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Compile Data Set for Download or QSAR

Found 24 hits Enz. Inhib. hit(s) with all data for entry = 50031008   
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


(Rattus norvegicus (rat))
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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5n/an/an/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in rat liver homogenate by spectrophotometry-based Holt method


Bioorg Med Chem Lett 20: 132-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.015
BindingDB Entry DOI: 10.7270/Q2F76CPV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50305216
PNG
(3,5-bis-(2-hydroxyphenyl)-1N-(4-methyl benzenesulp...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1N=C(CC1c1ccccc1O)c1ccccc1O |c:12|
Show InChI InChI=1S/C22H20N2O4S/c1-15-10-12-16(13-11-15)29(27,28)24-20(18-7-3-5-9-22(18)26)14-19(23-24)17-6-2-4-8-21(17)25/h2-13,20,25-26H,14H2,1H3
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360n/an/an/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in rat liver homogenate by spectrophotometry-based Holt method


Bioorg Med Chem Lett 20: 132-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.015
BindingDB Entry DOI: 10.7270/Q2F76CPV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50305211
PNG
(3-(2-hydroxyphenyl), 5-(4-hydroxyphenyl)-4, 5-dihy...)
Show SMILES Oc1ccc(cc1)C1CC(N=N1)c1ccccc1O |c:11|
Show InChI InChI=1S/C15H14N2O2/c18-11-7-5-10(6-8-11)13-9-14(17-16-13)12-3-1-2-4-15(12)19/h1-8,13-14,18-19H,9H2
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600n/an/an/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAO-B in rat liver homogenate by spectrophotometry-based Holt method


Bioorg Med Chem Lett 20: 132-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.015
BindingDB Entry DOI: 10.7270/Q2F76CPV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50305217
PNG
(3-(2-hydroxyphenyl)-5-(4-hydroxyphenyl)-1N-(4-meth...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1N=C(CC1c1ccc(O)cc1)c1ccccc1O |c:12|
Show InChI InChI=1S/C22H20N2O4S/c1-15-6-12-18(13-7-15)29(27,28)24-21(16-8-10-17(25)11-9-16)14-20(23-24)19-4-2-3-5-22(19)26/h2-13,21,25-26H,14H2,1H3
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600n/an/an/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in rat liver homogenate by spectrophotometry-based Holt method


Bioorg Med Chem Lett 20: 132-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.015
BindingDB Entry DOI: 10.7270/Q2F76CPV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50305215
PNG
(3-(2-hydroxyphenyl)-5-(4-hydroxyphenyl)-1N-(benzen...)
Show SMILES Oc1ccc(cc1)C1CC(=NN1S(=O)(=O)c1ccccc1)c1ccccc1O |c:10|
Show InChI InChI=1S/C21H18N2O4S/c24-16-12-10-15(11-13-16)20-14-19(18-8-4-5-9-21(18)25)22-23(20)28(26,27)17-6-2-1-3-7-17/h1-13,20,24-25H,14H2
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680n/an/an/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in rat liver homogenate by spectrophotometry-based Holt method


Bioorg Med Chem Lett 20: 132-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.015
BindingDB Entry DOI: 10.7270/Q2F76CPV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50305210
PNG
(3,5-bis-(2-hydroxyphenyl)-4, 5-dihydro-1H-pyrazole...)
Show SMILES Oc1ccccc1C1CC(N=N1)c1ccccc1O |c:11|
Show InChI InChI=1S/C15H14N2O2/c18-14-7-3-1-5-10(14)12-9-13(17-16-12)11-6-2-4-8-15(11)19/h1-8,12-13,18-19H,9H2
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780n/an/an/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAO-B in rat liver homogenate by spectrophotometry-based Holt method


Bioorg Med Chem Lett 20: 132-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.015
BindingDB Entry DOI: 10.7270/Q2F76CPV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50305212
PNG
(3,5-bis-(2-hydroxyphenyl)-1N-benzoyl-4, 5-dihydro-...)
Show SMILES Oc1ccccc1C1CC(=NN1C(=O)c1ccccc1)c1ccccc1O |c:10|
Show InChI InChI=1S/C22H18N2O3/c25-20-12-6-4-10-16(20)18-14-19(17-11-5-7-13-21(17)26)24(23-18)22(27)15-8-2-1-3-9-15/h1-13,19,25-26H,14H2
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800n/an/an/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in rat liver homogenate by spectrophotometry-based Holt method


Bioorg Med Chem Lett 20: 132-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.015
BindingDB Entry DOI: 10.7270/Q2F76CPV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50305214
PNG
(3,5-bis-(2-hydroxyphenyl)-1N-(benzenesulphonyl)-4,...)
Show SMILES Oc1ccccc1C1CC(=NN1S(=O)(=O)c1ccccc1)c1ccccc1O |c:10|
Show InChI InChI=1S/C21H18N2O4S/c24-20-12-6-4-10-16(20)18-14-19(17-11-5-7-13-21(17)25)23(22-18)28(26,27)15-8-2-1-3-9-15/h1-13,19,24-25H,14H2
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910n/an/an/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in rat liver homogenate by spectrophotometry-based Holt method


