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Compile Data Set for Download or QSAR

Found 294 hits with Last Name = 'bekhit' and Initial = 'aa'   
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))
BDBM50179019
PNG
(3-benzyl-N-(2-morpholinoethyl)quinoxalin-2-amine |...)
Show SMILES C(CN1CCOCC1)Nc1nc2ccccc2nc1Cc1ccccc1
Show InChI InChI=1S/C21H24N4O/c1-2-6-17(7-3-1)16-20-21(22-10-11-25-12-14-26-15-13-25)24-19-9-5-4-8-18(19)23-20/h1-9H,10-16H2,(H,22,24)
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n/an/a 1.30n/an/an/an/an/an/a



University of Alexandria

Curated by ChEMBL


Assay Description
Inhibition of rat liver mitochondria MAOA


Bioorg Med Chem Lett 16: 1753-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.088
BindingDB Entry DOI: 10.7270/Q2DZ07V3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Bos taurus)
BDBM50073539
PNG
(CHEMBL3408926)
Show SMILES C\C(=N/NC(=O)Cn1c2ccccc2nc(Cc2ccccc2)c1=O)c1ccc(O)cc1
Show InChI InChI=1S/C25H22N4O3/c1-17(19-11-13-20(30)14-12-19)27-28-24(31)16-29-23-10-6-5-9-21(23)26-22(25(29)32)15-18-7-3-2-4-8-18/h2-14,30H,15-16H2,1H3,(H,28,31)/b27-17+
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n/an/a 1.60n/an/an/an/an/an/a



Alexandria University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAO-A preincubated for 60 mins before substrate addition by fluorimetric method


Eur J Med Chem 93: 308-20 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.020
BindingDB Entry DOI: 10.7270/Q2VH5QJ9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Bos taurus)
BDBM50073512
PNG
(CHEMBL3408911)
Show SMILES Oc1ccc(cc1)C(=O)NNc1nc2ccccc2nc1Cc1ccccc1
Show InChI InChI=1S/C22H18N4O2/c27-17-12-10-16(11-13-17)22(28)26-25-21-20(14-15-6-2-1-3-7-15)23-18-8-4-5-9-19(18)24-21/h1-13,27H,14H2,(H,24,25)(H,26,28)
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n/an/a 1.70n/an/an/an/an/an/a



Alexandria University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAO-A preincubated for 60 mins before substrate addition by fluorimetric method


Eur J Med Chem 93: 308-20 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.020
BindingDB Entry DOI: 10.7270/Q2VH5QJ9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50179021
PNG
(3-(4-chlorobenzyl)-N-(2-morpholinoethyl)quinoxalin...)
Show SMILES Clc1ccc(Cc2nc3ccccc3nc2NCCN2CCOCC2)cc1
Show InChI InChI=1S/C21H23ClN4O/c22-17-7-5-16(6-8-17)15-20-21(23-9-10-26-11-13-27-14-12-26)25-19-4-2-1-3-18(19)24-20/h1-8H,9-15H2,(H,23,25)
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n/an/a 1.70n/an/an/an/an/an/a



University of Alexandria

Curated by ChEMBL


Assay Description
Inhibition of rat liver mitochondria MAOA


Bioorg Med Chem Lett 16: 1753-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.088
BindingDB Entry DOI: 10.7270/Q2DZ07V3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50179017
PNG
(1-(3-(4-chlorobenzyl)quinoxalin-2-yl)hydrazine | C...)
Show SMILES NNc1nc2ccccc2nc1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C15H13ClN4/c16-11-7-5-10(6-8-11)9-14-15(20-17)19-13-4-2-1-3-12(13)18-14/h1-8H,9,17H2,(H,19,20)
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n/an/a 2.10n/an/an/an/an/an/a



University of Alexandria

Curated by ChEMBL


Assay Description
Inhibition of rat liver mitochondria MAOA


Bioorg Med Chem Lett 16: 1753-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.088
BindingDB Entry DOI: 10.7270/Q2DZ07V3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Bos taurus)
BDBM50097456
PNG
(CHEMBL3585822)
Show SMILES NNC(=O)CN1C(Nc2ccccc2C1=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C17H16N4O4/c18-20-15(22)8-21-16(10-5-6-13-14(7-10)25-9-24-13)19-12-4-2-1-3-11(12)17(21)23/h1-7,16,19H,8-9,18H2,(H,20,22)
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n/an/a 2.10n/an/an/an/an/an/a



Alexandria University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondria MAO-A using serotonin substrate after 60 mins by fluorimetric method


