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Compile Data Set for Download or QSAR

Found 150 hits from A* STAR (Agency of Science, Technology and Research)   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50075951
PNG
(CHEMBL3415810)
Show SMILES CN(CC#C)CC(=C)c1ccccc1
Show InChI InChI=1S/C13H15N/c1-4-10-14(3)11-12(2)13-8-6-5-7-9-13/h1,5-9H,2,10-11H2,3H3
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60n/an/an/an/an/an/an/an/a



A* STAR (Agency of Science, Technology and Research)

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant MAO-B measured after longer preincubation


J Med Chem 58: 1400-19 (2015)


Article DOI: 10.1021/jm501722s
BindingDB Entry DOI: 10.7270/Q2V989R3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50075952
PNG
(CHEMBL3415804)
Show SMILES C[NH+](CC#C)CC(=C)c1ccoc1
Show InChI InChI=1S/C11H13NO.C2H2O4/c1-4-6-12(3)8-10(2)11-5-7-13-9-11;3-1(4)2(5)6/h1,5,7,9H,2,6,8H2,3H3;(H,3,4)(H,5,6)
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n/an/a 0.720n/an/an/an/an/an/a



A* STAR (Agency of Science, Technology and Research)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in Sf9 cells using 5-hydroxytryptamine substrate assessed as hydrogen peroxide production after 1 hr ...


J Med Chem 58: 1400-19 (2015)


Article DOI: 10.1021/jm501722s
BindingDB Entry DOI: 10.7270/Q2V989R3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50075959
PNG
(CHEMBL3415795)
Show SMILES CN(CC#C)CC(=C)c1ccc(Br)cc1
Show InChI InChI=1S/C13H14BrN/c1-4-9-15(3)10-11(2)12-5-7-13(14)8-6-12/h1,5-8H,2,9-10H2,3H3
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n/an/a 0.850n/an/an/an/an/an/a



A* STAR (Agency of Science, Technology and Research)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in Sf9 cells using 5-hydroxytryptamine substrate assessed as hydrogen peroxide production after 1 hr ...


J Med Chem 58: 1400-19 (2015)


Article DOI: 10.1021/jm501722s
BindingDB Entry DOI: 10.7270/Q2V989R3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50075947
PNG
(CHEMBL3415817)
Show SMILES C[NH+](CC#C)CC(=C)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C13H13Cl2N.C2H2O4/c1-4-7-16(3)9-10(2)11-5-6-12(14)13(15)8-11;3-1(4)2(5)6/h1,5-6,8H,2,7,9H2,3H3;(H,3,4)(H,5,6)
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n/an/a 1n/an/an/an/an/an/a



A* STAR (Agency of Science, Technology and Research)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in Sf9 cells using 5-hydroxytryptamine substrate assessed as hydrogen peroxide production after 1 hr ...


J Med Chem 58: 1400-19 (2015)


Article DOI: 10.1021/jm501722s
BindingDB Entry DOI: 10.7270/Q2V989R3
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM10989
PNG
((1R)-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-ami...)
Show SMILES C#CCN[C@@H]1CCc2ccccc12
Show InChI InChI=1S/C12H13N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-6,12-13H,7-9H2/t12-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



A* STAR (Agency of Science, Technology and Research)

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-A in nuclei-free homogenates using [14C]hydroxytryptamine substrate after 20 mins by liquid scintillation counting


J Med Chem 58: 1400-19 (2015)


Article DOI: 10.1021/jm501722s
BindingDB Entry DOI: 10.7270/Q2V989R3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50075974
PNG
(CHEMBL3415783)
Show SMILES C[NH+](CC#C)CC(=C)c1cccc(COc2ccc(F)cc2)c1
Show InChI InChI=1S/C20H20FNO.C2H2O4/c1-4-12-22(3)14-16(2)18-7-5-6-17(13-18)15-23-20-10-8-19(21)9-11-20;3-1(4)2(5)6/h1,5-11,13H,2,12,14-15H2,3H3;(H,3,4)(H,5,6)
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n/an/a 1.40n/an/an/an/an/an/a



A* STAR (Agency of Science, Technology and Research)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in Sf9 cells using 5-hydroxytryptamine substrate assessed as hydrogen peroxide production after 1 hr ...


J Med Chem 58: 1400-19 (2015)


Article DOI: 10.1021/jm501722s
BindingDB Entry DOI: 10.7270/Q2V989R3
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50075965
PNG
(CHEMBL3415613)
Show SMILES C[NH+](CC#C)CC(=C)c1cccc(COc2ccccc2)c1
Show InChI InChI=1S/C20H21NO.C2H2O4/c1-4-13-21(3)15-17(2)19-10-8-9-18(14-19)16-22-20-11-6-5-7-12-20;3-1(4)2(5)6/h1,5-12,14H,2,13,15-16H2,3H3;(H,3,4)(H,5,6)
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n/an/a 1.5n/an/an/an/an/an/a



A* STAR (Agency of Science, Technology and Research)

