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PubMed code 12443791

Compile data set for download or QSAR
Found 14 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] A


(Bos taurus)
BDBM50121457
PNG
(1-[3-(2,4-Dihydroxy-phenyl)-5-m-tolyl-4,5-dihydro-...)
Show SMILES CC(=O)N1N=C(CC1c1cccc(C)c1)c1ccc(O)cc1O |c:4|
Show InChI InChI=1S/C18H18N2O3/c1-11-4-3-5-13(8-11)17-10-16(19-20(17)12(2)21)15-7-6-14(22)9-18(15)23/h3-9,17,22-23H,10H2,1-2H3
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13n/an/an/an/an/an/an/an/a



Università di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibiting activityof the compound was determined against bovine Monoamine oxidase A


Bioorg Med Chem Lett 12: 3629-33 (2002)


BindingDB Entry DOI: 10.7270/Q22B8XD8
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50121456
PNG
(1-[3-(2,4-Dihydroxy-phenyl)-5-o-tolyl-4,5-dihydro-...)
Show SMILES CC(=O)N1N=C(CC1c1ccccc1C)c1ccc(O)cc1O |c:4|
Show InChI InChI=1S/C18H18N2O3/c1-11-5-3-4-6-14(11)17-10-16(19-20(17)12(2)21)15-8-7-13(22)9-18(15)23/h3-9,17,22-23H,10H2,1-2H3
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30n/an/an/an/an/an/an/an/a



Università di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibiting activityof the compound was determined against human Monoamine oxidase B


Bioorg Med Chem Lett 12: 3629-33 (2002)


BindingDB Entry DOI: 10.7270/Q22B8XD8
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50121457
PNG
(1-[3-(2,4-Dihydroxy-phenyl)-5-m-tolyl-4,5-dihydro-...)
Show SMILES CC(=O)N1N=C(CC1c1cccc(C)c1)c1ccc(O)cc1O |c:4|
Show InChI InChI=1S/C18H18N2O3/c1-11-4-3-5-13(8-11)17-10-16(19-20(17)12(2)21)15-7-6-14(22)9-18(15)23/h3-9,17,22-23H,10H2,1-2H3
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38n/an/an/an/an/an/an/an/a



Università di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibiting activityof the compound was determined against human Monoamine oxidase B


Bioorg Med Chem Lett 12: 3629-33 (2002)


BindingDB Entry DOI: 10.7270/Q22B8XD8
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A/B


(Bos taurus)
BDBM50121457
PNG
(1-[3-(2,4-Dihydroxy-phenyl)-5-m-tolyl-4,5-dihydro-...)
Show SMILES CC(=O)N1N=C(CC1c1cccc(C)c1)c1ccc(O)cc1O |c:4|
Show InChI InChI=1S/C18H18N2O3/c1-11-4-3-5-13(8-11)17-10-16(19-20(17)12(2)21)15-7-6-14(22)9-18(15)23/h3-9,17,22-23H,10H2,1-2H3
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50n/an/an/an/an/an/an/an/a



Università di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase from Bovine brain mitochondria


Bioorg Med Chem Lett 12: 3629-33 (2002)


BindingDB Entry DOI: 10.7270/Q22B8XD8
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Bos taurus)
BDBM50121456
PNG
(1-[3-(2,4-Dihydroxy-phenyl)-5-o-tolyl-4,5-dihydro-...)
Show SMILES CC(=O)N1N=C(CC1c1ccccc1C)c1ccc(O)cc1O |c:4|
Show InChI InChI=1S/C18H18N2O3/c1-11-5-3-4-6-14(11)17-10-16(19-20(17)12(2)21)15-8-7-13(22)9-18(15)23/h3-9,17,22-23H,10H2,1-2H3
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52n/an/an/an/an/an/an/an/a



Università di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibiting activityof the compound was determined against bovine Monoamine oxidase A


Bioorg Med Chem Lett 12: 3629-33 (2002)


BindingDB Entry DOI: 10.7270/Q22B8XD8
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A/B


(Bos taurus)
BDBM50121456
PNG
(1-[3-(2,4-Dihydroxy-phenyl)-5-o-tolyl-4,5-dihydro-...)
Show SMILES CC(=O)N1N=C(CC1c1ccccc1C)c1ccc(O)cc1O |c:4|
Show InChI InChI=1S/C18H18N2O3/c1-11-5-3-4-6-14(11)17-10-16(19-20(17)12(2)21)15-8-7-13(22)9-18(15)23/h3-9,17,22-23H,10H2,1-2H3
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80n/an/an/an/an/an/an/an/a



Università di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase from Bovine brain mitochondria


Bioorg Med Chem Lett 12: 3629-33 (2002)


BindingDB Entry DOI: 10.7270/Q22B8XD8
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A/B


(Bos taurus)
BDBM50121455
PNG
(1-[3-(2-Hydroxy-phenyl)-5-m-tolyl-4,5-dihydro-pyra...)
Show SMILES CC(=O)N1N=C(CC1c1cccc(C)c1)c1ccccc1O |c:4|
Show InChI InChI=1S/C18H18N2O2/c1-12-6-5-7-14(10-12)17-11-16(19-20(17)13(2)21)15-8-3-4-9-18(15)22/h3-10,17,22H,11H2,1-2H3
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5.50E+3n/an/an/an/an/an/an/an/a



Università di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase from Bovine brain mitochondria


Bioorg Med Chem Lett 12: 3629-33 (2002)


BindingDB Entry DOI: 10.7270/Q22B8XD8
More data for this
Ligand-Target Pair
Amiloride-sensitive amine oxidase [copper-containing]