Bioorg Med Chem 23: 3574-85 (2015)


Article DOI: 10.1016/j.bmc.2015.04.021
BindingDB Entry DOI: 10.7270/Q28K7BVZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50378844
PNG
(CHEMBL1258839)
Show SMILES O=C(c1ccccc1)c1nc2ccccc2n2c(nnc12)-c1ccccc1
Show InChI InChI=1S/C22H14N4O/c27-20(15-9-3-1-4-10-15)19-22-25-24-21(16-11-5-2-6-12-16)26(22)18-14-8-7-13-17(18)23-19/h1-14H
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n/an/a 2.70n/an/an/an/an/an/a



Alexandria University

Curated by ChEMBL


Assay Description
Inhibition of MAOA by spectrophotometry


Eur J Med Chem 45: 4479-89 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.008
BindingDB Entry DOI: 10.7270/Q21G0N86
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50378846
PNG
(CHEMBL1258610)
Show SMILES CN(C)c1ccc(cc1)-c1nnc2c(nc3ccccc3n12)C(=O)c1ccccc1
Show InChI InChI=1S/C24H19N5O/c1-28(2)18-14-12-17(13-15-18)23-26-27-24-21(22(30)16-8-4-3-5-9-16)25-19-10-6-7-11-20(19)29(23)24/h3-15H,1-2H3
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n/an/a 2.70n/an/an/an/an/an/a



Alexandria University

Curated by ChEMBL


Assay Description
Inhibition of MAOA by spectrophotometry


Eur J Med Chem 45: 4479-89 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.008
BindingDB Entry DOI: 10.7270/Q21G0N86
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50378833
PNG
(CHEMBL1257814)
Show SMILES CC(N=Nc1nc2ccccc2nc1Cc1ccccc1)c1ccc(O)cc1 |w:3.3|
Show InChI InChI=1S/C23H20N4O/c1-16(18-11-13-19(28)14-12-18)26-27-23-22(15-17-7-3-2-4-8-17)24-20-9-5-6-10-21(20)25-23/h2-14,16,28H,15H2,1H3
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n/an/a 2.80n/an/an/an/an/an/a



Alexandria University

Curated by ChEMBL


Assay Description
Inhibition of MAOA by spectrophotometry


Eur J Med Chem 45: 4479-89 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.008
BindingDB Entry DOI: 10.7270/Q21G0N86
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50088564
PNG
(CHEMBL3577041)
Show SMILES COC(=O)[C@@H](NC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1)C(C)C |r|
Show InChI InChI=1S/C23H25N3O6/c1-13(2)19(23(31)32-4)26-21(29)15-9-11-16(12-10-15)25-22(30)20(28)17-7-5-6-8-18(17)24-14(3)27/h5-13,19H,1-4H3,(H,24,27)(H,25,30)(H,26,29)/t19-/m0/s1
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n/an/a 2.80n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in rat liver mitochondria using serotonin as substrate preincubated with enzyme for 60 mins prior to substrate addition


Bioorg Med Chem Lett 25: 70-4 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.007
BindingDB Entry DOI: 10.7270/Q24F1SGH
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Bos taurus)
BDBM50097459
PNG
(CHEMBL3585817)
Show SMILES COC(=O)C(C)N1C(Nc2ccccc2C1=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C19H18N2O5/c1-11(19(23)24-2)21-17(12-7-8-15-16(9-12)26-10-25-15)20-14-6-4-3-5-13(14)18(21)22/h3-9,11,17,20H,10H2,1-2H3
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n/an/a 2.80n/an/an/an/an/an/a



Alexandria University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondria MAO-A using serotonin substrate after 60 mins by fluorimetric method


Bioorg Med Chem 23: 3574-85 (2015)


Article DOI: 10.1016/j.bmc.2015.04.021
BindingDB Entry DOI: 10.7270/Q28K7BVZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
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 2.90n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in rat liver mitochondria using serotonin as substrate preincubated with enzyme for 60 mins prior to substrate addition


Bioorg Med Chem Lett 25: 70-4 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.007
BindingDB Entry DOI: 10.7270/Q24F1SGH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Amine oxidase [flavin-containing] A


(Bos taurus)
BDBM50073531
PNG
(CHEMBL3408918)
Show SMILES O=C(Cn1c2ccccc2nc(Cc2ccccc2)c1=O)NNC(=O)C(Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc12
Show InChI InChI=1S/C41H35N5O5/c47-38(25-46-37-22-12-11-21-34(37)42-36(40(46)49)24-28-15-5-2-6-16-28)44-45-39(48)35(23-27-13-3-1-4-14-27)43-41(50)51-26-33-31-19-9-7-17-29(31)30-18-8-10-20-32(30)33/h1-22,33,35H,23-26H2,(H,43,50)(H,44,47)(H,45,48)
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n/an/a 2.90n/an/an/an/an/an/a