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-A in nuclei-free homogenates using [14C]hydroxytryptamine substrate after 20 mins by liquid scintillation counting


J Med Chem 58: 1400-19 (2015)


Article DOI: 10.1021/jm501722s
BindingDB Entry DOI: 10.7270/Q2V989R3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50075996
PNG
(CHEMBL3415611)
Show SMILES Fc1cccc(COc2cccc(c2)C(=C)C[NH2+]CC#C)c1
Show InChI InChI=1S/C19H18FNO/c1-3-10-21-13-15(2)17-7-5-9-19(12-17)22-14-16-6-4-8-18(20)11-16/h1,4-9,11-12,21H,2,10,13-14H2/p+1
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n/an/a 1.90n/an/an/an/an/an/a



A* STAR (Agency of Science, Technology and Research)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in Sf9 cells using 5-hydroxytryptamine substrate assessed as hydrogen peroxide production after 1 hr ...


J Med Chem 58: 1400-19 (2015)


Article DOI: 10.1021/jm501722s
BindingDB Entry DOI: 10.7270/Q2V989R3
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50075969
PNG
(CHEMBL3415617)
Show SMILES C[NH+](CC#C)CC(=C)c1cccc(OCc2cccc(F)c2)c1
Show InChI InChI=1S/C20H20FNO.C2H2O4/c1-4-11-22(3)14-16(2)18-8-6-10-20(13-18)23-15-17-7-5-9-19(21)12-17;3-1(4)2(5)6/h1,5-10,12-13H,2,11,14-15H2,3H3;(H,3,4)(H,5,6)
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n/an/a 2n/an/an/an/an/an/a



A* STAR (Agency of Science, Technology and Research)

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-A in nuclei-free homogenates using [14C]hydroxytryptamine substrate after 20 mins by liquid scintillation counting


J Med Chem 58: 1400-19 (2015)


Article DOI: 10.1021/jm501722s
BindingDB Entry DOI: 10.7270/Q2V989R3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50075946
PNG
(CHEMBL3415816)
Show SMILES C[NH+](CC#C)CC(=C)c1ccc(F)c(F)c1
Show InChI InChI=1S/C13H13F2N.C2H2O4/c1-4-7-16(3)9-10(2)11-5-6-12(14)13(15)8-11;3-1(4)2(5)6/h1,5-6,8H,2,7,9H2,3H3;(H,3,4)(H,5,6)
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n/an/a 2.30n/an/an/an/an/an/a



A* STAR (Agency of Science, Technology and Research)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in Sf9 cells using 5-hydroxytryptamine substrate assessed as hydrogen peroxide production after 1 hr ...


J Med Chem 58: 1400-19 (2015)


Article DOI: 10.1021/jm501722s
BindingDB Entry DOI: 10.7270/Q2V989R3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50075953
PNG
(CHEMBL3415805)
Show SMILES CN(CC#C)CC(=C)c1cccs1
Show InChI InChI=1S/C11H13NS/c1-4-7-12(3)9-10(2)11-6-5-8-13-11/h1,5-6,8H,2,7,9H2,3H3
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n/an/a 3.40n/an/an/an/an/an/a



A* STAR (Agency of Science, Technology and Research)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in Sf9 cells using 5-hydroxytryptamine substrate assessed as hydrogen peroxide production after 1 hr ...


J Med Chem 58: 1400-19 (2015)


Article DOI: 10.1021/jm501722s
BindingDB Entry DOI: 10.7270/Q2V989R3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50075961
PNG
(CHEMBL3415798)
Show SMILES CN(CC#C)CC(=C)c1ccc(F)cc1
Show InChI InChI=1S/C13H14FN/c1-4-9-15(3)10-11(2)12-5-7-13(14)8-6-12/h1,5-8H,2,9-10H2,3H3
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n/an/a 3.70n/an/an/an/an/an/a



A* STAR (Agency of Science, Technology and Research)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in Sf9 cells using 5-hydroxytryptamine substrate assessed as hydrogen peroxide production after 1 hr ...


J Med Chem 58: 1400-19 (2015)


Article DOI: 10.1021/jm501722s
BindingDB Entry DOI: 10.7270/Q2V989R3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50075958
PNG
(CHEMBL3415793)
Show SMILES C[NH+](CC#C)CC(=C)c1ccc(Cl)cc1
Show InChI InChI=1S/C13H14ClN.C2H2O4/c1-4-9-15(3)10-11(2)12-5-7-13(14)8-6-12;3-1(4)2(5)6/h1,5-8H,2,9-10H2,3H3;(H,3,4)(H,5,6)
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n/an/a 3.90n/an/an/an/an/an/a



A* STAR (Agency of Science, Technology and Research)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in Sf9 cells using 5-hydroxytryptamine substrate assessed as hydrogen peroxide production after 1 hr ...


