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PubMed code 24099995

Compile data set for download or QSAR
Found 21 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


(Homo sapiens (Human))
BDBM50493741
PNG
(CHEMBL2437020)
Show SMILES Cc1ccc(cc1)C1CC(=NN1C(=O)Oc1ccccc1)c1ccccc1O |c:10|
Show InChI InChI=1S/C23H20N2O3/c1-16-11-13-17(14-12-16)21-15-20(19-9-5-6-10-22(19)26)24-25(21)23(27)28-18-7-3-2-4-8-18/h2-14,21,26H,15H2,1H3
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4n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant MAO-A expressed in baculovirus infected BT1 insect cells using p-tyramine as substrate by Lineweaver-Burk...


Eur J Med Chem 69: 762-7 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.010
BindingDB Entry DOI: 10.7270/Q2RB77JM
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50493741
PNG
(CHEMBL2437020)
Show SMILES Cc1ccc(cc1)C1CC(=NN1C(=O)Oc1ccccc1)c1ccccc1O |c:10|
Show InChI InChI=1S/C23H20N2O3/c1-16-11-13-17(14-12-16)21-15-20(19-9-5-6-10-22(19)26)24-25(21)23(27)28-18-7-3-2-4-8-18/h2-14,21,26H,15H2,1H3
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5n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Competitive reversible inhibition of human recombinant MAO-A expressed in baculovirus infected BT1 insect cells using p-tyramine as substrate assesse...


Eur J Med Chem 69: 762-7 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.010
BindingDB Entry DOI: 10.7270/Q2RB77JM
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


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



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Competitive reversible inhibition of human recombinant MAO-A expressed in baculovirus infected BT1 insect cells using p-tyramine as substrate assesse...


Eur J Med Chem 69: 762-7 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.010
BindingDB Entry DOI: 10.7270/Q2RB77JM
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50493747
PNG
(CHEMBL2437021)
Show SMILES Oc1ccccc1C1=NN(C(C1)c1ccc(Cl)cc1)C(=O)Oc1ccccc1 |t:8|
Show InChI InChI=1S/C22H17ClN2O3/c23-16-12-10-15(11-13-16)20-14-19(18-8-4-5-9-21(18)26)24-25(20)22(27)28-17-6-2-1-3-7-17/h1-13,20,26H,14H2
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30n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Competitive reversible inhibition of human recombinant MAO-A expressed in baculovirus infected BT1 insect cells using p-tyramine as substrate assesse...


Eur J Med Chem 69: 762-7 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.010
BindingDB Entry DOI: 10.7270/Q2RB77JM
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM15579
PNG
(CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...)
Show SMILES C[C@H](Cc1ccccc1)N(C)CC#C |r|
Show InChI InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1
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90n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Competitive reversible inhibition of human recombinant MAO-B expressed in baculovirus infected BT1 insect cells using p-tyramine as substrate assesse...


Eur J Med Chem 69: 762-7 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.010
BindingDB Entry DOI: 10.7270/Q2RB77JM
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50493742
PNG
(CHEMBL2437022)
Show SMILES Oc1ccccc1C1=NN(C(C1)c1ccccc1)C(=O)Oc1ccccc1 |t:8|
Show InChI InChI=1S/C22H18N2O3/c25-21-14-8-7-13-18(21)19-15-20(16-9-3-1-4-10-16)24(23-19)22(26)27-17-11-5-2-6-12-17/h1-14,20,25H,15H2
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250n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Competitive reversible inhibition of human recombinant MAO-A expressed in baculovirus infected BT1 insect cells using p-tyramine as substrate assesse...


Eur J Med Chem 69: 762-7 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.010
BindingDB Entry DOI: 10.7270/Q2RB77JM
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50493744
PNG
(CHEMBL2437019)
Show SMILES COc1ccc(cc1)C1CC(=NN1C(=O)Oc1ccccc1)c1ccccc1O |c:11|
Show InChI InChI=1S/C23H20N2O4/c1-28-17-13-11-16(12-14-17)21-15-20(19-9-5-6-10-22(19)26)24-25(21)23(27)29-18-7-3-2-4-8-18/h2-14,21,26H,15H2,1H3
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310n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Competitive reversible inhibition of human recombinant MAO-A expressed in baculovirus infected BT1 insect cells using p-tyramine as substrate assesse...