Alexandria University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAO-A preincubated for 60 mins before substrate addition by fluorimetric method


Eur J Med Chem 93: 308-20 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.020
BindingDB Entry DOI: 10.7270/Q2VH5QJ9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Bos taurus)
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 2.90n/an/an/an/an/an/a



Alexandria University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondria MAO-A using serotonin substrate after 60 mins by fluorimetric method


Bioorg Med Chem 23: 3574-85 (2015)


Article DOI: 10.1016/j.bmc.2015.04.021
BindingDB Entry DOI: 10.7270/Q28K7BVZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 3.10n/an/an/an/an/an/a



Alexandria University

Curated by ChEMBL


Assay Description
Inhibition of MAOA by spectrophotometry


Eur J Med Chem 45: 4479-89 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.008
BindingDB Entry DOI: 10.7270/Q21G0N86
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Amine oxidase [flavin-containing] A


(Bos taurus)
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 3.10n/an/an/an/an/an/a



Assiut University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondria MAO-A by spectrofluorimetry


Eur J Med Chem 93: 481-91 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.039
BindingDB Entry DOI: 10.7270/Q2FX7C5D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Amine oxidase [flavin-containing] A


(Bos taurus)
BDBM50073533
PNG
(CHEMBL3408920)
Show SMILES O=C(Cn1c2ccccc2nc(Cc2ccccc2)c1=O)N\N=C\c1ccccc1
Show InChI InChI=1S/C24H20N4O2/c29-23(27-25-16-19-11-5-2-6-12-19)17-28-22-14-8-7-13-20(22)26-21(24(28)30)15-18-9-3-1-4-10-18/h1-14,16H,15,17H2,(H,27,29)/b25-16+
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n/an/a 3.10n/an/an/an/an/an/a



Alexandria University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAO-A preincubated for 60 mins before substrate addition by fluorimetric method


Eur J Med Chem 93: 308-20 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.020
BindingDB Entry DOI: 10.7270/Q2VH5QJ9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Bos taurus)
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 3.10n/an/an/an/an/an/a



Alexandria University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAO-A preincubated for 60 mins before substrate addition by fluorimetric method


Eur J Med Chem 93: 308-20 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.020
BindingDB Entry DOI: 10.7270/Q2VH5QJ9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Amine oxidase [flavin-containing] A


(Bos taurus)
BDBM50073532
PNG
(CHEMBL3408919)
Show SMILES CC(C)(C)Oc1ccc(CC(NC(=O)OCC2c3ccccc3-c3ccccc23)C(=O)NNC(=O)Cn2c3ccccc3nc(Cc3ccccc3)c2=O)cc1
Show InChI InChI=1S/C45H43N5O6/c1-45(2,3)56-31-23-21-30(22-24-31)25-38(47-44(54)55-28-36-34-17-9-7-15-32(34)33-16-8-10-18-35(33)36)42(52)49-48-41(51)27-50-40-20-12-11-19-37(40)46-39(43(50)53)26-29-13-5-4-6-14-29/h4-24,36,38H,25-28H2,1-3H3,(H,47,54)(H,48,51)(H,49,52)
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n/an/a 3.40n/an/an/an/an/an/a



Alexandria University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAO-A preincubated for 60 mins before substrate addition by fluorimetric method


Eur J Med Chem 93: 308-20 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.020
BindingDB Entry DOI: 10.7270/Q2VH5QJ9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50378834
PNG
(CHEMBL1257932)
Show SMILES Oc1ccc(CN=Nc2nc3ccccc3nc2Cc2ccccc2)cc1 |w:7.7|
Show InChI InChI=1S/C22H18N4O/c27-18-12-10-17(11-13-18)15-23-26-22-21(14-16-6-2-1-3-7-16)24-19-8-4-5-9-20(19)25-22/h1-13,27H,14-15H2
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n/an/a 3.40n/an/an/an/an/an/a