J Med Chem 58: 1400-19 (2015)


Article DOI: 10.1021/jm501722s
BindingDB Entry DOI: 10.7270/Q2V989R3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50075949
PNG
(CHEMBL3415819)
Show SMILES C[NH+](CC#C)CC(=C)c1ccc(Cl)c(C)c1
Show InChI InChI=1S/C14H16ClN.C2H2O4/c1-5-8-16(4)10-12(3)13-6-7-14(15)11(2)9-13;3-1(4)2(5)6/h1,6-7,9H,3,8,10H2,2,4H3;(H,3,4)(H,5,6)
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n/an/a 4.10n/an/an/an/an/an/a



A* STAR (Agency of Science, Technology and Research)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in Sf9 cells using 5-hydroxytryptamine substrate assessed as hydrogen peroxide production after 1 hr ...


J Med Chem 58: 1400-19 (2015)


Article DOI: 10.1021/jm501722s
BindingDB Entry DOI: 10.7270/Q2V989R3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50075974
PNG
(CHEMBL3415783)
Show SMILES C[NH+](CC#C)CC(=C)c1cccc(COc2ccc(F)cc2)c1
Show InChI InChI=1S/C20H20FNO.C2H2O4/c1-4-12-22(3)14-16(2)18-7-5-6-17(13-18)15-23-20-10-8-19(21)9-11-20;3-1(4)2(5)6/h1,5-11,13H,2,12,14-15H2,3H3;(H,3,4)(H,5,6)
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n/an/a 5.5n/an/an/an/an/an/a



A* STAR (Agency of Science, Technology and Research)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in Sf9 cells using 5-phenylacetaldehyde substrate assessed as hydrogen peroxide production after 1 hr...


J Med Chem 58: 1400-19 (2015)


Article DOI: 10.1021/jm501722s
BindingDB Entry DOI: 10.7270/Q2V989R3
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50075994
PNG
(CHEMBL3415785)
Show SMILES COc1ccc(OCc2cccc(c2)C(=C)C[NH+](C)CC#C)cc1
Show InChI InChI=1S/C21H23NO2.C2H2O4/c1-5-13-22(3)15-17(2)19-8-6-7-18(14-19)16-24-21-11-9-20(23-4)10-12-21;3-1(4)2(5)6/h1,6-12,14H,2,13,15-16H2,3-4H3;(H,3,4)(H,5,6)
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n/an/a 6n/an/an/an/an/an/a



A* STAR (Agency of Science, Technology and Research)

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-A in nuclei-free homogenates using [14C]hydroxytryptamine substrate after 20 mins by liquid scintillation counting


J Med Chem 58: 1400-19 (2015)


Article DOI: 10.1021/jm501722s
BindingDB Entry DOI: 10.7270/Q2V989R3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50075964
PNG
(CHEMBL3415802)
Show SMILES C[NH+](CC#C)CC(=C)c1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C20H21NO.C2H2O4/c1-4-13-21(3)15-17(2)19-11-8-12-20(14-19)22-16-18-9-6-5-7-10-18;3-1(4)2(5)6/h1,5-12,14H,2,13,15-16H2,3H3;(H,3,4)(H,5,6)
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n/an/a 6n/an/an/an/an/an/a



A* STAR (Agency of Science, Technology and Research)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in Sf9 cells using 5-hydroxytryptamine substrate assessed as hydrogen peroxide production after 1 hr ...


J Med Chem 58: 1400-19 (2015)


Article DOI: 10.1021/jm501722s
BindingDB Entry DOI: 10.7270/Q2V989R3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50075950
PNG
(CHEMBL3415820)
Show SMILES C[NH+](CC#C)CC(=C)c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C13H13ClFN.C2H2O4/c1-4-7-16(3)9-10(2)11-5-6-13(15)12(14)8-11;3-1(4)2(5)6/h1,5-6,8H,2,7,9H2,3H3;(H,3,4)(H,5,6)
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n/an/a 6.30n/an/an/an/an/an/a



A* STAR (Agency of Science, Technology and Research)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in Sf9 cells using 5-hydroxytryptamine substrate assessed as hydrogen peroxide production after 1 hr ...


J Med Chem 58: 1400-19 (2015)


Article DOI: 10.1021/jm501722s
BindingDB Entry DOI: 10.7270/Q2V989R3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50075995
PNG
(CHEMBL3415786)
Show SMILES C=C(C[NH2+]CC#C)c1cccc(COc2ccccc2)c1
Show InChI InChI=1S/C19H19NO/c1-3-12-20-14-16(2)18-9-7-8-17(13-18)15-21-19-10-5-4-6-11-19/h1,4-11,13,20H,2,12,14-15H2/p+1
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n/an/a 6.30n/an/an/an/an/an/a



A* STAR (Agency of Science, Technology and Research)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in Sf9 cells using 5-hydroxytryptamine substrate assessed as hydrogen peroxide production after 1 hr ...