Bioorg Med Chem Lett 20: 132-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.015
BindingDB Entry DOI: 10.7270/Q2F76CPV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
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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1.08E+3n/an/an/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAO-B in rat liver homogenate by spectrophotometry-based Holt method


Bioorg Med Chem Lett 20: 132-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.015
BindingDB Entry DOI: 10.7270/Q2F76CPV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
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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1.35E+3n/an/an/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAO-B in rat liver homogenate by spectrophotometry-based Holt method


Bioorg Med Chem Lett 20: 132-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.015
BindingDB Entry DOI: 10.7270/Q2F76CPV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50305210
PNG
(3,5-bis-(2-hydroxyphenyl)-4, 5-dihydro-1H-pyrazole...)
Show SMILES Oc1ccccc1C1CC(N=N1)c1ccccc1O |c:11|
Show InChI InChI=1S/C15H14N2O2/c18-14-7-3-1-5-10(14)12-9-13(17-16-12)11-6-2-4-8-15(11)19/h1-8,12-13,18-19H,9H2
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3.70E+3n/an/an/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in rat liver homogenate by spectrophotometry-based Holt method


Bioorg Med Chem Lett 20: 132-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.015
BindingDB Entry DOI: 10.7270/Q2F76CPV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50305211
PNG
(3-(2-hydroxyphenyl), 5-(4-hydroxyphenyl)-4, 5-dihy...)
Show SMILES Oc1ccc(cc1)C1CC(N=N1)c1ccccc1O |c:11|
Show InChI InChI=1S/C15H14N2O2/c18-11-7-5-10(6-8-11)13-9-14(17-16-13)12-3-1-2-4-15(12)19/h1-8,13-14,18-19H,9H2
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3.90E+3n/an/an/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in rat liver homogenate by spectrophotometry-based Holt method


Bioorg Med Chem Lett 20: 132-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.015
BindingDB Entry DOI: 10.7270/Q2F76CPV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50305213
PNG
(3-(2-hydroxyphenyl)-5-(4-hydroxyphenyl)-1N-benzoyl...)
Show SMILES Oc1ccc(cc1)C1CC(=NN1C(=O)c1ccccc1)c1ccccc1O |c:10|
Show InChI InChI=1S/C22H18N2O3/c25-17-12-10-15(11-13-17)20-14-19(18-8-4-5-9-21(18)26)23-24(20)22(27)16-6-2-1-3-7-16/h1-13,20,25-26H,14H2
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5.77E+3n/an/an/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in rat liver homogenate by spectrophotometry-based Holt method


Bioorg Med Chem Lett 20: 132-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.015
BindingDB Entry DOI: 10.7270/Q2F76CPV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50305209
PNG
(CHEMBL590606 | N-hydroxy-3-(2-hydroxyphenyl),4-(4-...)
Show SMILES ONC(=N)N1N=C(CC1c1ccc(O)cc1)c1ccccc1O |c:5|
Show InChI InChI=1S/C16H16N4O3/c17-16(19-23)20-14(10-5-7-11(21)8-6-10)9-13(18-20)12-3-1-2-4-15(12)22/h1-8,14,21-23H,9H2,(H2,17,19)
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1.06E+4n/an/an/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in rat liver homogenate by spectrophotometry-based Holt method


Bioorg Med Chem Lett 20: 132-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.015
BindingDB Entry DOI: 10.7270/Q2F76CPV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50305218
PNG
(CHEMBL600856 | N-hydroxy-3,5-bis-(2-hydroxyphenyl)...)
Show SMILES ONC(=N)N1N=C(CC1c1ccccc1O)c1ccccc1O |c:5|
Show InChI InChI=1S/C16H16N4O3/c17-16(19-23)20-13(11-6-2-4-8-15(11)22)9-12(18-20)10-5-1-3-7-14(10)21/h1-8,13,21-23H,9H2,(H2,17,19)
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1.57E+4n/an/an/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in rat liver homogenate by spectrophotometry-based Holt method


Bioorg Med Chem Lett 20: 132-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.015
BindingDB Entry DOI: 10.7270/Q2F76CPV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50305218
PNG
(CHEMBL600856 | N-hydroxy-3,5-bis-(2-hydroxyphenyl)...)
Show SMILES ONC(=N)N1N=C(CC1c1ccccc1O)c1ccccc1O |c:5|
Show InChI InChI=1S/C16H16N4O3/c17-16(19-23)20-13(11-6-2-4-8-15(11)22)9-12(18-20)10-5-1-3-7-14(10)21/h1-8,13,21-23H,9H2,(H2,17,19)
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9.68E+4n/an/an/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAO-B in rat liver homogenate by spectrophotometry-based Holt method


Bioorg Med Chem Lett 20: 132-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.015
BindingDB Entry DOI: 10.7270/Q2F76CPV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
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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1.06E+5n/an/an/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in rat liver homogenate by spectrophotometry-based Holt method


