methylcyc...)
Show SMILES COc1cccc(c1)-c1csc(NN=C2CCCCC2C)n1 |w:13.13|
Show InChI InChI=1S/C17H21N3OS/c1-12-6-3-4-9-15(12)19-20-17-18-16(11-22-17)13-7-5-8-14(10-13)21-2/h5,7-8,10-12H,3-4,6,9H2,1-2H3,(H,18,20)
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n/an/a 737n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human MAOA by fluorimetry


Bioorg Med Chem 18: 5715-23 (2010)


Article DOI: 10.1016/j.bmc.2010.06.007
BindingDB Entry DOI: 10.7270/Q25D8S19
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50323852
PNG
(1-(4-(3-Methoxyphenyl)thiazol-2-yl)-2-(4-methylcyc...)
Show SMILES [#6]-[#8]-c1cccc(c1)-c1csc(-[#7]\[#7]=[#6]-2\[#6]-[#6]-[#6](-[#6])-[#6]-[#6]-2)n1
Show InChI InChI=1S/C17H21N3OS/c1-12-6-8-14(9-7-12)19-20-17-18-16(11-22-17)13-4-3-5-15(10-13)21-2/h3-5,10-12H,6-9H2,1-2H3,(H,18,20)/b19-14-
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n/an/a 749n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human MAOA by fluorimetry


Bioorg Med Chem 18: 5715-23 (2010)


Article DOI: 10.1016/j.bmc.2010.06.007
BindingDB Entry DOI: 10.7270/Q25D8S19
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50323842
PNG
(1-(4-(3-Methoxyphenyl)thiazol-2-yl)-2-(pentan-3-yl...)
Show SMILES CCC(CC)N=Nc1nc(cs1)-c1cccc(OC)c1 |w:5.4|
Show InChI InChI=1S/C15H19N3OS/c1-4-12(5-2)17-18-15-16-14(10-20-15)11-7-6-8-13(9-11)19-3/h6-10,12H,4-5H2,1-3H3
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n/an/a 772n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human MAOB by fluorimetry


Bioorg Med Chem 18: 5715-23 (2010)


Article DOI: 10.1016/j.bmc.2010.06.007
BindingDB Entry DOI: 10.7270/Q25D8S19
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50323864
PNG
(1-(4-(3-Methoxyphenyl)thiazol-2-yl)-2-((1H-indol-3...)
Show SMILES COc1cccc(c1)-c1csc(N=NCc2c[nH]c3ccccc23)n1 |w:13.14|
Show InChI InChI=1S/C19H16N4OS/c1-24-15-6-4-5-13(9-15)18-12-25-19(22-18)23-21-11-14-10-20-17-8-3-2-7-16(14)17/h2-10,12,20H,11H2,1H3
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n/an/a 800n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human MAOB by fluorimetry


Bioorg Med Chem 18: 5715-23 (2010)


Article DOI: 10.1016/j.bmc.2010.06.007
BindingDB Entry DOI: 10.7270/Q25D8S19
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50323842
PNG
(1-(4-(3-Methoxyphenyl)thiazol-2-yl)-2-(pentan-3-yl...)
Show SMILES CCC(CC)N=Nc1nc(cs1)-c1cccc(OC)c1 |w:5.4|
Show InChI InChI=1S/C15H19N3OS/c1-4-12(5-2)17-18-15-16-14(10-20-15)11-7-6-8-13(9-11)19-3/h6-10,12H,4-5H2,1-3H3
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n/an/a 824n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human MAOA by fluorimetry


Bioorg Med Chem 18: 5715-23 (2010)


Article DOI: 10.1016/j.bmc.2010.06.007
BindingDB Entry DOI: 10.7270/Q25D8S19
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50323847
PNG
(1-(4-(3-Methoxyphenyl)thiazol-2-yl)-2-(2-methylcyc...)
Show SMILES COc1cccc(c1)-c1csc(NN=C2CCCC2C)n1 |w:13.13|
Show InChI InChI=1S/C16H19N3OS/c1-11-5-3-8-14(11)18-19-16-17-15(10-21-16)12-6-4-7-13(9-12)20-2/h4,6-7,9-11H,3,5,8H2,1-2H3,(H,17,19)
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n/an/a 836n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human MAOA by fluorimetry


Bioorg Med Chem 18: 5715-23 (2010)


