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Compile Data Set for Download or QSAR

Found 113 hits of ic50 for UniProtKB: P21398   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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


(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


(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


(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


(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)
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



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)
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


(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


(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 3.70n/an/an/an/an/an/a



Manipal College of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in bovine brain mitochondria using serotonin as substrate preincubated for 30 mins measured after 30 mins by spectrofluorimetric ...


Bioorg Med Chem Lett 25: 5281-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.048
BindingDB Entry DOI: 10.7270/Q2M90BH5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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


(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


(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


(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


(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


(Bos taurus)
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 10n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of bovine MAO-A by fluorimetric method


J Nat Prod 69: 945-9 (2006)


Article DOI: 10.1021/np060015w
BindingDB Entry DOI: 10.7270/Q2542NC3
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


(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


(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


(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
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)
BDBM50073510
PNG
(CHEMBL3408909)
Show SMILES Clc1ccc(cc1)C(=O)NNc1nc2ccccc2nc1Cc1ccccc1
Show InChI InChI=1S/C22H17ClN4O/c23-17-12-10-16(11-13-17)22(28)27-26-21-20(14-15-6-2-1-3-7-15)24-18-8-4-5-9-19(18)25-21/h1-13H,14H2,(H,25,26)(H,27,28)
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n/an/a 34n/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)
BDBM50073543
PNG
(CHEMBL3408930)
Show SMILES CC(C)(C)OC(=O)C(Cc1ccc(OC(C)(C)C)cc1)NC(=O)Cn1c2ccccc2nc(Cc2ccccc2)c1=O
Show InChI InChI=1S/C34H39N3O5/c1-33(2,3)41-25-18-16-24(17-19-25)21-28(32(40)42-34(4,5)6)36-30(38)22-37-29-15-11-10-14-26(29)35-27(31(37)39)20-23-12-8-7-9-13-23/h7-19,28H,20-22H2,1-6H3,(H,36,38)
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n/an/a 36n/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)
BDBM50097457
PNG
(CHEMBL3585823)
Show SMILES NNC(=O)CN1C(Nc2ccccc2C1=O)c1ccco1
Show InChI InChI=1S/C14H14N4O3/c15-17-12(19)8-18-13(11-6-3-7-21-11)16-10-5-2-1-4-9(10)14(18)20/h1-7,13,16H,8,15H2,(H,17,19)
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n/an/a 36n/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)
BDBM50093694
PNG
(CHEMBL3585843)
Show SMILES NNC(=O)CCCN1C(Nc2ccccc2C1=O)c1ccco1
Show InChI InChI=1S/C18H19ClN4/c1-12-20-16-11-15(13-5-7-14(19)8-6-13)22-17(16)18(21-12)23-9-3-2-4-10-23/h5-8,11,22H,2-4,9-10H2,1H3
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n/an/a 36n/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)
BDBM50097470
PNG
(CHEMBL3585807)
Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1N |r|
Show InChI InChI=1S/C17H18N2O3/c1-22-17(21)15(11-12-7-3-2-4-8-12)19-16(20)13-9-5-6-10-14(13)18/h2-10,15H,11,18H2,1H3,(H,19,20)/t15-/m0/s1
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n/an/a 38n/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)
BDBM50097438
PNG
(CHEMBL3585821)
Show SMILES NNC(=O)CN1C(Nc2ccccc2C1=O)c1ccccc1
Show InChI InChI=1S/C16H16N4O2/c17-19-14(21)10-20-15(11-6-2-1-3-7-11)18-13-9-5-4-8-12(13)16(20)22/h1-9,15,18H,10,17H2,(H,19,21)
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n/an/a 38n/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)
BDBM50097465
PNG
(CHEMBL3585816)
Show SMILES COC(=O)C(C)N1C(Nc2ccccc2C1=O)c1ccccc1
Show InChI InChI=1S/C18H18N2O3/c1-12(18(22)23-2)20-16(13-8-4-3-5-9-13)19-15-11-7-6-10-14(15)17(20)21/h3-12,16,19H,1-2H3
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n/an/a 39n/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


