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Compile Data Set for Download or QSAR

Found 72 hits with Last Name = 'jagrat' and Initial = 'm'   
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))
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
Inhibition of human MAO-A expressed in BTI insect cells using p-tyramine as substrate after 60 mins


Bioorg Med Chem Lett 21: 4296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.057
BindingDB Entry DOI: 10.7270/Q2C829NS
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))
BDBM50347294
PNG
(CHEMBL1796449)
Show SMILES COc1ccc(NC(=S)N2N=C(CC2c2ccc(O)cc2)c2ccccc2)cc1 |c:10|
Show InChI InChI=1S/C23H21N3O2S/c1-28-20-13-9-18(10-14-20)24-23(29)26-22(17-7-11-19(27)12-8-17)15-21(25-26)16-5-3-2-4-6-16/h2-14,22,27H,15H2,1H3,(H,24,29)
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90n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human MAO-A expressed in BTI insect cells using p-tyramine as substrate after 60 mins


Bioorg Med Chem Lett 21: 4296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.057
BindingDB Entry DOI: 10.7270/Q2C829NS
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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91n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human MAO-B expressed in BTI insect cells using p-tyramine as substrate after 60 mins


Bioorg Med Chem Lett 21: 4296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.057
BindingDB Entry DOI: 10.7270/Q2C829NS
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50347290
PNG
(CHEMBL1796445)
Show SMILES COc1cccc(NC(=S)N2N=C(CC2c2ccccc2O)c2ccccc2)c1 |c:11|
Show InChI InChI=1S/C23H21N3O2S/c1-28-18-11-7-10-17(14-18)24-23(29)26-21(19-12-5-6-13-22(19)27)15-20(25-26)16-8-3-2-4-9-16/h2-14,21,27H,15H2,1H3,(H,24,29)
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100n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human MAO-A expressed in BTI insect cells using p-tyramine as substrate after 60 mins


Bioorg Med Chem Lett 21: 4296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.057
BindingDB Entry DOI: 10.7270/Q2C829NS
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50347296
PNG
(CHEMBL1796451)
Show SMILES Cc1cccc(NC(=S)N2N=C(CC2c2ccc(O)cc2)c2ccccc2)c1 |c:10|
Show InChI InChI=1S/C23H21N3OS/c1-16-6-5-9-19(14-16)24-23(28)26-22(18-10-12-20(27)13-11-18)15-21(25-26)17-7-3-2-4-8-17/h2-14,22,27H,15H2,1H3,(H,24,28)
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130n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human MAO-A expressed in BTI insect cells using p-tyramine as substrate after 60 mins


Bioorg Med Chem Lett 21: 4296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.057
BindingDB Entry DOI: 10.7270/Q2C829NS
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50347305
PNG
(CHEMBL1796461)
Show SMILES NC(=N)N1N=C(CC1c1ccc(Cl)cc1)c1ccccc1 |c:4|
Show InChI InChI=1S/C16H15ClN4/c17-13-8-6-12(7-9-13)15-10-14(20-21(15)16(18)19)11-4-2-1-3-5-11/h1-9,15H,10H2,(H3,18,19)
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150n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human MAO-A expressed in BTI insect cells using p-tyramine as substrate after 60 mins


Bioorg Med Chem Lett 21: 4296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.057
BindingDB Entry DOI: 10.7270/Q2C829NS
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50347288
PNG
(CHEMBL1796443)
Show SMILES COc1ccc(NC(=S)N2N=C(CC2c2ccccc2O)c2ccccc2)cc1 |c:10|
Show InChI InChI=1S/C23H21N3O2S/c1-28-18-13-11-17(12-14-18)24-23(29)26-21(19-9-5-6-10-22(19)27)15-20(25-26)16-7-3-2-4-8-16/h2-14,21,27H,15H2,1H3,(H,24,29)
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170n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human MAO-A expressed in BTI insect cells using p-tyramine as substrate after 60 mins


Bioorg Med Chem Lett 21: 4296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.057
BindingDB Entry DOI: 10.7270/Q2C829NS
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50347293
PNG
(CHEMBL1796448)
Show SMILES Cc1ccccc1NC(=S)N1N=C(CC1c1ccccc1O)c1ccccc1 |c:12|
Show InChI InChI=1S/C23H21N3OS/c1-16-9-5-7-13-19(16)24-23(28)26-21(18-12-6-8-14-22(18)27)15-20(25-26)17-10-3-2-4-11-17/h2-14,21,27H,15H2,1H3,(H,24,28)
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250n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human MAO-A expressed in BTI insect cells using p-tyramine as substrate after 60 mins