Article DOI: 10.1016/j.bmc.2010.06.007
BindingDB Entry DOI: 10.7270/Q25D8S19
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50323843
PNG
(1-(4-(3-Methoxyphenyl)thiazol-2-yl)-2-(pentan-2-yl...)
Show SMILES CCCC(C)N=Nc1nc(cs1)-c1cccc(OC)c1 |w:5.4|
Show InChI InChI=1S/C15H19N3OS/c1-4-6-11(2)17-18-15-16-14(10-20-15)12-7-5-8-13(9-12)19-3/h5,7-11H,4,6H2,1-3H3
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n/an/a 871n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human MAOB by fluorimetry


Bioorg Med Chem 18: 5715-23 (2010)


Article DOI: 10.1016/j.bmc.2010.06.007
BindingDB Entry DOI: 10.7270/Q25D8S19
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50323863
PNG
(1-(4-(3-Methoxyphenyl)thiazol-2-yl)-2-(benzodioxol...)
Show SMILES COc1cccc(c1)-c1csc(N=NCc2cccc3OCOc23)n1 |w:13.14|
Show InChI InChI=1S/C18H15N3O3S/c1-22-14-6-2-4-12(8-14)15-10-25-18(20-15)21-19-9-13-5-3-7-16-17(13)24-11-23-16/h2-8,10H,9,11H2,1H3
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n/an/a 875n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human MAOA by fluorimetry


Bioorg Med Chem 18: 5715-23 (2010)


Article DOI: 10.1016/j.bmc.2010.06.007
BindingDB Entry DOI: 10.7270/Q25D8S19
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50323846
PNG
(1-(4-(3-Methoxyphenyl)thiazol-2-yl)-2-cyclopentyli...)
Show SMILES [#6]-[#8]-c1cccc(c1)-c1csc(-[#7]\[#7]=[#6]-2\[#6]-[#6]-[#6]-[#6]-2)n1
Show InChI InChI=1S/C15H17N3OS/c1-19-13-8-4-5-11(9-13)14-10-20-15(16-14)18-17-12-6-2-3-7-12/h4-5,8-10H,2-3,6-7H2,1H3,(H,16,18)
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n/an/a 1.06E+3n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human MAOB by fluorimetry


Bioorg Med Chem 18: 5715-23 (2010)


Article DOI: 10.1016/j.bmc.2010.06.007
BindingDB Entry DOI: 10.7270/Q25D8S19
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50323860
PNG
(1-(4-(3-Methoxyphenyl)thiazol-2-yl)-2-(pyridin-4-y...)
Show SMILES COc1cccc(c1)-c1csc(N=NCc2ccncc2)n1 |w:13.14|
Show InChI InChI=1S/C16H14N4OS/c1-21-14-4-2-3-13(9-14)15-11-22-16(19-15)20-18-10-12-5-7-17-8-6-12/h2-9,11H,10H2,1H3
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n/an/a 1.14E+3n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human MAOB by fluorimetry


Bioorg Med Chem 18: 5715-23 (2010)


Article DOI: 10.1016/j.bmc.2010.06.007
BindingDB Entry DOI: 10.7270/Q25D8S19
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50323844
PNG
(1-(4-(3-Methoxyphenyl)thiazol-2-yl)-2-(heptan-2-yl...)
Show SMILES CCCCCC(C)N=Nc1nc(cs1)-c1cccc(OC)c1 |w:7.6|
Show InChI InChI=1S/C17H23N3OS/c1-4-5-6-8-13(2)19-20-17-18-16(12-22-17)14-9-7-10-15(11-14)21-3/h7,9-13H,4-6,8H2,1-3H3
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n/an/a 1.15E+3n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human MAOA by fluorimetry


Bioorg Med Chem 18: 5715-23 (2010)


Article DOI: 10.1016/j.bmc.2010.06.007
BindingDB Entry DOI: 10.7270/Q25D8S19
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50323843
PNG
(1-(4-(3-Methoxyphenyl)thiazol-2-yl)-2-(pentan-2-yl...)
Show SMILES CCCC(C)N=Nc1nc(cs1)-c1cccc(OC)c1 |w:5.4|
Show InChI InChI=1S/C15H19N3OS/c1-4-6-11(2)17-18-15-16-14(10-20-15)12-7-5-8-13(9-12)19-3/h5,7-11H,4,6H2,1-3H3
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n/an/a 1.31E+3n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human MAOA by fluorimetry