(Homo sapiens (Human))
BDBM50121458
PNG
(1-[3-(2-Hydroxy-phenyl)-5-o-tolyl-4,5-dihydro-pyra...)
Show SMILES CC(=O)N1N=C(CC1c1ccccc1C)c1ccccc1O |c:4|
Show InChI InChI=1S/C18H18N2O2/c1-12-7-3-4-8-14(12)17-11-16(19-20(17)13(2)21)15-9-5-6-10-18(15)22/h3-10,17,22H,11H2,1-2H3
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5.50E+3n/an/an/an/an/an/an/an/a



Università di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Swine kidney diamine oxidase (SKDAO)


Bioorg Med Chem Lett 12: 3629-33 (2002)


BindingDB Entry DOI: 10.7270/Q22B8XD8
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A/B


(Bos taurus)
BDBM50045442
PNG
(CHEMBL332286)
Show SMILES CC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1ccccc1 |c:4|
Show InChI InChI=1S/C17H15ClN2O/c1-12(21)20-17(14-7-9-15(18)10-8-14)11-16(19-20)13-5-3-2-4-6-13/h2-10,17H,11H2,1H3
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6.00E+3n/an/an/an/an/an/an/an/a



Università di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase from Bovine brain mitochondria


Bioorg Med Chem Lett 12: 3629-33 (2002)


BindingDB Entry DOI: 10.7270/Q22B8XD8
More data for this
Ligand-Target Pair
Amiloride-sensitive amine oxidase [copper-containing]


(Homo sapiens (Human))
BDBM50121455
PNG
(1-[3-(2-Hydroxy-phenyl)-5-m-tolyl-4,5-dihydro-pyra...)
Show SMILES CC(=O)N1N=C(CC1c1cccc(C)c1)c1ccccc1O |c:4|
Show InChI InChI=1S/C18H18N2O2/c1-12-6-5-7-14(10-12)17-11-16(19-20(17)13(2)21)15-8-3-4-9-18(15)22/h3-10,17,22H,11H2,1-2H3
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8.00E+3n/an/an/an/an/an/an/an/a



Università di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Swine kidney diamine oxidase (SKDAO)


Bioorg Med Chem Lett 12: 3629-33 (2002)


BindingDB Entry DOI: 10.7270/Q22B8XD8
More data for this
Ligand-Target Pair
Amiloride-sensitive amine oxidase [copper-containing]


(Homo sapiens (Human))
BDBM50121457
PNG
(1-[3-(2,4-Dihydroxy-phenyl)-5-m-tolyl-4,5-dihydro-...)
Show SMILES CC(=O)N1N=C(CC1c1cccc(C)c1)c1ccc(O)cc1O |c:4|
Show InChI InChI=1S/C18H18N2O3/c1-11-4-3-5-13(8-11)17-10-16(19-20(17)12(2)21)15-7-6-14(22)9-18(15)23/h3-9,17,22-23H,10H2,1-2H3
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2.50E+4n/an/an/an/an/an/an/an/a



Università di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Swine kidney diamine oxidase (SKDAO)


Bioorg Med Chem Lett 12: 3629-33 (2002)


BindingDB Entry DOI: 10.7270/Q22B8XD8
More data for this
Ligand-Target Pair
Amiloride-sensitive amine oxidase [copper-containing]


(Homo sapiens (Human))
BDBM50121456
PNG
(1-[3-(2,4-Dihydroxy-phenyl)-5-o-tolyl-4,5-dihydro-...)
Show SMILES CC(=O)N1N=C(CC1c1ccccc1C)c1ccc(O)cc1O |c:4|
Show InChI InChI=1S/C18H18N2O3/c1-11-5-3-4-6-14(11)17-10-16(19-20(17)12(2)21)15-8-7-13(22)9-18(15)23/h3-9,17,22-23H,10H2,1-2H3
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1.00E+5n/an/an/an/an/an/an/an/a



Università di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Swine kidney diamine oxidase (SKDAO)


Bioorg Med Chem Lett 12: 3629-33 (2002)


BindingDB Entry DOI: 10.7270/Q22B8XD8
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A/B


(Bos taurus)
BDBM50218604
PNG
(CHEMBL331960)
Show SMILES CC(=O)N1N=C(CC1c1cccc(C)c1)c1ccccc1 |c:4|
Show InChI InChI=1S/C18H18N2O/c1-13-7-6-10-16(11-13)18-12-17(19-20(18)14(2)21)15-8-4-3-5-9-15/h3-11,18H,12H2,1-2H3
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2.00E+5n/an/an/an/an/an/an/an/a



Università di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase from Bovine brain mitochondria


Bioorg Med Chem Lett 12: 3629-33 (2002)


BindingDB Entry DOI: 10.7270/Q22B8XD8
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A/B


(Bos taurus)
BDBM50121458
PNG
(1-[3-(2-Hydroxy-phenyl)-5-o-tolyl-4,5-dihydro-pyra...)
Show SMILES CC(=O)N1N=C(CC1c1ccccc1C)c1ccccc1O |c:4|
Show InChI InChI=1S/C18H18N2O2/c1-12-7-3-4-8-14(12)17-11-16(19-20(17)13(2)21)15-9-5-6-10-18(15)22/h3-10,17,22H,11H2,1-2H3
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3.00E+5n/an/an/an/an/an/an/an/a



Università di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase at the selectivity factor of 4000


Bioorg Med Chem Lett 12: 3629-33 (2002)


BindingDB Entry DOI: 10.7270/Q22B8XD8
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%