J Med Chem 58: 1400-19 (2015)


Article DOI: 10.1021/jm501722s
BindingDB Entry DOI: 10.7270/Q2V989R3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50075971
PNG
(CHEMBL3415780)
Show SMILES COc1cccc(COc2cccc(c2)C(=C)C[NH+](C)CC#C)c1
Show InChI InChI=1S/C21H23NO2.C2H2O4/c1-5-12-22(3)15-17(2)19-9-7-11-21(14-19)24-16-18-8-6-10-20(13-18)23-4;3-1(4)2(5)6/h1,6-11,13-14H,2,12,15-16H2,3-4H3;(H,3,4)(H,5,6)
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n/an/a 6.60n/an/an/an/an/an/a



A* STAR (Agency of Science, Technology and Research)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in Sf9 cells using 5-hydroxytryptamine substrate assessed as hydrogen peroxide production after 1 hr ...


J Med Chem 58: 1400-19 (2015)


Article DOI: 10.1021/jm501722s
BindingDB Entry DOI: 10.7270/Q2V989R3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50075967
PNG
(CHEMBL3415615)
Show SMILES C[NH+](CC#C)CC(=C)c1cccc(CNc2ccccc2)c1
Show InChI InChI=1S/C20H22N2.C2H2O4/c1-4-13-22(3)16-17(2)19-10-8-9-18(14-19)15-21-20-11-6-5-7-12-20;3-1(4)2(5)6/h1,5-12,14,21H,2,13,15-16H2,3H3;(H,3,4)(H,5,6)
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n/an/a 7.40n/an/an/an/an/an/a



A* STAR (Agency of Science, Technology and Research)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in Sf9 cells using 5-hydroxytryptamine substrate assessed as hydrogen peroxide production after 1 hr ...


J Med Chem 58: 1400-19 (2015)


Article DOI: 10.1021/jm501722s
BindingDB Entry DOI: 10.7270/Q2V989R3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50075960
PNG
(CHEMBL3415797)
Show SMILES C[NH+](CC#C)CC(=C)c1cccc(F)c1
Show InChI InChI=1S/C13H14FN.C2H2O4/c1-4-8-15(3)10-11(2)12-6-5-7-13(14)9-12;3-1(4)2(5)6/h1,5-7,9H,2,8,10H2,3H3;(H,3,4)(H,5,6)
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n/an/a 7.60n/an/an/an/an/an/a



A* STAR (Agency of Science, Technology and Research)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in Sf9 cells using 5-hydroxytryptamine substrate assessed as hydrogen peroxide production after 1 hr ...


J Med Chem 58: 1400-19 (2015)


Article DOI: 10.1021/jm501722s
BindingDB Entry DOI: 10.7270/Q2V989R3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50075994
PNG
(CHEMBL3415785)
Show SMILES COc1ccc(OCc2cccc(c2)C(=C)C[NH+](C)CC#C)cc1
Show InChI InChI=1S/C21H23NO2.C2H2O4/c1-5-13-22(3)15-17(2)19-8-6-7-18(14-19)16-24-21-11-9-20(23-4)10-12-21;3-1(4)2(5)6/h1,6-12,14H,2,13,15-16H2,3-4H3;(H,3,4)(H,5,6)
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n/an/a 9n/an/an/an/an/an/a



A* STAR (Agency of Science, Technology and Research)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in Sf9 cells using 5-hydroxytryptamine substrate assessed as hydrogen peroxide production after 1 hr ...


J Med Chem 58: 1400-19 (2015)


Article DOI: 10.1021/jm501722s
BindingDB Entry DOI: 10.7270/Q2V989R3
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50075971
PNG
(CHEMBL3415780)
Show SMILES COc1cccc(COc2cccc(c2)C(=C)C[NH+](C)CC#C)c1
Show InChI InChI=1S/C21H23NO2.C2H2O4/c1-5-12-22(3)15-17(2)19-9-7-11-21(14-19)24-16-18-8-6-10-20(13-18)23-4;3-1(4)2(5)6/h1,6-11,13-14H,2,12,15-16H2,3-4H3;(H,3,4)(H,5,6)
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n/an/a 9n/an/an/an/an/an/a



A* STAR (Agency of Science, Technology and Research)

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-A in nuclei-free homogenates using [14C]hydroxytryptamine substrate after 20 mins by liquid scintillation counting


J Med Chem 58: 1400-19 (2015)


Article DOI: 10.1021/jm501722s
BindingDB Entry DOI: 10.7270/Q2V989R3
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50075966
PNG
(CHEMBL3415614)
Show SMILES C[NH+](CC#C)CC(=C)c1ccc(COc2ccccc2)cc1
Show InChI InChI=1S/C20H21NO.C2H2O4/c1-4-14-21(3)15-17(2)19-12-10-18(11-13-19)16-22-20-8-6-5-7-9-20;3-1(4)2(5)6/h1,5-13H,2,14-16H2,3H3;(H,3,4)(H,5,6)
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n/an/a 9n/an/an/an/an/an/a



A* STAR (Agency of Science, Technology and Research)

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-A in nuclei-free homogenates using [14C]hydroxytryptamine substrate after 20 mins by liquid scintillation counting


J Med Chem 58: 1400-19 (2015)