Bioorg Med Chem 18: 5715-23 (2010)


Article DOI: 10.1016/j.bmc.2010.06.007
BindingDB Entry DOI: 10.7270/Q25D8S19
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50323845
PNG
(1-(4-(3-Methoxyphenyl)thiazol-2-yl)-2-(octan-2-yli...)
Show SMILES CCCCCCC(C)N=Nc1nc(cs1)-c1cccc(OC)c1 |w:8.7|
Show InChI InChI=1S/C18H25N3OS/c1-4-5-6-7-9-14(2)20-21-18-19-17(13-23-18)15-10-8-11-16(12-15)22-3/h8,10-14H,4-7,9H2,1-3H3
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n/an/a 1.38E+3n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human MAOA by fluorimetry


Bioorg Med Chem 18: 5715-23 (2010)


Article DOI: 10.1016/j.bmc.2010.06.007
BindingDB Entry DOI: 10.7270/Q25D8S19
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50323848
PNG
(1-(4-(3-Methoxyphenyl)thiazol-2-yl)-2-(3-methylcyc...)
Show SMILES COc1cccc(c1)-c1csc(NN=C2CCC(C)C2)n1 |w:13.13|
Show InChI InChI=1S/C16H19N3OS/c1-11-6-7-13(8-11)18-19-16-17-15(10-21-16)12-4-3-5-14(9-12)20-2/h3-5,9-11H,6-8H2,1-2H3,(H,17,19)
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n/an/a 1.45E+3n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human MAOA by fluorimetry


Bioorg Med Chem 18: 5715-23 (2010)


Article DOI: 10.1016/j.bmc.2010.06.007
BindingDB Entry DOI: 10.7270/Q25D8S19
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50323855
PNG
(1-(4-(3-Methoxyphenyl)thiazol-2-yl)-2-(1-(furan-2-...)
Show SMILES COc1cccc(c1)-c1csc(N=NC(C)c2ccco2)n1 |w:13.14|
Show InChI InChI=1S/C16H15N3O2S/c1-11(15-7-4-8-21-15)18-19-16-17-14(10-22-16)12-5-3-6-13(9-12)20-2/h3-11H,1-2H3
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n/an/a 1.68E+3n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human MAOB by fluorimetry


Bioorg Med Chem 18: 5715-23 (2010)


Article DOI: 10.1016/j.bmc.2010.06.007
BindingDB Entry DOI: 10.7270/Q25D8S19
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50323853
PNG
(1-(4-(3-Methoxyphenyl)thiazol-2-yl)-2-cycloheptyli...)
Show SMILES [#6]-[#8]-c1cccc(c1)-c1csc(-[#7]\[#7]=[#6]-2\[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)n1
Show InChI InChI=1S/C17H21N3OS/c1-21-15-10-6-7-13(11-15)16-12-22-17(18-16)20-19-14-8-4-2-3-5-9-14/h6-7,10-12H,2-5,8-9H2,1H3,(H,18,20)
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n/an/a 1.78E+3n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human MAOA by fluorimetry


Bioorg Med Chem 18: 5715-23 (2010)


Article DOI: 10.1016/j.bmc.2010.06.007
BindingDB Entry DOI: 10.7270/Q25D8S19
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50323849
PNG
(1-(4-(3-Methoxyphenyl)thiazol-2-yl)-2-cyclohexylid...)
Show SMILES [#6]-[#8]-c1cccc(c1)-c1csc(-[#7]\[#7]=[#6]-2\[#6]-[#6]-[#6]-[#6]-[#6]-2)n1
Show InChI InChI=1S/C16H19N3OS/c1-20-14-9-5-6-12(10-14)15-11-21-16(17-15)19-18-13-7-3-2-4-8-13/h5-6,9-11H,2-4,7-8H2,1H3,(H,17,19)
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n/an/a 1.91E+3n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human MAOA by fluorimetry


Bioorg Med Chem 18: 5715-23 (2010)