(Bos taurus)
BDBM50097462
PNG
(CHEMBL3585820)
Show SMILES COC(=O)C(Cc1ccccc1)N1C(Nc2ccccc2C1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H21ClN2O3/c1-30-24(29)21(15-16-7-3-2-4-8-16)27-22(17-11-13-18(25)14-12-17)26-20-10-6-5-9-19(20)23(27)28/h2-14,21-22,26H,15H2,1H3
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n/an/a 42n/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)
BDBM50097469
PNG
(CHEMBL3585813)
Show SMILES COC(=O)CN1C(Nc2ccccc2C1=O)c1ccco1
Show InChI InChI=1S/C15H14N2O4/c1-20-13(18)9-17-14(12-7-4-8-21-12)16-11-6-3-2-5-10(11)15(17)19/h2-8,14,16H,9H2,1H3
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n/an/a 44n/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)
BDBM50093609
PNG
(CHEMBL3585836)
Show SMILES COC(=O)CCCCCN1C(Nc2ccccc2C1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClN2O3/c1-27-19(25)9-3-2-6-14-24-20(15-10-12-16(22)13-11-15)23-18-8-5-4-7-17(18)21(24)26/h4-5,7-8,10-13,20,23H,2-3,6,9,14H2,1H3
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n/an/a 44n/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)
BDBM50093707
PNG
(CHEMBL3585841)
Show SMILES NNC(=O)CCCN1C(Nc2ccccc2C1=O)c1ccccc1
Show InChI InChI=1S/C18H19ClN4/c1-12-20-16-11-15(13-6-5-7-14(19)10-13)22-17(16)18(21-12)23-8-3-2-4-9-23/h5-7,10-11,22H,2-4,8-9H2,1H3
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n/an/a 47n/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)
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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n/an/a 47n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113964
BindingDB Entry DOI: 10.7270/Q2BP06TV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Bos taurus)
BDBM50097458
PNG
(CHEMBL3585824)
Show SMILES NNC(=O)CN1C(Nc2ccccc2C1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H15ClN4O2/c17-11-7-5-10(6-8-11)15-19-13-4-2-1-3-12(13)16(23)21(15)9-14(22)20-18/h1-8,15,19H,9,18H2,(H,20,22)
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n/an/a 48n/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)
BDBM50097464
PNG
(CHEMBL3585815)
Show SMILES COC(=O)CN1C(Nc2ccccc2C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C18H18N2O4/c1-23-13-9-7-12(8-10-13)17-19-15-6-4-3-5-14(15)18(22)20(17)11-16(21)24-2/h3-10,17,19H,11H2,1-2H3
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n/an/a 48n/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


(Bos taurus)
BDBM50078678
PNG
(CHEMBL3415441)
Show SMILES N\N=C\c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C7H7N3O2/c8-9-5-6-1-3-7(4-2-6)10(11)12/h1-5H,8H2/b9-5+
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n/an/a 49n/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)
BDBM50093709
PNG
(CHEMBL3585840)
Show SMILES NNC(=O)CCN1C(Nc2ccccc2C1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H17ClN4O2/c18-12-7-5-11(6-8-12)16-20-14-4-2-1-3-13(14)17(24)22(16)10-9-15(23)21-19/h1-8,16,20H,9-10,19H2,(H,21,23)
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n/an/a 51n/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)
BDBM50073514
PNG
(CHEMBL3408913)
Show SMILES Cc1ccc(cc1)C(=O)NNC(=O)Cn1c2ccccc2nc(Cc2ccccc2)c1=O
Show InChI InChI=1S/C25H22N4O3/c1-17-11-13-19(14-12-17)24(31)28-27-23(30)16-29-22-10-6-5-9-20(22)26-21(25(29)32)15-18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H,27,30)(H,28,31)
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n/an/a 52n/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)
BDBM50093668
PNG
(CHEMBL3585806)
Show SMILES COC(=O)CNC(=O)c1ccccc1N
Show InChI InChI=1S/C18H18F2N4/c1-11-21-16-10-15(12-5-6-13(19)14(20)9-12)23-17(16)18(22-11)24-7-3-2-4-8-24/h5-6,9-10,23H,2-4,7-8H2,1H3
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n/an/a 52n/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)
BDBM50073529
PNG
(CHEMBL3408916)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)NNC(=O)Cn1c2ccccc2nc(Cc2ccccc2)c1=O
Show InChI InChI=1S/C24H19N5O5/c30-22(26-27-23(31)17-10-12-18(13-11-17)29(33)34)15-28-21-9-5-4-8-19(21)25-20(24(28)32)14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,26,30)(H,27,31)
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n/an/a 56n/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)
BDBM50097466
PNG
(CHEMBL3585810)
Show SMILES COC(=O)CCCCCNC(=O)c1ccccc1N
Show InChI InChI=1S/C14H20N2O3/c1-19-13(17)9-3-2-6-10-16-14(18)11-7-4-5-8-12(11)15/h4-5,7-8H,2-3,6,9-10,15H2,1H3,(H,16,18)
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n/an/a 56n/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)
BDBM50073541
PNG
(CHEMBL3408928)
Show SMILES CC(C)CC(NC(=O)Cn1c2ccccc2nc(Cc2ccccc2)c1=O)C(=O)OC(C)(C)C
Show InChI InChI=1S/C27H33N3O4/c1-18(2)15-22(26(33)34-27(3,4)5)29-24(31)17-30-23-14-10-9-13-20(23)28-21(25(30)32)16-19-11-7-6-8-12-19/h6-14,18,22H,15-17H2,1-5H3,(H,29,31)
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n/an/a 56n/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)
BDBM50097468
PNG
(CHEMBL3585812)
Show SMILES COC(=O)CN1C(Nc2ccccc2C1=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C18H16N2O5/c1-23-16(21)9-20-17(11-6-7-14-15(8-11)25-10-24-14)19-13-5-3-2-4-12(13)18(20)22/h2-8,17,19H,9-10H2,1H3
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n/an/a 61n/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)
BDBM50097471
PNG
(CHEMBL3585808)
Show SMILES COC(=O)CCNC(=O)c1ccccc1N
Show InChI InChI=1S/C11H14N2O3/c1-16-10(14)6-7-13-11(15)8-4-2-3-5-9(8)12/h2-5H,6-7,12H2,1H3,(H,13,15)
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n/an/a 62n/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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