Eur J Med Chem 69: 762-7 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.010
BindingDB Entry DOI: 10.7270/Q2RB77JM
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50493748
PNG
(CHEMBL2437015)
Show SMILES CCOC(=O)N1N=C(CC1c1ccc(OC)cc1)c1ccccc1O |c:6|
Show InChI InChI=1S/C19H20N2O4/c1-3-25-19(23)21-17(13-8-10-14(24-2)11-9-13)12-16(20-21)15-6-4-5-7-18(15)22/h4-11,17,22H,3,12H2,1-2H3
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610n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Competitive reversible inhibition of human recombinant MAO-A expressed in baculovirus infected BT1 insect cells using p-tyramine as substrate assesse...


Eur J Med Chem 69: 762-7 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.010
BindingDB Entry DOI: 10.7270/Q2RB77JM
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50493745
PNG
(CHEMBL2437017)
Show SMILES CCOC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1ccccc1O |c:6|
Show InChI InChI=1S/C18H17ClN2O3/c1-2-24-18(23)21-16(12-7-9-13(19)10-8-12)11-15(20-21)14-5-3-4-6-17(14)22/h3-10,16,22H,2,11H2,1H3
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760n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Competitive reversible inhibition of human recombinant MAO-A expressed in baculovirus infected BT1 insect cells using p-tyramine as substrate assesse...


Eur J Med Chem 69: 762-7 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.010
BindingDB Entry DOI: 10.7270/Q2RB77JM
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50493743
PNG
(CHEMBL2437018)
Show SMILES CCOC(=O)N1N=C(CC1c1ccccc1)c1ccccc1O |c:6|
Show InChI InChI=1S/C18H18N2O3/c1-2-23-18(22)20-16(13-8-4-3-5-9-13)12-15(19-20)14-10-6-7-11-17(14)21/h3-11,16,21H,2,12H2,1H3
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810n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Competitive reversible inhibition of human recombinant MAO-A expressed in baculovirus infected BT1 insect cells using p-tyramine as substrate assesse...


Eur J Med Chem 69: 762-7 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.010
BindingDB Entry DOI: 10.7270/Q2RB77JM
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50493746
PNG
(CHEMBL2437016)
Show SMILES CCOC(=O)N1N=C(CC1c1ccc(C)cc1)c1ccccc1O |c:6|
Show InChI InChI=1S/C19H20N2O3/c1-3-24-19(23)21-17(14-10-8-13(2)9-11-14)12-16(20-21)15-6-4-5-7-18(15)22/h4-11,17,22H,3,12H2,1-2H3
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880n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Competitive reversible inhibition of human recombinant MAO-A expressed in baculovirus infected BT1 insect cells using p-tyramine as substrate assesse...


Eur J Med Chem 69: 762-7 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.010
BindingDB Entry DOI: 10.7270/Q2RB77JM
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM15613
PNG
(4-chloro-N-(2-morpholin-4-ylethyl)benzamide | 4-ch...)
Show SMILES Clc1ccc(cc1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C13H17ClN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)
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1.08E+3n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Competitive reversible inhibition of human recombinant MAO-B expressed in baculovirus infected BT1 insect cells using p-tyramine as substrate assesse...


Eur J Med Chem 69: 762-7 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.010
BindingDB Entry DOI: 10.7270/Q2RB77JM
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50493748
PNG
(CHEMBL2437015)
Show SMILES CCOC(=O)N1N=C(CC1c1ccc(OC)cc1)c1ccccc1O |c:6|
Show InChI InChI=1S/C19H20N2O4/c1-3-25-19(23)21-17(13-8-10-14(24-2)11-9-13)12-16(20-21)15-6-4-5-7-18(15)22/h4-11,17,22H,3,12H2,1-2H3
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5.00E+3n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Competitive reversible inhibition of human recombinant MAO-B expressed in baculovirus infected BT1 insect cells using p-tyramine as substrate assesse...


Eur J Med Chem 69: 762-7 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.010
BindingDB Entry DOI: 10.7270/Q2RB77JM
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50493746
PNG
(CHEMBL2437016)
Show SMILES CCOC(=O)N1N=C(CC1c1ccc(C)cc1)c1ccccc1O |c:6|
Show InChI InChI=1S/C19H20N2O3/c1-3-24-19(23)21-17(14-10-8-13(2)9-11-14)12-16(20-21)15-6-4-5-7-18(15)22/h4-11,17,22H,3,12H2,1-2H3
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6.00E+3n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Competitive reversible inhibition of human recombinant MAO-B expressed in baculovirus infected BT1 insect cells using p-tyramine as substrate assesse...


Eur J Med Chem 69: 762-7 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.010
BindingDB Entry DOI: 10.7270/Q2RB77JM
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM15579
PNG
(CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...)
Show SMILES C[C@H](Cc1ccccc1)N(C)CC#C |r|
Show InChI InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1
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9.06E+3n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Competitive reversible inhibition of human recombinant MAO-A expressed in baculovirus infected BT1 insect cells using p-tyramine as substrate assesse...