Article DOI: 10.1016/j.bmc.2010.06.007
BindingDB Entry DOI: 10.7270/Q25D8S19
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50323858
PNG
(1-(4-(3-Methoxyphenyl)thiazol-2-yl)-2-(pyridin-3-y...)
Show SMILES COc1cccc(c1)-c1csc(N=NCc2cccnc2)n1 |w:13.14|
Show InChI InChI=1S/C16H14N4OS/c1-21-14-6-2-5-13(8-14)15-11-22-16(19-15)20-18-10-12-4-3-7-17-9-12/h2-9,11H,10H2,1H3
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n/an/a 2.91E+3n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human MAOB by fluorimetry


Bioorg Med Chem 18: 5715-23 (2010)


Article DOI: 10.1016/j.bmc.2010.06.007
BindingDB Entry DOI: 10.7270/Q25D8S19
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50323862
PNG
(1-(4-(3-Methoxyphenyl)thiazol-2-yl)-2-(naphthalen-...)
Show SMILES COc1cccc(c1)-c1csc(N=NCc2cccc3ccccc23)n1 |w:13.14|
Show InChI InChI=1S/C21H17N3OS/c1-25-18-10-5-8-16(12-18)20-14-26-21(23-20)24-22-13-17-9-4-7-15-6-2-3-11-19(15)17/h2-12,14H,13H2,1H3
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n/an/a 3.64E+3n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human MAOA by fluorimetry


Bioorg Med Chem 18: 5715-23 (2010)


Article DOI: 10.1016/j.bmc.2010.06.007
BindingDB Entry DOI: 10.7270/Q25D8S19
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50323861
PNG
(1-(4-(3-Methoxyphenyl)thiazol-2-yl)-2-(1-(pyridin-...)
Show SMILES COc1cccc(c1)-c1csc(N=NC(C)c2ccncc2)n1 |w:13.14|
Show InChI InChI=1S/C17H16N4OS/c1-12(13-6-8-18-9-7-13)20-21-17-19-16(11-23-17)14-4-3-5-15(10-14)22-2/h3-12H,1-2H3
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n/an/a 3.71E+3n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human MAOA by fluorimetry


Bioorg Med Chem 18: 5715-23 (2010)


Article DOI: 10.1016/j.bmc.2010.06.007
BindingDB Entry DOI: 10.7270/Q25D8S19
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50323841
PNG
(1-(4-(3-Methoxyphenyl)thiazol-2-yl)-2-(propan-2-yl...)
Show SMILES COc1cccc(c1)-c1csc(N=NC(C)C)n1 |w:13.14|
Show InChI InChI=1S/C13H15N3OS/c1-9(2)15-16-13-14-12(8-18-13)10-5-4-6-11(7-10)17-3/h4-9H,1-3H3
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n/an/a 4.43E+3n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human MAOA by fluorimetry


Bioorg Med Chem 18: 5715-23 (2010)


Article DOI: 10.1016/j.bmc.2010.06.007
BindingDB Entry DOI: 10.7270/Q25D8S19
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50323841
PNG
(1-(4-(3-Methoxyphenyl)thiazol-2-yl)-2-(propan-2-yl...)
Show SMILES COc1cccc(c1)-c1csc(N=NC(C)C)n1 |w:13.14|
Show InChI InChI=1S/C13H15N3OS/c1-9(2)15-16-13-14-12(8-18-13)10-5-4-6-11(7-10)17-3/h4-9H,1-3H3
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n/an/a 5.07E+3n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human MAOB by fluorimetry


Bioorg Med Chem 18: 5715-23 (2010)


Article DOI: 10.1016/j.bmc.2010.06.007
BindingDB Entry DOI: 10.7270/Q25D8S19
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50323865
PNG
(1-(4-(3-Methoxyphenyl)thiazol-2-yl)-2-(1-(coumarin...)
Show SMILES COc1cccc(c1)-c1csc(N\N=C(/C)c2cc3ccccc3oc2=O)n1
Show InChI InChI=1S/C21H17N3O3S/c1-13(17-11-15-6-3-4-9-19(15)27-20(17)25)23-24-21-22-18(12-28-21)14-7-5-8-16(10-14)26-2/h3-12H,1-2H3,(H,22,24)/b23-13+
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n/an/a 5.56E+3n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human MAOA by fluorimetry


Bioorg Med Chem 18: 5715-23 (2010)


Article DOI: 10.1016/j.bmc.2010.06.007
BindingDB Entry DOI: 10.7270/Q25D8S19
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



