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Compile Data Set for Download or QSAR

Found 735 hits with Last Name = 'sinha' and Initial = 'b'   
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
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50293305
PNG
(4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-N-(2-(...)
Show SMILES [O-][N+](=O)c1ccc(NCCNc2ncc(-c3ncc[nH]3)c(n2)-c2ccc(Cl)cc2Cl)nc1
Show InChI InChI=1S/C20H16Cl2N8O2/c21-12-1-3-14(16(22)9-12)18-15(19-24-6-7-25-19)11-28-20(29-18)26-8-5-23-17-4-2-13(10-27-17)30(31)32/h1-4,6-7,9-11H,5,8H2,(H,23,27)(H,24,25)(H,26,28,29)
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0.0900n/an/an/an/an/an/an/an/a



Sterling Road

Curated by ChEMBL


Assay Description
Inhibition of human GSK3beta


Eur J Med Chem 44: 2361-71 (2009)


Article DOI: 10.1016/j.ejmech.2008.08.012
BindingDB Entry DOI: 10.7270/Q2057FZX
More data for this
Ligand-Target Pair
Cytochrome P450 1B1


(Homo sapiens (Human))
BDBM50108052
PNG
(1-[(E)-2-(3,5-dimethoxyphenyl)vinyl]-2,4-dimethoxy...)
Show SMILES COc1ccc(\C=C\c2cc(OC)cc(OC)c2)c(OC)c1
Show InChI InChI=1S/C18H20O4/c1-19-15-8-7-14(18(12-15)22-4)6-5-13-9-16(20-2)11-17(10-13)21-3/h5-12H,1-4H3/b6-5+
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3n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human CYP1B1 using ethoxyresorufin as substrate preincubated for 3 mins followed by NADPH addition measured after 10 mins by EROD assay


Eur J Med Chem 163: 28-36 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.039
BindingDB Entry DOI: 10.7270/Q2930XFF
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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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
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
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


(Rattus norvegicus (rat))
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



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in rat liver homogenate by spectrophotometry-based Holt method


Bioorg Med Chem Lett 20: 132-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.015
BindingDB Entry DOI: 10.7270/Q2F76CPV
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] 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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30n/an/an/an/an/an/an/an/a



Birla Institute of Technology



Assay Description
The activities of recombinant hMAO-A and hMAO-B were determined using p-tyramine as common substrate and calculated as 0.18 +/- 0.01 nmol/mg/min (n =...


Bioorg Chem 58: 72-80 (2015)


Article DOI: 10.1016/j.bioorg.2014.11.008
BindingDB Entry DOI: 10.7270/Q2PG1QFJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50156287
PNG
(CHEMBL3780199)
Show SMILES COc1cc(ccc1O)C1=NN(C(C1)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 |t:10|
Show InChI InChI=1S/C23H22N2O4S/c1-16-8-11-19(12-9-16)30(27,28)25-21(17-6-4-3-5-7-17)15-20(24-25)18-10-13-22(26)23(14-18)29-2/h3-14,21,26H,15H2,1-2H3
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60n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A using p-tyramine as substrate assessed as H2O2 production preincubated for 15 mins followed by substrate additi...


ACS Med Chem Lett 7: 56-61 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00326
BindingDB Entry DOI: 10.7270/Q2PV6N85
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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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] 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))
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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110n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A using p-tyramine as substrate assessed as H2O2 production preincubated for 15 mins followed by substrate additi...


ACS Med Chem Lett 7: 56-61 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00326
BindingDB Entry DOI: 10.7270/Q2PV6N85
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] 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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160n/an/an/an/an/an/an/an/a



Birla Institute of Technology



Assay Description
The activities of recombinant hMAO-A and hMAO-B were determined using p-tyramine as common substrate and calculated as 0.18 +/- 0.01 nmol/mg/min (n =...


Bioorg Chem 58: 72-80 (2015)


Article DOI: 10.1016/j.bioorg.2014.11.008
BindingDB Entry DOI: 10.7270/Q2PG1QFJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50420209
PNG
(CHEMBL91153)
Show SMILES COc1ccc(cc1OC)-c1cc(=O)c2ccccc2o1
Show InChI InChI=1S/C17H14O4/c1-19-15-8-7-11(9-17(15)20-2)16-10-13(18)12-5-3-4-6-14(12)21-16/h3-10H,1-2H3
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160n/an/an/an/an/an/an/an/a



Birla Institute of Technology



Assay Description
The activities of recombinant hMAO-A and hMAO-B were determined using p-tyramine as common substrate and calculated as 0.18 +/- 0.01 nmol/mg/min (n =...