Bioorg Med Chem Lett 21: 4296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.057
BindingDB Entry DOI: 10.7270/Q2C829NS
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))
BDBM50347289
PNG
(CHEMBL1796444)
Show SMILES Cc1ccc(NC(=S)N2N=C(CC2c2ccccc2O)c2ccccc2)cc1 |c:9|
Show InChI InChI=1S/C23H21N3OS/c1-16-11-13-18(14-12-16)24-23(28)26-21(19-9-5-6-10-22(19)27)15-20(25-26)17-7-3-2-4-8-17/h2-14,21,27H,15H2,1H3,(H,24,28)
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290n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human MAO-A expressed in BTI insect cells using p-tyramine as substrate after 60 mins


Bioorg Med Chem Lett 21: 4296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.057
BindingDB Entry DOI: 10.7270/Q2C829NS
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50347291
PNG
(CHEMBL1796446)
Show SMILES Cc1cccc(NC(=S)N2N=C(CC2c2ccccc2O)c2ccccc2)c1 |c:10|
Show InChI InChI=1S/C23H21N3OS/c1-16-8-7-11-18(14-16)24-23(28)26-21(19-12-5-6-13-22(19)27)15-20(25-26)17-9-3-2-4-10-17/h2-14,21,27H,15H2,1H3,(H,24,28)
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300n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human MAO-A expressed in BTI insect cells using p-tyramine as substrate after 60 mins


Bioorg Med Chem Lett 21: 4296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.057
BindingDB Entry DOI: 10.7270/Q2C829NS
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50347302
PNG
(CHEMBL1796457)
Show SMILES NC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1ccccc1 |c:4|
Show InChI InChI=1S/C16H14ClN3O/c17-13-8-6-12(7-9-13)15-10-14(19-20(15)16(18)21)11-4-2-1-3-5-11/h1-9,15H,10H2,(H2,18,21)
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300n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human MAO-A expressed in BTI insect cells using p-tyramine as substrate after 60 mins


Bioorg Med Chem Lett 21: 4296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.057
BindingDB Entry DOI: 10.7270/Q2C829NS
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50347298
PNG
(CHEMBL1796453)
Show SMILES Cc1ccccc1NC(=S)N1N=C(CC1c1ccc(O)cc1)c1ccccc1 |c:12|
Show InChI InChI=1S/C23H21N3OS/c1-16-7-5-6-10-20(16)24-23(28)26-22(18-11-13-19(27)14-12-18)15-21(25-26)17-8-3-2-4-9-17/h2-14,22,27H,15H2,1H3,(H,24,28)
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310n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human MAO-A expressed in BTI insect cells using p-tyramine as substrate after 60 mins


Bioorg Med Chem Lett 21: 4296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.057
BindingDB Entry DOI: 10.7270/Q2C829NS
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50347292
PNG
(CHEMBL1796447)
Show SMILES COc1ccccc1NC(=S)N1N=C(CC1c1ccccc1O)c1ccccc1 |c:13|
Show InChI InChI=1S/C23H21N3O2S/c1-28-22-14-8-6-12-18(22)24-23(29)26-20(17-11-5-7-13-21(17)27)15-19(25-26)16-9-3-2-4-10-16/h2-14,20,27H,15H2,1H3,(H,24,29)
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310n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human MAO-A expressed in BTI insect cells using p-tyramine as substrate after 60 mins


Bioorg Med Chem Lett 21: 4296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.057
BindingDB Entry DOI: 10.7270/Q2C829NS
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))
BDBM50249871
PNG
(3-phenyl-5-p-tolyl-4,5-dihydro-1H-pyrazole-1-carbo...)
Show SMILES Cc1ccc(cc1)C1CC(=NN1C(N)=S)c1ccccc1 |c:10|
Show InChI InChI=1S/C17H17N3S/c1-12-7-9-14(10-8-12)16-11-15(19-20(16)17(18)21)13-5-3-2-4-6-13/h2-10,16H,11H2,1H3,(H2,18,21)
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333n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human MAO-A expressed in BTI insect cells using p-tyramine as substrate after 60 mins