Alexandria University

Curated by ChEMBL


Assay Description
Inhibition of MAOA by spectrophotometry


Eur J Med Chem 45: 4479-89 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.008
BindingDB Entry DOI: 10.7270/Q21G0N86
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Bos taurus)
BDBM50073534
PNG
(CHEMBL3408921)
Show SMILES Oc1ccc(\C=N\NC(=O)Cn2c3ccccc3nc(Cc3ccccc3)c2=O)cc1
Show InChI InChI=1S/C24H20N4O3/c29-19-12-10-18(11-13-19)15-25-27-23(30)16-28-22-9-5-4-8-20(22)26-21(24(28)31)14-17-6-2-1-3-7-17/h1-13,15,29H,14,16H2,(H,27,30)/b25-15+
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n/an/a 3.60n/an/an/an/an/an/a



Alexandria University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAO-A preincubated for 60 mins before substrate addition by fluorimetric method


Eur J Med Chem 93: 308-20 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.020
BindingDB Entry DOI: 10.7270/Q2VH5QJ9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Bos taurus)
BDBM50097463
PNG
(CHEMBL3585814)
Show SMILES COC(=O)CN1C(Nc2ccccc2C1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H15ClN2O3/c1-23-15(21)10-20-16(11-6-8-12(18)9-7-11)19-14-5-3-2-4-13(14)17(20)22/h2-9,16,19H,10H2,1H3
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n/an/a 3.60n/an/an/an/an/an/a



Alexandria University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondria MAO-B using benzylamine substrate after 60 mins by fluorimetric method


Bioorg Med Chem 23: 3574-85 (2015)


Article DOI: 10.1016/j.bmc.2015.04.021
BindingDB Entry DOI: 10.7270/Q28K7BVZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50179020
PNG
(2-(3-benzylquinoxalin-2-ylamino)ethanol | CHEMBL20...)
Show SMILES OCCNc1nc2ccccc2nc1Cc1ccccc1
Show InChI InChI=1S/C17H17N3O/c21-11-10-18-17-16(12-13-6-2-1-3-7-13)19-14-8-4-5-9-15(14)20-17/h1-9,21H,10-12H2,(H,18,20)
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n/an/a 3.70n/an/an/an/an/an/a



University of Alexandria

Curated by ChEMBL


Assay Description
Inhibition of rat liver mitochondria MAOA


Bioorg Med Chem Lett 16: 1753-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.088
BindingDB Entry DOI: 10.7270/Q2DZ07V3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Bos taurus)
BDBM50078676
PNG
(CHEMBL3415443)
Show SMILES [Br-].CCOC(=O)C(C(=O)N\N=C\c1ccc(cc1)[N+]([O-])=O)[n+]1ccc2ccccc2c1
Show InChI InChI=1S/C21H18N4O5/c1-2-30-21(27)19(24-12-11-16-5-3-4-6-17(16)14-24)20(26)23-22-13-15-7-9-18(10-8-15)25(28)29/h3-14,19H,2H2,1H3/p+1/b22-13+
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n/an/a 3.80n/an/an/an/an/an/a



Assiut University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondria MAO-A by spectrofluorimetry


Eur J Med Chem 93: 481-91 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.039
BindingDB Entry DOI: 10.7270/Q2FX7C5D
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Bos taurus)
BDBM50078677
PNG
(CHEMBL3415442)
Show SMILES N\N=C\c1ccc(Cl)cc1
Show InChI InChI=1S/C7H7ClN2/c8-7-3-1-6(2-4-7)5-10-9/h1-5H,9H2/b10-5+
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n/an/a 3.90n/an/an/an/an/an/a



Assiut University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondria MAO-A by spectrofluorimetry


Eur J Med Chem 93: 481-91 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.039
BindingDB Entry DOI: 10.7270/Q2FX7C5D
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50327216
PNG
(3-Benzyl-2-(2-(2-chlorobenzylidene)hydrazinyl)quin...)
Show SMILES Clc1ccccc1CN=Nc1nc2ccccc2nc1Cc1ccccc1 |w:9.10|
Show InChI InChI=1S/C22H17ClN4/c23-18-11-5-4-10-17(18)15-24-27-22-21(14-16-8-2-1-3-9-16)25-19-12-6-7-13-20(19)26-22/h1-13H,14-15H2
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n/an/a 5.80n/an/an/an/an/an/a



Alexandria University

Curated by ChEMBL


Assay Description
Inhibition of MAOA by spectrophotometry


Eur J Med Chem 45: 4479-89 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.008
BindingDB Entry DOI: 10.7270/Q21G0N86
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50327220
PNG
(4-Benzyl-1-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]...)
Show SMILES Clc1ccccc1-c1nnc2c(Cc3ccccc3)nc3ccccc3n12
Show InChI InChI=1S/C22H15ClN4/c23-17-11-5-4-10-16(17)21-25-26-22-19(14-15-8-2-1-3-9-15)24-18-12-6-7-13-20(18)27(21)22/h1-13H,14H2
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n/an/a 6.10n/an/an/an/an/an/a