Eur J Med Chem 69: 762-7 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.010
BindingDB Entry DOI: 10.7270/Q2RB77JM
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50493743
PNG
(CHEMBL2437018)
Show SMILES CCOC(=O)N1N=C(CC1c1ccccc1)c1ccccc1O |c:6|
Show InChI InChI=1S/C18H18N2O3/c1-2-23-18(22)20-16(13-8-4-3-5-9-13)12-15(19-20)14-10-6-7-11-17(14)21/h3-11,16,21H,2,12H2,1H3
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1.10E+4n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Competitive reversible inhibition of human recombinant MAO-B expressed in baculovirus infected BT1 insect cells using p-tyramine as substrate assesse...


Eur J Med Chem 69: 762-7 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.010
BindingDB Entry DOI: 10.7270/Q2RB77JM
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50493745
PNG
(CHEMBL2437017)
Show SMILES CCOC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1ccccc1O |c:6|
Show InChI InChI=1S/C18H17ClN2O3/c1-2-24-18(23)21-16(12-7-9-13(19)10-8-12)11-15(20-21)14-5-3-4-6-17(14)22/h3-10,16,22H,2,11H2,1H3
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1.56E+4n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Competitive reversible inhibition of human recombinant MAO-B expressed in baculovirus infected BT1 insect cells using p-tyramine as substrate assesse...


Eur J Med Chem 69: 762-7 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.010
BindingDB Entry DOI: 10.7270/Q2RB77JM
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50493747
PNG
(CHEMBL2437021)
Show SMILES Oc1ccccc1C1=NN(C(C1)c1ccc(Cl)cc1)C(=O)Oc1ccccc1 |t:8|
Show InChI InChI=1S/C22H17ClN2O3/c23-16-12-10-15(11-13-16)20-14-19(18-8-4-5-9-21(18)26)24-25(20)22(27)28-17-6-2-1-3-7-17/h1-13,20,26H,14H2
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4.50E+4n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Competitive reversible inhibition of human recombinant MAO-B expressed in baculovirus infected BT1 insect cells using p-tyramine as substrate assesse...


Eur J Med Chem 69: 762-7 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.010
BindingDB Entry DOI: 10.7270/Q2RB77JM
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50493741
PNG
(CHEMBL2437020)
Show SMILES Cc1ccc(cc1)C1CC(=NN1C(=O)Oc1ccccc1)c1ccccc1O |c:10|
Show InChI InChI=1S/C23H20N2O3/c1-16-11-13-17(14-12-16)21-15-20(19-9-5-6-10-22(19)26)24-25(21)23(27)28-18-7-3-2-4-8-18/h2-14,21,26H,15H2,1H3
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5.60E+4n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Competitive reversible inhibition of human recombinant MAO-B expressed in baculovirus infected BT1 insect cells using p-tyramine as substrate assesse...


Eur J Med Chem 69: 762-7 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.010
BindingDB Entry DOI: 10.7270/Q2RB77JM
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50493744
PNG
(CHEMBL2437019)
Show SMILES COc1ccc(cc1)C1CC(=NN1C(=O)Oc1ccccc1)c1ccccc1O |c:11|
Show InChI InChI=1S/C23H20N2O4/c1-28-17-13-11-16(12-14-17)21-15-20(19-9-5-6-10-22(19)26)24-25(21)23(27)29-18-7-3-2-4-8-18/h2-14,21,26H,15H2,1H3
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3.05E+5n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Competitive reversible inhibition of human recombinant MAO-B expressed in baculovirus infected BT1 insect cells using p-tyramine as substrate assesse...


Eur J Med Chem 69: 762-7 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.010
BindingDB Entry DOI: 10.7270/Q2RB77JM
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50493742
PNG
(CHEMBL2437022)
Show SMILES Oc1ccccc1C1=NN(C(C1)c1ccccc1)C(=O)Oc1ccccc1 |t:8|
Show InChI InChI=1S/C22H18N2O3/c25-21-14-8-7-13-18(21)19-15-20(16-9-3-1-4-10-16)24(23-19)22(26)27-17-11-5-2-6-12-17/h1-14,20,25H,15H2
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5.30E+5n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Competitive reversible inhibition of human recombinant MAO-B expressed in baculovirus infected BT1 insect cells using p-tyramine as substrate assesse...


Eur J Med Chem 69: 762-7 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.010
BindingDB Entry DOI: 10.7270/Q2RB77JM
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* indicates data uncertainty>20%