Article DOI: 10.1021/jm501722s
BindingDB Entry DOI: 10.7270/Q2V989R3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50075970
PNG
(CHEMBL3415779)
Show SMILES C[NH+](CC#C)CC(=C)c1cccc(OCc2ccc(F)cc2)c1
Show InChI InChI=1S/C20H20FNO.C2H2O4/c1-4-12-22(3)14-16(2)18-6-5-7-20(13-18)23-15-17-8-10-19(21)11-9-17;3-1(4)2(5)6/h1,5-11,13H,2,12,14-15H2,3H3;(H,3,4)(H,5,6)
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n/an/a 13n/an/an/an/an/an/a



A* STAR (Agency of Science, Technology and Research)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in Sf9 cells using 5-hydroxytryptamine substrate assessed as hydrogen peroxide production after 1 hr ...


J Med Chem 58: 1400-19 (2015)


Article DOI: 10.1021/jm501722s
BindingDB Entry DOI: 10.7270/Q2V989R3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50075973
PNG
(CHEMBL3415782)
Show SMILES C[NH+](CC#C)CC(=C)c1cccc(COc2cccc(F)c2)c1
Show InChI InChI=1S/C20H20FNO.C2H2O4/c1-4-11-22(3)14-16(2)18-8-5-7-17(12-18)15-23-20-10-6-9-19(21)13-20;3-1(4)2(5)6/h1,5-10,12-13H,2,11,14-15H2,3H3;(H,3,4)(H,5,6)
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n/an/a 14n/an/an/an/an/an/a



A* STAR (Agency of Science, Technology and Research)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in Sf9 cells using 5-hydroxytryptamine substrate assessed as hydrogen peroxide production after 1 hr ...


J Med Chem 58: 1400-19 (2015)


Article DOI: 10.1021/jm501722s
BindingDB Entry DOI: 10.7270/Q2V989R3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50075948
PNG
(CHEMBL3415818)
Show SMILES C[NH+](CC#C)CC(=C)c1ccc(F)c(C)c1
Show InChI InChI=1S/C14H16FN.C2H2O4/c1-5-8-16(4)10-12(3)13-6-7-14(15)11(2)9-13;3-1(4)2(5)6/h1,6-7,9H,3,8,10H2,2,4H3;(H,3,4)(H,5,6)
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n/an/a 17n/an/an/an/an/an/a



A* STAR (Agency of Science, Technology and Research)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in Sf9 cells using 5-hydroxytryptamine substrate assessed as hydrogen peroxide production after 1 hr ...


J Med Chem 58: 1400-19 (2015)


Article DOI: 10.1021/jm501722s
BindingDB Entry DOI: 10.7270/Q2V989R3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50075945
PNG
(CHEMBL3415815)
Show SMILES C[NH+](CC#C)CC(=C)c1ccc(C)c(C)c1
Show InChI InChI=1S/C15H19N.C2H2O4/c1-6-9-16(5)11-14(4)15-8-7-12(2)13(3)10-15;3-1(4)2(5)6/h1,7-8,10H,4,9,11H2,2-3,5H3;(H,3,4)(H,5,6)
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n/an/a 18n/an/an/an/an/an/a



A* STAR (Agency of Science, Technology and Research)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in Sf9 cells using 5-hydroxytryptamine substrate assessed as hydrogen peroxide production after 1 hr ...


J Med Chem 58: 1400-19 (2015)


Article DOI: 10.1021/jm501722s
BindingDB Entry DOI: 10.7270/Q2V989R3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50075975
PNG
(CHEMBL3415784)
Show SMILES COc1cccc(OCc2cccc(c2)C(=C)C[NH+](C)CC#C)c1
Show InChI InChI=1S/C21H23NO2.C2H2O4/c1-5-12-22(3)15-17(2)19-9-6-8-18(13-19)16-24-21-11-7-10-20(14-21)23-4;3-1(4)2(5)6/h1,6-11,13-14H,2,12,15-16H2,3-4H3;(H,3,4)(H,5,6)
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n/an/a 20n/an/an/an/an/an/a



A* STAR (Agency of Science, Technology and Research)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in Sf9 cells using 5-hydroxytryptamine substrate assessed as hydrogen peroxide production after 1 hr ...


J Med Chem 58: 1400-19 (2015)


Article DOI: 10.1021/jm501722s
BindingDB Entry DOI: 10.7270/Q2V989R3
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50075964
PNG
(CHEMBL3415802)
Show SMILES C[NH+](CC#C)CC(=C)c1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C20H21NO.C2H2O4/c1-4-13-21(3)15-17(2)19-11-8-12-20(14-19)22-16-18-9-6-5-7-10-18;3-1(4)2(5)6/h1,5-12,14H,2,13,15-16H2,3H3;(H,3,4)(H,5,6)
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n/an/a 20n/an/an/an/an/an/a



A* STAR (Agency of Science, Technology and Research)

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-A in nuclei-free homogenates using [14C]hydroxytryptamine substrate after 20 mins by liquid scintillation counting


J Med Chem 58: 1400-19 (2015)