Bioorg Med Chem Lett 20: 132-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.015
BindingDB Entry DOI: 10.7270/Q2F76CPV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50305209
PNG
(CHEMBL590606 | N-hydroxy-3-(2-hydroxyphenyl),4-(4-...)
Show SMILES ONC(=N)N1N=C(CC1c1ccc(O)cc1)c1ccccc1O |c:5|
Show InChI InChI=1S/C16H16N4O3/c17-16(19-23)20-14(10-5-7-11(21)8-6-10)9-13(18-20)12-3-1-2-4-15(12)22/h1-8,14,21-23H,9H2,(H2,17,19)
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2.10E+5n/an/an/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAO-B in rat liver homogenate by spectrophotometry-based Holt method


Bioorg Med Chem Lett 20: 132-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.015
BindingDB Entry DOI: 10.7270/Q2F76CPV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50305216
PNG
(3,5-bis-(2-hydroxyphenyl)-1N-(4-methyl benzenesulp...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1N=C(CC1c1ccccc1O)c1ccccc1O |c:12|
Show InChI InChI=1S/C22H20N2O4S/c1-15-10-12-16(13-11-15)29(27,28)24-20(18-7-3-5-9-22(18)26)14-19(23-24)17-6-2-4-8-21(17)25/h2-13,20,25-26H,14H2,1H3
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6.20E+5n/an/an/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAO-B in rat liver homogenate by spectrophotometry-based Holt method


Bioorg Med Chem Lett 20: 132-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.015
BindingDB Entry DOI: 10.7270/Q2F76CPV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50305215
PNG
(3-(2-hydroxyphenyl)-5-(4-hydroxyphenyl)-1N-(benzen...)
Show SMILES Oc1ccc(cc1)C1CC(=NN1S(=O)(=O)c1ccccc1)c1ccccc1O |c:10|
Show InChI InChI=1S/C21H18N2O4S/c24-16-12-10-15(11-13-16)20-14-19(18-8-4-5-9-21(18)25)22-23(20)28(26,27)17-6-2-1-3-7-17/h1-13,20,24-25H,14H2
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7.00E+5n/an/an/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAO-B in rat liver homogenate by spectrophotometry-based Holt method


Bioorg Med Chem Lett 20: 132-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.015
BindingDB Entry DOI: 10.7270/Q2F76CPV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50305214
PNG
(3,5-bis-(2-hydroxyphenyl)-1N-(benzenesulphonyl)-4,...)
Show SMILES Oc1ccccc1C1CC(=NN1S(=O)(=O)c1ccccc1)c1ccccc1O |c:10|
Show InChI InChI=1S/C21H18N2O4S/c24-20-12-6-4-10-16(20)18-14-19(17-11-5-7-13-21(17)25)23(22-18)28(26,27)15-8-2-1-3-9-15/h1-13,19,24-25H,14H2
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1.55E+6n/an/an/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAO-B in rat liver homogenate by spectrophotometry-based Holt method


Bioorg Med Chem Lett 20: 132-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.015
BindingDB Entry DOI: 10.7270/Q2F76CPV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50305213
PNG
(3-(2-hydroxyphenyl)-5-(4-hydroxyphenyl)-1N-benzoyl...)
Show SMILES Oc1ccc(cc1)C1CC(=NN1C(=O)c1ccccc1)c1ccccc1O |c:10|
Show InChI InChI=1S/C22H18N2O3/c25-17-12-10-15(11-13-17)20-14-19(18-8-4-5-9-21(18)26)23-24(20)22(27)16-6-2-1-3-7-16/h1-13,20,25-26H,14H2
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2.03E+7n/an/an/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAO-B in rat liver homogenate by spectrophotometry-based Holt method


Bioorg Med Chem Lett 20: 132-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.015
BindingDB Entry DOI: 10.7270/Q2F76CPV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50305212
PNG
(3,5-bis-(2-hydroxyphenyl)-1N-benzoyl-4, 5-dihydro-...)
Show SMILES Oc1ccccc1C1CC(=NN1C(=O)c1ccccc1)c1ccccc1O |c:10|
Show InChI InChI=1S/C22H18N2O3/c25-20-12-6-4-10-16(20)18-14-19(17-11-5-7-13-21(17)26)24(23-18)22(27)15-8-2-1-3-9-15/h1-13,19,25-26H,14H2
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9.92E+7n/an/an/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAO-B in rat liver homogenate by spectrophotometry-based Holt method


Bioorg Med Chem Lett 20: 132-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.015
BindingDB Entry DOI: 10.7270/Q2F76CPV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50305217
PNG
(3-(2-hydroxyphenyl)-5-(4-hydroxyphenyl)-1N-(4-meth...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1N=C(CC1c1ccc(O)cc1)c1ccccc1O |c:12|
Show InChI InChI=1S/C22H20N2O4S/c1-15-6-12-18(13-7-15)29(27,28)24-21(16-8-10-17(25)11-9-16)14-20(23-24)19-4-2-3-5-22(19)26/h2-13,21,25-26H,14H2,1H3
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2.86E+8n/an/an/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAO-B in rat liver homogenate by spectrophotometry-based Holt method


Bioorg Med Chem Lett 20: 132-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.015
BindingDB Entry DOI: 10.7270/Q2F76CPV
More data for this
Ligand-Target Pair