Bioorg Med Chem Lett 21: 4296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.057
BindingDB Entry DOI: 10.7270/Q2C829NS
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50347295
PNG
(CHEMBL1795357)
Show SMILES COc1cccc(NC(=S)N2N=C(CC2c2ccc(O)cc2)c2ccccc2)c1 |c:11|
Show InChI InChI=1S/C23H21N3O2S/c1-28-20-9-5-8-18(14-20)24-23(29)26-22(17-10-12-19(27)13-11-17)15-21(25-26)16-6-3-2-4-7-16/h2-14,22,27H,15H2,1H3,(H,24,29)
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350n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human MAO-A expressed in BTI insect cells using p-tyramine as substrate after 60 mins


Bioorg Med Chem Lett 21: 4296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.057
BindingDB Entry DOI: 10.7270/Q2C829NS
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50347306
PNG
(CHEMBL1796450)
Show SMILES Cc1ccc(NC(=S)N2N=C(CC2c2ccc(O)cc2)c2ccccc2)cc1 |c:9|
Show InChI InChI=1S/C23H21N3OS/c1-16-7-11-19(12-8-16)24-23(28)26-22(18-9-13-20(27)14-10-18)15-21(25-26)17-5-3-2-4-6-17/h2-14,22,27H,15H2,1H3,(H,24,28)
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360n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human MAO-A expressed in BTI insect cells using p-tyramine as substrate after 60 mins


Bioorg Med Chem Lett 21: 4296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.057
BindingDB Entry DOI: 10.7270/Q2C829NS
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50347304
PNG
(CHEMBL1796459)
Show SMILES Cc1ccc(cc1)C1CC(=NN1C(N)=N)c1ccccc1 |c:10|
Show InChI InChI=1S/C17H18N4/c1-12-7-9-14(10-8-12)16-11-15(20-21(16)17(18)19)13-5-3-2-4-6-13/h2-10,16H,11H2,1H3,(H3,18,19)
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400n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human MAO-A expressed in BTI insect cells using p-tyramine as substrate after 60 mins


Bioorg Med Chem Lett 21: 4296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.057
BindingDB Entry DOI: 10.7270/Q2C829NS
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50347303
PNG
(CHEMBL1796458)
Show SMILES NC(=S)N1N=C(CC1c1ccncc1)c1ccccc1 |c:4|
Show InChI InChI=1S/C15H14N4S/c16-15(20)19-14(12-6-8-17-9-7-12)10-13(18-19)11-4-2-1-3-5-11/h1-9,14H,10H2,(H2,16,20)
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456n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human MAO-A expressed in BTI insect cells using p-tyramine as substrate after 60 mins


Bioorg Med Chem Lett 21: 4296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.057
BindingDB Entry DOI: 10.7270/Q2C829NS
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50347299
PNG
(CHEMBL1796454)
Show SMILES Cc1ccc(cc1)C1CC(=NN1C(N)=O)c1ccccc1 |c:10|
Show InChI InChI=1S/C17H17N3O/c1-12-7-9-14(10-8-12)16-11-15(19-20(16)17(18)21)13-5-3-2-4-6-13/h2-10,16H,11H2,1H3,(H2,18,21)
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490n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human MAO-A expressed in BTI insect cells using p-tyramine as substrate after 60 mins


Bioorg Med Chem Lett 21: 4296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.057
BindingDB Entry DOI: 10.7270/Q2C829NS
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))
BDBM50347307
PNG
(CHEMBL1796460)
Show SMILES NC(=N)N1N=C(CC1c1ccncc1)c1ccccc1 |c:4|
Show InChI InChI=1S/C15H15N5/c16-15(17)20-14(12-6-8-18-9-7-12)10-13(19-20)11-4-2-1-3-5-11/h1-9,14H,10H2,(H3,16,17)
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670n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human MAO-A expressed in BTI insect cells using p-tyramine as substrate after 60 mins


Bioorg Med Chem Lett 21: 4296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.057
BindingDB Entry DOI: 10.7270/Q2C829NS
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] B


(Homo sapiens (Human))
BDBM50312369
PNG
(5-(4-chlorophenyl)-3-phenyl-4,5-dihydro-1H-pyrazol...)
Show SMILES NC(=S)N1N=C(CC1c1ccc(Cl)cc1)c1ccccc1 |c:4|
Show InChI InChI=1S/C16H14ClN3S/c17-13-8-6-12(7-9-13)15-10-14(19-20(15)16(18)21)11-4-2-1-3-5-11/h1-9,15H,10H2,(H2,18,21)
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805n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human MAO-B expressed in BTI insect cells using p-tyramine as substrate after 60 mins