Alexandria University

Curated by ChEMBL


Assay Description
Inhibition of MAOA by spectrophotometry


Eur J Med Chem 45: 4479-89 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.008
BindingDB Entry DOI: 10.7270/Q21G0N86
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Bos taurus)
BDBM50078679
PNG
(CHEMBL3415439)
Show SMILES CCOC(=O)C(C(=O)NCCc1ccccc1)[n+]1ccc2ccccc2c1
Show InChI InChI=1S/C22H22N2O3/c1-2-27-22(26)20(21(25)23-14-12-17-8-4-3-5-9-17)24-15-13-18-10-6-7-11-19(18)16-24/h3-11,13,15-16,20H,2,12,14H2,1H3/p+1
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n/an/a 6.20n/an/an/an/an/an/a



Assiut University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondria MAO-A by spectrofluorimetry


Eur J Med Chem 93: 481-91 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.039
BindingDB Entry DOI: 10.7270/Q2FX7C5D
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50327222
PNG
(4-Benzoyl-1-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-...)
Show SMILES COc1ccc(cc1)-c1nnc2c(nc3ccccc3n12)C(=O)c1ccccc1
Show InChI InChI=1S/C23H16N4O2/c1-29-17-13-11-16(12-14-17)22-25-26-23-20(21(28)15-7-3-2-4-8-15)24-18-9-5-6-10-19(18)27(22)23/h2-14H,1H3
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n/an/a 6.20n/an/an/an/an/an/a



Alexandria University

Curated by ChEMBL


Assay Description
Inhibition of MAOA by spectrophotometry


Eur J Med Chem 45: 4479-89 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.008
BindingDB Entry DOI: 10.7270/Q21G0N86
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50327214
PNG
(2-(2-(Benzo[d][1,3]dioxol-5-ylmethylene)hydrazinyl...)
Show SMILES C(N=Nc1nc2ccccc2nc1Cc1ccccc1)c1ccc2OCOc2c1 |w:2.2|
Show InChI InChI=1S/C23H18N4O2/c1-2-6-16(7-3-1)12-20-23(26-19-9-5-4-8-18(19)25-20)27-24-14-17-10-11-21-22(13-17)29-15-28-21/h1-11,13H,12,14-15H2
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n/an/a 6.30n/an/an/an/an/an/a



Alexandria University

Curated by ChEMBL


Assay Description
Inhibition of MAOA by spectrophotometry


Eur J Med Chem 45: 4479-89 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.008
BindingDB Entry DOI: 10.7270/Q21G0N86
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Bos taurus)
BDBM50073535
PNG
(CHEMBL3408922)
Show SMILES COc1ccc(\C=N\NC(=O)Cn2c3ccccc3nc(Cc3ccccc3)c2=O)cc1
Show InChI InChI=1S/C25H22N4O3/c1-32-20-13-11-19(12-14-20)16-26-28-24(30)17-29-23-10-6-5-9-21(23)27-22(25(29)31)15-18-7-3-2-4-8-18/h2-14,16H,15,17H2,1H3,(H,28,30)/b26-16+
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n/an/a 6.60n/an/an/an/an/an/a



Alexandria University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAO-A preincubated for 60 mins before substrate addition by fluorimetric method


Eur J Med Chem 93: 308-20 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.020
BindingDB Entry DOI: 10.7270/Q2VH5QJ9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50327221
PNG
(4-Benzoyl-1-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[...)
Show SMILES COc1ccc(cc1OC)-c1nnc2c(nc3ccccc3n12)C(=O)c1ccccc1
Show InChI InChI=1S/C24H18N4O3/c1-30-19-13-12-16(14-20(19)31-2)23-26-27-24-21(22(29)15-8-4-3-5-9-15)25-17-10-6-7-11-18(17)28(23)24/h3-14H,1-2H3
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n/an/a 6.80n/an/an/an/an/an/a



Alexandria University

Curated by ChEMBL


Assay Description
Inhibition of MAOA by spectrophotometry


Eur J Med Chem 45: 4479-89 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.008
BindingDB Entry DOI: 10.7270/Q21G0N86
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Bos taurus)
BDBM50073540
PNG
(CHEMBL3408927)
Show SMILES O=C(Cn1c2ccccc2nc(Cc2ccccc2)c1=O)N\N=C1\C(=O)Nc2ccccc12
Show InChI InChI=1S/C25H19N5O3/c31-22(28-29-23-17-10-4-5-11-18(17)27-24(23)32)15-30-21-13-7-6-12-19(21)26-20(25(30)33)14-16-8-2-1-3-9-16/h1-13H,14-15H2,(H,28,31)(H,27,29,32)
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n/an/a 7.30n/an/an/an/an/an/a