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human MAOA by fluorimetry


Bioorg Med Chem 18: 5715-23 (2010)


Article DOI: 10.1016/j.bmc.2010.06.007
BindingDB Entry DOI: 10.7270/Q25D8S19
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50323844
PNG
(1-(4-(3-Methoxyphenyl)thiazol-2-yl)-2-(heptan-2-yl...)
Show SMILES CCCCCC(C)N=Nc1nc(cs1)-c1cccc(OC)c1 |w:7.6|
Show InChI InChI=1S/C17H23N3OS/c1-4-5-6-8-13(2)19-20-17-18-16(12-22-17)14-9-7-10-15(11-14)21-3/h7,9-13H,4-6,8H2,1-3H3
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n/an/a 6.72E+3n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human MAOB by fluorimetry


Bioorg Med Chem 18: 5715-23 (2010)


Article DOI: 10.1016/j.bmc.2010.06.007
BindingDB Entry DOI: 10.7270/Q25D8S19
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50323854
PNG
(1-(4-(3-Methoxyphenyl)thiazol-2-yl)-2-(furan-2-ylm...)
Show SMILES COc1cccc(c1)-c1csc(N=NCc2ccco2)n1 |w:13.14|
Show InChI InChI=1S/C15H13N3O2S/c1-19-12-5-2-4-11(8-12)14-10-21-15(17-14)18-16-9-13-6-3-7-20-13/h2-8,10H,9H2,1H3
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n/an/a 6.78E+3n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human MAOB by fluorimetry


Bioorg Med Chem 18: 5715-23 (2010)


Article DOI: 10.1016/j.bmc.2010.06.007
BindingDB Entry DOI: 10.7270/Q25D8S19
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50323865
PNG
(1-(4-(3-Methoxyphenyl)thiazol-2-yl)-2-(1-(coumarin...)
Show SMILES COc1cccc(c1)-c1csc(N\N=C(/C)c2cc3ccccc3oc2=O)n1
Show InChI InChI=1S/C21H17N3O3S/c1-13(17-11-15-6-3-4-9-19(15)27-20(17)25)23-24-21-22-18(12-28-21)14-7-5-8-16(10-14)26-2/h3-12H,1-2H3,(H,22,24)/b23-13+
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n/an/a 6.97E+3n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human MAOB by fluorimetry


Bioorg Med Chem 18: 5715-23 (2010)


Article DOI: 10.1016/j.bmc.2010.06.007
BindingDB Entry DOI: 10.7270/Q25D8S19
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



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human MAOB by fluorimetry


Bioorg Med Chem 18: 5715-23 (2010)


Article DOI: 10.1016/j.bmc.2010.06.007
BindingDB Entry DOI: 10.7270/Q25D8S19
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



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human MAOB by fluorimetry


Bioorg Med Chem 18: 5715-23 (2010)


Article DOI: 10.1016/j.bmc.2010.06.007
BindingDB Entry DOI: 10.7270/Q25D8S19
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 1.96E+4n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human MAOB by fluorimetry


Bioorg Med Chem 18: 5715-23 (2010)


Article DOI: 10.1016/j.bmc.2010.06.007
BindingDB Entry DOI: 10.7270/Q25D8S19
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM15581
PNG
(CHEMBL8706 | CLG | CLORGILINE | Clorgyline | N-[3-...)
Show SMILES CN(CCCOc1ccc(Cl)cc1Cl)CC#C
Show InChI InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3
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n/an/a 6.14E+4n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human MAOB by fluorimetry


Bioorg Med Chem 18: 5715-23 (2010)


Article DOI: 10.1016/j.bmc.2010.06.007
BindingDB Entry DOI: 10.7270/Q25D8S19
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM15579
PNG
(CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...)
Show SMILES C[C@H](Cc1ccccc1)N(C)CC#C |r|
Show InChI InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1
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n/an/a 6.73E+4n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human MAOA by fluorimetry


Bioorg Med Chem 18: 5715-23 (2010)


Article DOI: 10.1016/j.bmc.2010.06.007
BindingDB Entry DOI: 10.7270/Q25D8S19
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


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



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human MAOA by fluorimetry


Bioorg Med Chem 18: 5715-23 (2010)


Article DOI: 10.1016/j.bmc.2010.06.007
BindingDB Entry DOI: 10.7270/Q25D8S19
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%