Article DOI: 10.1021/jm501722s
BindingDB Entry DOI: 10.7270/Q2V989R3
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50075959
PNG
(CHEMBL3415795)
Show SMILES CN(CC#C)CC(=C)c1ccc(Br)cc1
Show InChI InChI=1S/C13H14BrN/c1-4-9-15(3)10-11(2)12-5-7-13(14)8-6-12/h1,5-8H,2,9-10H2,3H3
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n/an/a 20n/an/an/an/an/an/a



A* STAR (Agency of Science, Technology and Research)

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-A in nuclei-free homogenates using [14C]hydroxytryptamine substrate after 20 mins by liquid scintillation counting


J Med Chem 58: 1400-19 (2015)


Article DOI: 10.1021/jm501722s
BindingDB Entry DOI: 10.7270/Q2V989R3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50075965
PNG
(CHEMBL3415613)
Show SMILES C[NH+](CC#C)CC(=C)c1cccc(COc2ccccc2)c1
Show InChI InChI=1S/C20H21NO.C2H2O4/c1-4-13-21(3)15-17(2)19-10-8-9-18(14-19)16-22-20-11-6-5-7-12-20;3-1(4)2(5)6/h1,5-12,14H,2,13,15-16H2,3H3;(H,3,4)(H,5,6)
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n/an/a 20n/an/an/an/an/an/a



A* STAR (Agency of Science, Technology and Research)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in Sf9 cells using 5-hydroxytryptamine substrate assessed as hydrogen peroxide production after 1 hr ...


J Med Chem 58: 1400-19 (2015)


Article DOI: 10.1021/jm501722s
BindingDB Entry DOI: 10.7270/Q2V989R3
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50075958
PNG
(CHEMBL3415793)
Show SMILES C[NH+](CC#C)CC(=C)c1ccc(Cl)cc1
Show InChI InChI=1S/C13H14ClN.C2H2O4/c1-4-9-15(3)10-11(2)12-5-7-13(14)8-6-12;3-1(4)2(5)6/h1,5-8H,2,9-10H2,3H3;(H,3,4)(H,5,6)
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n/an/a 25n/an/an/an/an/an/a



A* STAR (Agency of Science, Technology and Research)

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-A in nuclei-free homogenates using [14C]hydroxytryptamine substrate after 20 mins by liquid scintillation counting


J Med Chem 58: 1400-19 (2015)


Article DOI: 10.1021/jm501722s
BindingDB Entry DOI: 10.7270/Q2V989R3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50075950
PNG
(CHEMBL3415820)
Show SMILES C[NH+](CC#C)CC(=C)c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C13H13ClFN.C2H2O4/c1-4-7-16(3)9-10(2)11-5-6-13(15)12(14)8-11;3-1(4)2(5)6/h1,5-6,8H,2,7,9H2,3H3;(H,3,4)(H,5,6)
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n/an/a 26n/an/an/an/an/an/a



A* STAR (Agency of Science, Technology and Research)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in Sf9 cells using 5-phenylacetaldehyde substrate assessed as hydrogen peroxide production after 1 hr...


J Med Chem 58: 1400-19 (2015)


Article DOI: 10.1021/jm501722s
BindingDB Entry DOI: 10.7270/Q2V989R3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50075957
PNG
(CHEMBL3415792)
Show SMILES C[NH+](CC#C)CC(=C)c1cccc(Cl)c1
Show InChI InChI=1S/C13H14ClN.C2H2O4/c1-4-8-15(3)10-11(2)12-6-5-7-13(14)9-12;3-1(4)2(5)6/h1,5-7,9H,2,8,10H2,3H3;(H,3,4)(H,5,6)
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n/an/a 30n/an/an/an/an/an/a



A* STAR (Agency of Science, Technology and Research)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in Sf9 cells using 5-hydroxytryptamine substrate assessed as hydrogen peroxide production after 1 hr ...


J Med Chem 58: 1400-19 (2015)


Article DOI: 10.1021/jm501722s
BindingDB Entry DOI: 10.7270/Q2V989R3
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50075952
PNG
(CHEMBL3415804)
Show SMILES C[NH+](CC#C)CC(=C)c1ccoc1
Show InChI InChI=1S/C11H13NO.C2H2O4/c1-4-6-12(3)8-10(2)11-5-7-13-9-11;3-1(4)2(5)6/h1,5,7,9H,2,6,8H2,3H3;(H,3,4)(H,5,6)
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n/an/a 33n/an/an/an/an/an/a



A* STAR (Agency of Science, Technology and Research)

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-A in nuclei-free homogenates using [14C]hydroxytryptamine substrate after 20 mins by liquid scintillation counting


J Med Chem 58: 1400-19 (2015)


Article DOI: 10.1021/jm501722s
BindingDB Entry DOI: 10.7270/Q2V989R3
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50075961
PNG
(CHEMBL3415798)
Show SMILES CN(CC#C)CC(=C)c1ccc(F)cc1
Show InChI InChI=1S/C13H14FN/c1-4-9-15(3)10-11(2)12-5-7-13(14)8-6-12/h1,5-8H,2,9-10H2,3H3
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n/an/a 33n/an/an/an/an/an/a