Alexandria University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAO-A preincubated for 60 mins before substrate addition by fluorimetric method


Eur J Med Chem 93: 308-20 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.020
BindingDB Entry DOI: 10.7270/Q2VH5QJ9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50179018
PNG
(1-(3-benzyl-6,7-dichloroquinoxalin-2-yl)hydrazine ...)
Show SMILES NNc1nc2cc(Cl)c(Cl)cc2nc1Cc1ccccc1
Show InChI InChI=1S/C15H12Cl2N4/c16-10-7-12-13(8-11(10)17)20-15(21-18)14(19-12)6-9-4-2-1-3-5-9/h1-5,7-8H,6,18H2,(H,20,21)
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n/an/a 7.60n/an/an/an/an/an/a



University of Alexandria

Curated by ChEMBL


Assay Description
Inhibition of rat liver mitochondria MAOA


Bioorg Med Chem Lett 16: 1753-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.088
BindingDB Entry DOI: 10.7270/Q2DZ07V3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Bos taurus)
BDBM50097460
PNG
(CHEMBL3585818)
Show SMILES COC(=O)C(C)N1C(Nc2ccccc2C1=O)c1ccco1
Show InChI InChI=1S/C16H16N2O4/c1-10(16(20)21-2)18-14(13-8-5-9-22-13)17-12-7-4-3-6-11(12)15(18)19/h3-10,14,17H,1-2H3
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n/an/a 8.20n/an/an/an/an/an/a



Alexandria University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondria MAO-A using serotonin substrate after 60 mins by fluorimetric method


Bioorg Med Chem 23: 3574-85 (2015)


Article DOI: 10.1016/j.bmc.2015.04.021
BindingDB Entry DOI: 10.7270/Q28K7BVZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Bos taurus)
BDBM50073536
PNG
(CHEMBL3408923)
Show SMILES Clc1ccc(\C=N\NC(=O)Cn2c3ccccc3nc(Cc3ccccc3)c2=O)cc1
Show InChI InChI=1S/C24H19ClN4O2/c25-19-12-10-18(11-13-19)15-26-28-23(30)16-29-22-9-5-4-8-20(22)27-21(24(29)31)14-17-6-2-1-3-7-17/h1-13,15H,14,16H2,(H,28,30)/b26-15+
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n/an/a 8.40n/an/an/an/an/an/a



Alexandria University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAO-A preincubated for 60 mins before substrate addition by fluorimetric method


Eur J Med Chem 93: 308-20 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.020
BindingDB Entry DOI: 10.7270/Q2VH5QJ9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50378840
PNG
(CHEMBL1258274)
Show SMILES [O-][N+](=O)c1ccc(CN=Nc2nc3ccccc3nc2Cc2ccccc2)cc1 |w:9.9|
Show InChI InChI=1S/C22H17N5O2/c28-27(29)18-12-10-17(11-13-18)15-23-26-22-21(14-16-6-2-1-3-7-16)24-19-8-4-5-9-20(19)25-22/h1-13H,14-15H2
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n/an/a 8.80n/an/an/an/an/an/a



Alexandria University

Curated by ChEMBL


Assay Description
Inhibition of MAOA by spectrophotometry


Eur J Med Chem 45: 4479-89 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.008
BindingDB Entry DOI: 10.7270/Q21G0N86
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50179015
PNG
(1-(3-benzylquinoxalin-2-yl)hydrazine | CHEMBL37967...)
Show SMILES NNc1nc2ccccc2nc1Cc1ccccc1
Show InChI InChI=1S/C15H14N4/c16-19-15-14(10-11-6-2-1-3-7-11)17-12-8-4-5-9-13(12)18-15/h1-9H,10,16H2,(H,18,19)
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n/an/a 8.80n/an/an/an/an/an/a



University of Alexandria

Curated by ChEMBL


Assay Description
Inhibition of rat liver mitochondria MAOA


Bioorg Med Chem Lett 16: 1753-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.088
BindingDB Entry DOI: 10.7270/Q2DZ07V3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50327223
PNG
(4-Benzoyl-1-(3-bromo-4-(N,N-dimethylaminophenyl))-...)
Show SMILES CN(C)c1ccc(cc1Br)-c1nnc2c(nc3ccccc3n12)C(=O)c1ccccc1
Show InChI InChI=1S/C24H18BrN5O/c1-29(2)19-13-12-16(14-17(19)25)23-27-28-24-21(22(31)15-8-4-3-5-9-15)26-18-10-6-7-11-20(18)30(23)24/h3-14H,1-2H3
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n/an/a 9.60n/an/an/an/an/an/a