Bioorg Med Chem Lett 21: 4296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.057
BindingDB Entry DOI: 10.7270/Q2C829NS
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50312369
PNG
(5-(4-chlorophenyl)-3-phenyl-4,5-dihydro-1H-pyrazol...)
Show SMILES NC(=S)N1N=C(CC1c1ccc(Cl)cc1)c1ccccc1 |c:4|
Show InChI InChI=1S/C16H14ClN3S/c17-13-8-6-12(7-9-13)15-10-14(19-20(15)16(18)21)11-4-2-1-3-5-11/h1-9,15H,10H2,(H2,18,21)
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805n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human MAO-A expressed in BTI insect cells using p-tyramine as substrate after 60 mins


Bioorg Med Chem Lett 21: 4296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.057
BindingDB Entry DOI: 10.7270/Q2C829NS
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] A


(Homo sapiens (Human))
BDBM50347301
PNG
(CHEMBL1796456)
Show SMILES COc1ccc(cc1)C1CC(=NN1C(N)=O)c1ccccc1 |c:11|
Show InChI InChI=1S/C17H17N3O2/c1-22-14-9-7-13(8-10-14)16-11-15(19-20(16)17(18)21)12-5-3-2-4-6-12/h2-10,16H,11H2,1H3,(H2,18,21)
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980n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human MAO-A expressed in BTI insect cells using p-tyramine as substrate after 60 mins


Bioorg Med Chem Lett 21: 4296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.057
BindingDB Entry DOI: 10.7270/Q2C829NS
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
Inhibition of human MAO-B expressed in BTI insect cells using p-tyramine as substrate after 60 mins


Bioorg Med Chem Lett 21: 4296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.057
BindingDB Entry DOI: 10.7270/Q2C829NS
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))
BDBM50347302
PNG
(CHEMBL1796457)
Show SMILES NC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1ccccc1 |c:4|
Show InChI InChI=1S/C16H14ClN3O/c17-13-8-6-12(7-9-13)15-10-14(19-20(15)16(18)21)11-4-2-1-3-5-11/h1-9,15H,10H2,(H2,18,21)
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1.66E+3n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human MAO-B expressed in BTI insect cells using p-tyramine as substrate after 60 mins


Bioorg Med Chem Lett 21: 4296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.057
BindingDB Entry DOI: 10.7270/Q2C829NS
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50249871
PNG
(3-phenyl-5-p-tolyl-4,5-dihydro-1H-pyrazole-1-carbo...)
Show SMILES Cc1ccc(cc1)C1CC(=NN1C(N)=S)c1ccccc1 |c:10|
Show InChI InChI=1S/C17H17N3S/c1-12-7-9-14(10-8-12)16-11-15(19-20(16)17(18)21)13-5-3-2-4-6-13/h2-10,16H,11H2,1H3,(H2,18,21)
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1.80E+3n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human MAO-B expressed in BTI insect cells using p-tyramine as substrate after 60 mins


Bioorg Med Chem Lett 21: 4296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.057
BindingDB Entry DOI: 10.7270/Q2C829NS
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50347301
PNG
(CHEMBL1796456)
Show SMILES COc1ccc(cc1)C1CC(=NN1C(N)=O)c1ccccc1 |c:11|
Show InChI InChI=1S/C17H17N3O2/c1-22-14-9-7-13(8-10-14)16-11-15(19-20(16)17(18)21)12-5-3-2-4-6-12/h2-10,16H,11H2,1H3,(H2,18,21)
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1.88E+3n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human MAO-B expressed in BTI insect cells using p-tyramine as substrate after 60 mins


Bioorg Med Chem Lett 21: 4296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.057
BindingDB Entry DOI: 10.7270/Q2C829NS
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50347297
PNG
(CHEMBL1796452)
Show SMILES COc1ccccc1NC(=S)N1N=C(CC1c1ccc(O)cc1)c1ccccc1 |c:13|
Show InChI InChI=1S/C23H21N3O2S/c1-28-22-10-6-5-9-19(22)24-23(29)26-21(17-11-13-18(27)14-12-17)15-20(25-26)16-7-3-2-4-8-16/h2-14,21,27H,15H2,1H3,(H,24,29)
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2.15E+3n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human MAO-A expressed in BTI insect cells using p-tyramine as substrate after 60 mins