A* STAR (Agency of Science, Technology and Research)

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-A in nuclei-free homogenates using [14C]hydroxytryptamine substrate after 20 mins by liquid scintillation counting


J Med Chem 58: 1400-19 (2015)


Article DOI: 10.1021/jm501722s
BindingDB Entry DOI: 10.7270/Q2V989R3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50075956
PNG
(CHEMBL3415789)
Show SMILES C[NH+](CC#C)CC(=C)Cc1ccc(F)c(F)c1
Show InChI InChI=1S/C14H15F2N.C2H2O4/c1-4-7-17(3)10-11(2)8-12-5-6-13(15)14(16)9-12;3-1(4)2(5)6/h1,5-6,9H,2,7-8,10H2,3H3;(H,3,4)(H,5,6)
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n/an/a 34n/an/an/an/an/an/a



A* STAR (Agency of Science, Technology and Research)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in Sf9 cells using 5-hydroxytryptamine substrate assessed as hydrogen peroxide production after 1 hr ...


J Med Chem 58: 1400-19 (2015)


Article DOI: 10.1021/jm501722s
BindingDB Entry DOI: 10.7270/Q2V989R3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50075955
PNG
(CHEMBL3415788)
Show SMILES C[NH+](CC#C)CC(=C)CCc1ccccc1
Show InChI InChI=1S/C15H19N.C2H2O4/c1-4-12-16(3)13-14(2)10-11-15-8-6-5-7-9-15;3-1(4)2(5)6/h1,5-9H,2,10-13H2,3H3;(H,3,4)(H,5,6)
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n/an/a 39n/an/an/an/an/an/a



A* STAR (Agency of Science, Technology and Research)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in Sf9 cells using 5-phenylacetaldehyde substrate assessed as hydrogen peroxide production after 1 hr...


J Med Chem 58: 1400-19 (2015)


Article DOI: 10.1021/jm501722s
BindingDB Entry DOI: 10.7270/Q2V989R3
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50075946
PNG
(CHEMBL3415816)
Show SMILES C[NH+](CC#C)CC(=C)c1ccc(F)c(F)c1
Show InChI InChI=1S/C13H13F2N.C2H2O4/c1-4-7-16(3)9-10(2)11-5-6-12(14)13(15)8-11;3-1(4)2(5)6/h1,5-6,8H,2,7,9H2,3H3;(H,3,4)(H,5,6)
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n/an/a 50n/an/an/an/an/an/a



A* STAR (Agency of Science, Technology and Research)

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-A in nuclei-free homogenates using [14C]hydroxytryptamine substrate after 20 mins by liquid scintillation counting


J Med Chem 58: 1400-19 (2015)


Article DOI: 10.1021/jm501722s
BindingDB Entry DOI: 10.7270/Q2V989R3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50075972
PNG
(CHEMBL3415781)
Show SMILES COc1ccc(COc2cccc(c2)C(=C)C[NH+](C)CC#C)cc1
Show InChI InChI=1S/C21H23NO2.C2H2O4/c1-5-13-22(3)15-17(2)19-7-6-8-21(14-19)24-16-18-9-11-20(23-4)12-10-18;3-1(4)2(5)6/h1,6-12,14H,2,13,15-16H2,3-4H3;(H,3,4)(H,5,6)
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n/an/a 50n/an/an/an/an/an/a



A* STAR (Agency of Science, Technology and Research)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in Sf9 cells using 5-hydroxytryptamine substrate assessed as hydrogen peroxide production after 1 hr ...


J Med Chem 58: 1400-19 (2015)


Article DOI: 10.1021/jm501722s
BindingDB Entry DOI: 10.7270/Q2V989R3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50075969
PNG
(CHEMBL3415617)
Show SMILES C[NH+](CC#C)CC(=C)c1cccc(OCc2cccc(F)c2)c1
Show InChI InChI=1S/C20H20FNO.C2H2O4/c1-4-11-22(3)14-16(2)18-8-6-10-20(13-18)23-15-17-7-5-9-19(21)12-17;3-1(4)2(5)6/h1,5-10,12-13H,2,11,14-15H2,3H3;(H,3,4)(H,5,6)
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n/an/a 50n/an/an/an/an/an/a



A* STAR (Agency of Science, Technology and Research)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in Sf9 cells using 5-hydroxytryptamine substrate assessed as hydrogen peroxide production after 1 hr ...