Alexandria University

Curated by ChEMBL


Assay Description
Inhibition of MAOA by spectrophotometry


Eur J Med Chem 45: 4479-89 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.008
BindingDB Entry DOI: 10.7270/Q21G0N86
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50378839
PNG
(CHEMBL1258160)
Show SMILES CC(N=Nc1nc2ccccc2nc1Cc1ccccc1)c1ccc(N)cc1 |w:3.3|
Show InChI InChI=1S/C23H21N5/c1-16(18-11-13-19(24)14-12-18)27-28-23-22(15-17-7-3-2-4-8-17)25-20-9-5-6-10-21(20)26-23/h2-14,16H,15,24H2,1H3
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n/an/a 9.80n/an/an/an/an/an/a



Alexandria University

Curated by ChEMBL


Assay Description
Inhibition of MAOA by spectrophotometry


Eur J Med Chem 45: 4479-89 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.008
BindingDB Entry DOI: 10.7270/Q21G0N86
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50327219
PNG
(3-Benzyl-2-(2-(3-bromobenzylidene)hydrazinyl)quino...)
Show SMILES Brc1cccc(CN=Nc2nc3ccccc3nc2Cc2ccccc2)c1 |w:8.8|
Show InChI InChI=1S/C22H17BrN4/c23-18-10-6-9-17(13-18)15-24-27-22-21(14-16-7-2-1-3-8-16)25-19-11-4-5-12-20(19)26-22/h1-13H,14-15H2
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n/an/a 9.80n/an/an/an/an/an/a



Alexandria University

Curated by ChEMBL


Assay Description
Inhibition of MAOA by spectrophotometry


Eur J Med Chem 45: 4479-89 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.008
BindingDB Entry DOI: 10.7270/Q21G0N86
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Bos taurus)
BDBM50093711
PNG
(CHEMBL3585838)
Show SMILES NNC(=O)CCN1C(Nc2ccccc2C1=O)c1ccccc1
Show InChI InChI=1S/C17H18N4O2/c18-20-15(22)10-11-21-16(12-6-2-1-3-7-12)19-14-9-5-4-8-13(14)17(21)23/h1-9,16,19H,10-11,18H2,(H,20,22)
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n/an/a 16n/an/an/an/an/an/a



Alexandria University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondria MAO-A using serotonin substrate after 60 mins by fluorimetric method


Bioorg Med Chem 23: 3574-85 (2015)


Article DOI: 10.1016/j.bmc.2015.04.021
BindingDB Entry DOI: 10.7270/Q28K7BVZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50088560
PNG
(CHEMBL3577045)
Show SMILES COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1
Show InChI InChI=1S/C21H21N3O6/c1-13(25)23-17-6-4-3-5-16(17)19(27)21(29)24-15-9-7-14(8-10-15)20(28)22-12-11-18(26)30-2/h3-10H,11-12H2,1-2H3,(H,22,28)(H,23,25)(H,24,29)
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n/an/a 18n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in rat liver mitochondria using serotonin as substrate preincubated with enzyme for 60 mins prior to substrate addition


Bioorg Med Chem Lett 25: 70-4 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.007
BindingDB Entry DOI: 10.7270/Q24F1SGH
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Bos taurus)
BDBM50093778
PNG
(CHEMBL3585828)
Show SMILES NNC(=O)C(Cc1ccccc1)N1C(Nc2ccccc2C1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H21N6O9P/c16-6(1-2-8(22)23)15(26)30-31(27,28)3-7-10(24)11(25)14(29-7)21-5-20-9-12(17)18-4-19-13(9)21/h4-7,10-11,14,24-25H,1-3,16H2,(H,22,23)(H,27,28)(H2,17,18,19)/t6?,7-,10?,11?,14?/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Alexandria University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondria MAO-A using serotonin substrate after 60 mins by fluorimetric method


Bioorg Med Chem 23: 3574-85 (2015)