Bioorg Chem 58: 72-80 (2015)


Article DOI: 10.1016/j.bioorg.2014.11.008
BindingDB Entry DOI: 10.7270/Q2PG1QFJ
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] B


(Homo sapiens (Human))
BDBM50011421
PNG
(2-(4-Nitro-phenyl)-chromen-4-one | CHEMBL64780)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1cc(=O)c2ccccc2o1
Show InChI InChI=1S/C15H9NO4/c17-13-9-15(20-14-4-2-1-3-12(13)14)10-5-7-11(8-6-10)16(18)19/h1-9H
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200n/an/an/an/an/an/an/an/a



Birla Institute of Technology



Assay Description
The activities of recombinant hMAO-A and hMAO-B were determined using p-tyramine as common substrate and calculated as 0.18 +/- 0.01 nmol/mg/min (n =...


Bioorg Chem 58: 72-80 (2015)


Article DOI: 10.1016/j.bioorg.2014.11.008
BindingDB Entry DOI: 10.7270/Q2PG1QFJ
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))
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))
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))
BDBM50156288
PNG
(CHEMBL3780346)
Show SMILES COc1cc(ccc1O)C1=NN(C(C1)c1ccccc1)C(=O)Oc1ccccc1 |t:10|
Show InChI InChI=1S/C23H20N2O4/c1-28-22-14-17(12-13-21(22)26)19-15-20(16-8-4-2-5-9-16)25(24-19)23(27)29-18-10-6-3-7-11-18/h2-14,20,26H,15H2,1H3
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290n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A using p-tyramine as substrate assessed as H2O2 production preincubated for 15 mins followed by substrate additi...


ACS Med Chem Lett 7: 56-61 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00326
BindingDB Entry DOI: 10.7270/Q2PV6N85
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))
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))
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))
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] B


(Homo sapiens (Human))
BDBM50156284
PNG
(CHEMBL3780212)
Show SMILES COc1cc(ccc1O)C1=NNC(C1)c1ccccc1 |t:10|
Show InChI InChI=1S/C16H16N2O2/c1-20-16-9-12(7-8-15(16)19)14-10-13(17-18-14)11-5-3-2-4-6-11/h2-9,13,17,19H,10H2,1H3
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350n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using p-tyramine as substrate assessed as H2O2 production preincubated for 15 mins followed by substrate additi...


ACS Med Chem Lett 7: 56-61 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00326
BindingDB Entry DOI: 10.7270/Q2PV6N85
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


(Rattus norvegicus (rat))
BDBM50305216
PNG
(3,5-bis-(2-hydroxyphenyl)-1N-(4-methyl benzenesulp...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1N=C(CC1c1ccccc1O)c1ccccc1O |c:12|
Show InChI InChI=1S/C22H20N2O4S/c1-15-10-12-16(13-11-15)29(27,28)24-20(18-7-3-5-9-22(18)26)14-19(23-24)17-6-2-4-8-21(17)25/h2-13,20,25-26H,14H2,1H3
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360n/an/an/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in rat liver homogenate by spectrophotometry-based Holt method


Bioorg Med Chem Lett 20: 132-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.015
BindingDB Entry DOI: 10.7270/Q2F76CPV
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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380n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using p-tyramine as substrate assessed as H2O2 production preincubated for 15 mins followed by substrate additi...


ACS Med Chem Lett 7: 56-61 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00326
BindingDB Entry DOI: 10.7270/Q2PV6N85
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM150763
PNG
(2-(Naphthalen-1-yl)-4H-chromen-4-one (3o))
Show SMILES O=c1cc(oc2ccccc12)-c1cccc2ccccc12
Show InChI InChI=1S/C19H12O2/c20-17-12-19(21-18-11-4-3-9-16(17)18)15-10-5-7-13-6-1-2-8-14(13)15/h1-12H
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390n/an/an/an/an/an/an/an/a



Birla Institute of Technology



Assay Description
The activities of recombinant hMAO-A and hMAO-B were determined using p-tyramine as common substrate and calculated as 0.18 +/- 0.01 nmol/mg/min (n =...


Bioorg Chem 58: 72-80 (2015)


Article DOI: 10.1016/j.bioorg.2014.11.008
BindingDB Entry DOI: 10.7270/Q2PG1QFJ
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))
BDBM50156289
PNG
(CHEMBL3780057)
Show SMILES CCOC(=O)N1N=C(CC1c1ccccc1)c1ccc(O)c(OC)c1 |c:6|
Show InChI InChI=1S/C19H20N2O4/c1-3-25-19(23)21-16(13-7-5-4-6-8-13)12-15(20-21)14-9-10-17(22)18(11-14)24-2/h4-11,16,22H,3,12H2,1-2H3
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440n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A using p-tyramine as substrate assessed as H2O2 production preincubated for 15 mins followed by substrate additi...


ACS Med Chem Lett 7: 56-61 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00326
BindingDB Entry DOI: 10.7270/Q2PV6N85
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] B


(Homo sapiens (Human))
BDBM150762
PNG
(2-(4-Bromophenyl)-4H-chromen-4-one (3n))
Show SMILES Brc1ccc(cc1)-c1cc(=O)c2ccccc2o1
Show InChI InChI=1S/C15H9BrO2/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-9H
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520n/an/an/an/an/an/an/an/a



Birla Institute of Technology



Assay Description
The activities of recombinant hMAO-A and hMAO-B were determined using p-tyramine as common substrate and calculated as 0.18 +/- 0.01 nmol/mg/min (n =...