Bioorg Med Chem Lett 21: 4296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.057
BindingDB Entry DOI: 10.7270/Q2C829NS
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50347299
PNG
(CHEMBL1796454)
Show SMILES Cc1ccc(cc1)C1CC(=NN1C(N)=O)c1ccccc1 |c:10|
Show InChI InChI=1S/C17H17N3O/c1-12-7-9-14(10-8-12)16-11-15(19-20(16)17(18)21)13-5-3-2-4-6-13/h2-10,16H,11H2,1H3,(H2,18,21)
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3.20E+3n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human MAO-B expressed in BTI insect cells using p-tyramine as substrate after 60 mins


Bioorg Med Chem Lett 21: 4296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.057
BindingDB Entry DOI: 10.7270/Q2C829NS
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50347303
PNG
(CHEMBL1796458)
Show SMILES NC(=S)N1N=C(CC1c1ccncc1)c1ccccc1 |c:4|
Show InChI InChI=1S/C15H14N4S/c16-15(20)19-14(12-6-8-17-9-7-12)10-13(18-19)11-4-2-1-3-5-11/h1-9,14H,10H2,(H2,16,20)
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4.00E+3n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human MAO-B expressed in BTI insect cells using p-tyramine as substrate after 60 mins


Bioorg Med Chem Lett 21: 4296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.057
BindingDB Entry DOI: 10.7270/Q2C829NS
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50347304
PNG
(CHEMBL1796459)
Show SMILES Cc1ccc(cc1)C1CC(=NN1C(N)=N)c1ccccc1 |c:10|
Show InChI InChI=1S/C17H18N4/c1-12-7-9-14(10-8-12)16-11-15(20-21(16)17(18)19)13-5-3-2-4-6-13/h2-10,16H,11H2,1H3,(H3,18,19)
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4.11E+3n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human MAO-B expressed in BTI insect cells using p-tyramine as substrate after 60 mins


Bioorg Med Chem Lett 21: 4296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.057
BindingDB Entry DOI: 10.7270/Q2C829NS
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50347305
PNG
(CHEMBL1796461)
Show SMILES NC(=N)N1N=C(CC1c1ccc(Cl)cc1)c1ccccc1 |c:4|
Show InChI InChI=1S/C16H15ClN4/c17-13-8-6-12(7-9-13)15-10-14(20-21(15)16(18)19)11-4-2-1-3-5-11/h1-9,15H,10H2,(H3,18,19)
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4.22E+3n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human MAO-B expressed in BTI insect cells using p-tyramine as substrate after 60 mins


Bioorg Med Chem Lett 21: 4296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.057
BindingDB Entry DOI: 10.7270/Q2C829NS
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50347300
PNG
(CHEMBL1796455)
Show SMILES NC(=O)N1N=C(CC1c1ccncc1)c1ccccc1 |c:4|
Show InChI InChI=1S/C15H14N4O/c16-15(20)19-14(12-6-8-17-9-7-12)10-13(18-19)11-4-2-1-3-5-11/h1-9,14H,10H2,(H2,16,20)
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4.79E+3n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human MAO-B expressed in BTI insect cells using p-tyramine as substrate after 60 mins


Bioorg Med Chem Lett 21: 4296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.057
BindingDB Entry DOI: 10.7270/Q2C829NS
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50347307
PNG
(CHEMBL1796460)
Show SMILES NC(=N)N1N=C(CC1c1ccncc1)c1ccccc1 |c:4|
Show InChI InChI=1S/C15H15N5/c16-15(17)20-14(12-6-8-18-9-7-12)10-13(19-20)11-4-2-1-3-5-11/h1-9,14H,10H2,(H3,16,17)
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4.80E+3n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human MAO-B expressed in BTI insect cells using p-tyramine as substrate after 60 mins


Bioorg Med Chem Lett 21: 4296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.057
BindingDB Entry DOI: 10.7270/Q2C829NS
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))
BDBM50347300
PNG
(CHEMBL1796455)
Show SMILES NC(=O)N1N=C(CC1c1ccncc1)c1ccccc1 |c:4|
Show InChI InChI=1S/C15H14N4O/c16-15(20)19-14(12-6-8-17-9-7-12)10-13(18-19)11-4-2-1-3-5-11/h1-9,14H,10H2,(H2,16,20)
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7.00E+3n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human MAO-A expressed in BTI insect cells using p-tyramine as substrate after 60 mins


Bioorg Med Chem Lett 21: 4296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.057
BindingDB Entry DOI: 10.7270/Q2C829NS
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
Inhibition of human MAO-A expressed in BTI insect cells using p-tyramine as substrate after 60 mins


Bioorg Med Chem Lett 21: 4296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.057
BindingDB Entry DOI: 10.7270/Q2C829NS
More data for this
Ligand-Target Pair
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