Article DOI: 10.1016/j.bmc.2015.04.021
BindingDB Entry DOI: 10.7270/Q28K7BVZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Bos taurus)
BDBM50073537
PNG
(CHEMBL3408924)
Show SMILES Brc1ccc(\C=N\NC(=O)Cn2c3ccccc3nc(Cc3ccccc3)c2=O)cc1
Show InChI InChI=1S/C24H19BrN4O2/c25-19-12-10-18(11-13-19)15-26-28-23(30)16-29-22-9-5-4-8-20(22)27-21(24(29)31)14-17-6-2-1-3-7-17/h1-13,15H,14,16H2,(H,28,30)/b26-15+
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n/an/a 22n/an/an/an/an/an/a



Alexandria University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAO-A preincubated for 60 mins before substrate addition by fluorimetric method


Eur J Med Chem 93: 308-20 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.020
BindingDB Entry DOI: 10.7270/Q2VH5QJ9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50378847
PNG
(CHEMBL1258718)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1nnc2c(nc3ccccc3n12)C(=O)c1ccccc1
Show InChI InChI=1S/C22H13N5O3/c28-20(14-6-2-1-3-7-14)19-22-25-24-21(15-10-12-16(13-11-15)27(29)30)26(22)18-9-5-4-8-17(18)23-19/h1-13H
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n/an/a 22n/an/an/an/an/an/a



Alexandria University

Curated by ChEMBL


Assay Description
Inhibition of MAOA by spectrophotometry


Eur J Med Chem 45: 4479-89 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.008
BindingDB Entry DOI: 10.7270/Q21G0N86
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Bos taurus)
BDBM50093779
PNG
(CHEMBL3585827)
Show SMILES NNC(=O)C(Cc1ccccc1)N1C(Nc2ccccc2C1=O)c1ccco1
Show InChI InChI=1S/C21H20N4O3/c22-24-20(26)17(13-14-7-2-1-3-8-14)25-19(18-11-6-12-28-18)23-16-10-5-4-9-15(16)21(25)27/h1-12,17,19,23H,13,22H2,(H,24,26)
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n/an/a 28n/an/an/an/an/an/a



Alexandria University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondria MAO-A using serotonin substrate after 60 mins by fluorimetric method


Bioorg Med Chem 23: 3574-85 (2015)


Article DOI: 10.1016/j.bmc.2015.04.021
BindingDB Entry DOI: 10.7270/Q28K7BVZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50378851
PNG
(CHEMBL1257341)
Show SMILES COc1cc(cc(OC)c1OC)C(C)N=Nc1nc2ccccc2nc1Cc1ccccc1 |w:15.16|
Show InChI InChI=1S/C26H26N4O3/c1-17(19-15-23(31-2)25(33-4)24(16-19)32-3)29-30-26-22(14-18-10-6-5-7-11-18)27-20-12-8-9-13-21(20)28-26/h5-13,15-17H,14H2,1-4H3
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n/an/a 29n/an/an/an/an/an/a



Alexandria University

Curated by ChEMBL


Assay Description
Inhibition of MAOA by spectrophotometry


Eur J Med Chem 45: 4479-89 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.008
BindingDB Entry DOI: 10.7270/Q21G0N86
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Bos taurus)
BDBM50093710
PNG
(CHEMBL3585839)
Show SMILES NNC(=O)CCN1C(Nc2ccccc2C1=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C18H18N4O4/c19-21-16(23)7-8-22-17(11-5-6-14-15(9-11)26-10-25-14)20-13-4-2-1-3-12(13)18(22)24/h1-6,9,17,20H,7-8,10,19H2,(H,21,23)
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n/an/a 32n/an/an/an/an/an/a



Alexandria University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondria MAO-A using serotonin substrate after 60 mins by fluorimetric method


Bioorg Med Chem 23: 3574-85 (2015)


Article DOI: 10.1016/j.bmc.2015.04.021
BindingDB Entry DOI: 10.7270/Q28K7BVZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Bos taurus)
BDBM50097420
PNG
(CHEMBL3585826)
Show SMILES CC(N1C(Nc2ccccc2C1=O)c1ccco1)C(=O)NN
Show InChI InChI=1S/C15H16N4O3/c1-9(14(20)18-16)19-13(12-7-4-8-22-12)17-11-6-3-2-5-10(11)15(19)21/h2-9,13,17H,16H2,1H3,(H,18,20)
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n/an/a 32n/an/an/an/an/an/a



Alexandria University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondria MAO-A using serotonin substrate after 60 mins by fluorimetric method


Bioorg Med Chem 23: 3574-85 (2015)


Article DOI: 10.1016/j.bmc.2015.04.021
BindingDB Entry DOI: 10.7270/Q28K7BVZ
More data for this
Ligand-Target Pair
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