Bioorg Chem 58: 72-80 (2015)


Article DOI: 10.1016/j.bioorg.2014.11.008
BindingDB Entry DOI: 10.7270/Q2PG1QFJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM150758
PNG
(2-(2-Hydroxyphenyl)-4H-chromen-4-one (3d) | US9271...)
Show SMILES Oc1ccccc1-c1cc(=O)c2ccccc2o1
Show InChI InChI=1S/C15H10O3/c16-12-7-3-1-5-10(12)15-9-13(17)11-6-2-4-8-14(11)18-15/h1-9,16H
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520n/an/an/an/an/an/an/an/a



Birla Institute of Technology



Assay Description
The activities of recombinant hMAO-A and hMAO-B were determined using p-tyramine as common substrate and calculated as 0.18 +/- 0.01 nmol/mg/min (n =...


Bioorg Chem 58: 72-80 (2015)


Article DOI: 10.1016/j.bioorg.2014.11.008
BindingDB Entry DOI: 10.7270/Q2PG1QFJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50156286
PNG
(CHEMBL3780858)
Show SMILES COc1cc(ccc1O)C1=NN(C(C1)c1ccccc1)C(=S)Nc1ccccc1 |t:10|
Show InChI InChI=1S/C23H21N3O2S/c1-28-22-14-17(12-13-21(22)27)19-15-20(16-8-4-2-5-9-16)26(25-19)23(29)24-18-10-6-3-7-11-18/h2-14,20,27H,15H2,1H3,(H,24,29)
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550n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A using p-tyramine as substrate assessed as H2O2 production preincubated for 15 mins followed by substrate additi...


ACS Med Chem Lett 7: 56-61 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00326
BindingDB Entry DOI: 10.7270/Q2PV6N85
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50305217
PNG
(3-(2-hydroxyphenyl)-5-(4-hydroxyphenyl)-1N-(4-meth...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1N=C(CC1c1ccc(O)cc1)c1ccccc1O |c:12|
Show InChI InChI=1S/C22H20N2O4S/c1-15-6-12-18(13-7-15)29(27,28)24-21(16-8-10-17(25)11-9-16)14-20(23-24)19-4-2-3-5-22(19)26/h2-13,21,25-26H,14H2,1H3
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600n/an/an/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in rat liver homogenate by spectrophotometry-based Holt method


Bioorg Med Chem Lett 20: 132-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.015
BindingDB Entry DOI: 10.7270/Q2F76CPV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM150757
PNG
(2-(4-Chlorophenyl)-4H-chromen-4-one (3c))
Show SMILES Clc1ccc(cc1)-c1cc(=O)c2ccccc2o1
Show InChI InChI=1S/C15H9ClO2/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-9H
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600n/an/an/an/an/an/an/an/a



Birla Institute of Technology



Assay Description
The activities of recombinant hMAO-A and hMAO-B were determined using p-tyramine as common substrate and calculated as 0.18 +/- 0.01 nmol/mg/min (n =...


Bioorg Chem 58: 72-80 (2015)


Article DOI: 10.1016/j.bioorg.2014.11.008
BindingDB Entry DOI: 10.7270/Q2PG1QFJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50305211
PNG
(3-(2-hydroxyphenyl), 5-(4-hydroxyphenyl)-4, 5-dihy...)
Show SMILES Oc1ccc(cc1)C1CC(N=N1)c1ccccc1O |c:11|
Show InChI InChI=1S/C15H14N2O2/c18-11-7-5-10(6-8-11)13-9-14(17-16-13)12-3-1-2-4-15(12)19/h1-8,13-14,18-19H,9H2
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600n/an/an/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAO-B in rat liver homogenate by spectrophotometry-based Holt method


Bioorg Med Chem Lett 20: 132-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.015
BindingDB Entry DOI: 10.7270/Q2F76CPV
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


(Rattus norvegicus (rat))
BDBM50305215
PNG
(3-(2-hydroxyphenyl)-5-(4-hydroxyphenyl)-1N-(benzen...)
Show SMILES Oc1ccc(cc1)C1CC(=NN1S(=O)(=O)c1ccccc1)c1ccccc1O |c:10|
Show InChI InChI=1S/C21H18N2O4S/c24-16-12-10-15(11-13-16)20-14-19(18-8-4-5-9-21(18)25)22-23(20)28(26,27)17-6-2-1-3-7-17/h1-13,20,24-25H,14H2
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680n/an/an/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in rat liver homogenate by spectrophotometry-based Holt method


Bioorg Med Chem Lett 20: 132-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.015
BindingDB Entry DOI: 10.7270/Q2F76CPV
More data for this
Ligand-Target Pair
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