J Med Chem 58: 1400-19 (2015)


Article DOI: 10.1021/jm501722s
BindingDB Entry DOI: 10.7270/Q2V989R3
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50075951
PNG
(CHEMBL3415810)
Show SMILES CN(CC#C)CC(=C)c1ccccc1
Show InChI InChI=1S/C13H15N/c1-4-10-14(3)11-12(2)13-8-6-5-7-9-13/h1,5-9H,2,10-11H2,3H3
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n/an/a 50n/an/an/an/an/an/a



A* STAR (Agency of Science, Technology and Research)

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-A in nuclei-free homogenates using [14C]hydroxytryptamine substrate after 20 mins by liquid scintillation counting


J Med Chem 58: 1400-19 (2015)


Article DOI: 10.1021/jm501722s
BindingDB Entry DOI: 10.7270/Q2V989R3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50075966
PNG
(CHEMBL3415614)
Show SMILES C[NH+](CC#C)CC(=C)c1ccc(COc2ccccc2)cc1
Show InChI InChI=1S/C20H21NO.C2H2O4/c1-4-14-21(3)15-17(2)19-12-10-18(11-13-19)16-22-20-8-6-5-7-9-20;3-1(4)2(5)6/h1,5-13H,2,14-16H2,3H3;(H,3,4)(H,5,6)
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A* STAR (Agency of Science, Technology and Research)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in Sf9 cells using 5-hydroxytryptamine substrate assessed as hydrogen peroxide production after 1 hr ...


J Med Chem 58: 1400-19 (2015)


Article DOI: 10.1021/jm501722s
BindingDB Entry DOI: 10.7270/Q2V989R3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50075963
PNG
(CHEMBL3415801)
Show SMILES COc1ccc(cc1)C(=C)CN(C)CC#C
Show InChI InChI=1S/C14H17NO/c1-5-10-15(3)11-12(2)13-6-8-14(16-4)9-7-13/h1,6-9H,2,10-11H2,3-4H3
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n/an/a 56n/an/an/an/an/an/a



A* STAR (Agency of Science, Technology and Research)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in Sf9 cells using 5-phenylacetaldehyde substrate assessed as hydrogen peroxide production after 1 hr...


J Med Chem 58: 1400-19 (2015)


Article DOI: 10.1021/jm501722s
BindingDB Entry DOI: 10.7270/Q2V989R3
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50075967
PNG
(CHEMBL3415615)
Show SMILES C[NH+](CC#C)CC(=C)c1cccc(CNc2ccccc2)c1
Show InChI InChI=1S/C20H22N2.C2H2O4/c1-4-13-22(3)16-17(2)19-10-8-9-18(14-19)15-21-20-11-6-5-7-12-20;3-1(4)2(5)6/h1,5-12,14,21H,2,13,15-16H2,3H3;(H,3,4)(H,5,6)
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n/an/a 60n/an/an/an/an/an/a



A* STAR (Agency of Science, Technology and Research)

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-A in nuclei-free homogenates using [14C]hydroxytryptamine substrate after 20 mins by liquid scintillation counting


J Med Chem 58: 1400-19 (2015)


Article DOI: 10.1021/jm501722s
BindingDB Entry DOI: 10.7270/Q2V989R3
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50075953
PNG
(CHEMBL3415805)
Show SMILES CN(CC#C)CC(=C)c1cccs1
Show InChI InChI=1S/C11H13NS/c1-4-7-12(3)9-10(2)11-6-5-8-13-11/h1,5-6,8H,2,7,9H2,3H3
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n/an/a 60n/an/an/an/an/an/a



A* STAR (Agency of Science, Technology and Research)

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-A in nuclei-free homogenates using [14C]hydroxytryptamine substrate after 20 mins by liquid scintillation counting


J Med Chem 58: 1400-19 (2015)


Article DOI: 10.1021/jm501722s
BindingDB Entry DOI: 10.7270/Q2V989R3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50075951
PNG
(CHEMBL3415810)
Show SMILES CN(CC#C)CC(=C)c1ccccc1
Show InChI InChI=1S/C13H15N/c1-4-10-14(3)11-12(2)13-8-6-5-7-9-13/h1,5-9H,2,10-11H2,3H3
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n/an/a 60n/an/an/an/an/an/a



A* STAR (Agency of Science, Technology and Research)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in Sf9 cells using 5-hydroxytryptamine substrate assessed as hydrogen peroxide production after 1 hr ...


J Med Chem 58: 1400-19 (2015)


Article DOI: 10.1021/jm501722s
BindingDB Entry DOI: 10.7270/Q2V989R3
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50075955
PNG
(CHEMBL3415788)
Show SMILES C[NH+](CC#C)CC(=C)CCc1ccccc1
Show InChI InChI=1S/C15H19N.C2H2O4/c1-4-12-16(3)13-14(2)10-11-15-8-6-5-7-9-15;3-1(4)2(5)6/h1,5-9H,2,10-13H2,3H3;(H,3,4)(H,5,6)
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n/an/a 60n/an/an/an/an/an/a



A* STAR (Agency of Science, Technology and Research)

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-A in nuclei-free homogenates using [14C]hydroxytryptamine substrate after 20 mins by liquid scintillation counting


J Med Chem 58: 1400-19 (2015)


Article DOI: 10.1021/jm501722s
BindingDB Entry DOI: 10.7270/Q2V989R3
More data for this
Ligand-Target Pair
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