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Compile Data Set for Download or QSAR

Found 118 hits with Last Name = 'kang' and Initial = 'mg'   
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] B


(Homo sapiens (Human))
BDBM50535076
PNG
((+/-)-Maackiain | (-)-Maackiain | CHEBI:99 | L-Maa...)
Show SMILES [H][C@@]12COc3cc(O)ccc3[C@]1([H])Oc1cc3OCOc3cc21 |r|
Show InChI InChI=1S/C16H12O5/c17-8-1-2-9-12(3-8)18-6-11-10-4-14-15(20-7-19-14)5-13(10)21-16(9)11/h1-5,11,16-17H,6-7H2/t11-,16-/m0/s1
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54n/an/an/an/an/an/an/an/a



Sunchon National University

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells using benzylamine as substrate by Lineweaver-Bur...


Bioorg Med Chem Lett 26: 4714-4719 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.044
BindingDB Entry DOI: 10.7270/Q2M90D5H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50180260
PNG
((Z)-2-(4-Hydroxybenzylidene)-6-hydroxybenzofuran-3...)
Show SMILES Oc1ccc(\C=C2/Oc3cc(O)ccc3C2=O)cc1
Show InChI InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)7-14-15(18)12-6-5-11(17)8-13(12)19-14/h1-8,16-17H/b14-7-
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100n/an/an/an/an/an/an/an/a



Sunchon National University

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant MAOA using 0.006 to 0.15 mM kynuramine as substrate preincubated for 30 mins followed by substrate additi...


Bioorg Med Chem Lett 28: 584-588 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.049
BindingDB Entry DOI: 10.7270/Q25T3P2R
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM25524
PNG
(17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyc...)
Show SMILES COc1ccc2c(c[n+](C)c3c4cc5OCOc5cc4ccc23)c1OC
Show InChI InChI=1S/C21H18NO4/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22/h4-10H,11H2,1-3H3/q+1
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220n/an/an/an/an/an/an/an/a



Sunchon National University

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant human MAO-A using kynuramine as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 28: 2403-2407 (2018)


Article DOI: 10.1016/j.bmcl.2018.06.023
BindingDB Entry DOI: 10.7270/Q23R0WCT
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50013811
PNG
(9H-beta-Carboline | 9H-pyrido[3,4-b]indole | CHEMB...)
Show SMILES c1ccc2c(c1)[nH]c1cnccc21
Show InChI InChI=1S/C11H8N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-7,13H
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260n/an/an/an/an/an/an/an/a



Sunchon National University

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant human MAO-A using kynuramine as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 28: 2403-2407 (2018)


Article DOI: 10.1016/j.bmcl.2018.06.023
BindingDB Entry DOI: 10.7270/Q23R0WCT
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50240868
PNG
(7-Hydroxy-8-(3-methyl-but-2-enyl)-chromen-2-one | ...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc2ccc(=O)oc12
Show InChI InChI=1S/C14H14O3/c1-9(2)3-6-11-12(15)7-4-10-5-8-13(16)17-14(10)11/h3-5,7-8,15H,6H2,1-2H3
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260n/an/an/an/an/an/an/an/a



Sunchon National University

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant MAO-A expressed in baculovirus infected BTI insect cells using kynuramine as substrate after 20 mins by L...


Bioorg Med Chem Lett 29: 839-843 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.016
BindingDB Entry DOI: 10.7270/Q2WW7N5D
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM67454
PNG
(1,2,4-trihydroxy-9,10-anthraquinone | 1,2,4-trihyd...)
Show SMILES Oc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1O
Show InChI InChI=1S/C14H8O5/c15-8-5-9(16)14(19)11-10(8)12(17)6-3-1-2-4-7(6)13(11)18/h1-5,15-16,19H
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422n/an/an/an/an/an/an/an/a



Sunchon National University

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant human MAO-A using 0.01 to 0.5 mM kynuramine substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 27: 1136-1140 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.085
BindingDB Entry DOI: 10.7270/Q2J67K5K
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50331545
PNG
(2H-furo[2,3-h]chromen-2-one | CHEMBL53569 | Furo[2...)
Show SMILES O=c1ccc2ccc3occc3c2o1
Show InChI InChI=1S/C11H6O3/c12-10-4-2-7-1-3-9-8(5-6-13-9)11(7)14-10/h1-6H
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460n/an/an/an/an/an/an/an/a



Sunchon National University

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant MAO-A expressed in baculovirus infected BTI insect cells using kynuramine as substrate after 20 mins by L...


Bioorg Med Chem Lett 29: 839-843 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.016
BindingDB Entry DOI: 10.7270/Q2WW7N5D
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50180260
PNG
((Z)-2-(4-Hydroxybenzylidene)-6-hydroxybenzofuran-3...)
Show SMILES Oc1ccc(\C=C2/Oc3cc(O)ccc3C2=O)cc1
Show InChI InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)7-14-15(18)12-6-5-11(17)8-13(12)19-14/h1-8,16-17H/b14-7-
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510n/an/an/an/an/an/an/an/a



Sunchon National University

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant MAOB using 0.06 to 1.5 mM benzylamine as substrate preincubated for 30 mins followed by substrate additio...


Bioorg Med Chem Lett 28: 584-588 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.049
BindingDB Entry DOI: 10.7270/Q25T3P2R
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50013811
PNG
(9H-beta-Carboline | 9H-pyrido[3,4-b]indole | CHEMB...)
Show SMILES c1ccc2c(c1)[nH]c1cnccc21
Show InChI InChI=1S/C11H8N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-7,13H
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1.12E+3n/an/an/an/an/an/an/an/a



Sunchon National University

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant human MAO-B expressed in baculovirus system using kynuramine as substrate after 40 mins by Lineweaver-Burk plot...


Bioorg Med Chem Lett 26: 4714-4719 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.044
BindingDB Entry DOI: 10.7270/Q2M90D5H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Mus musculus)
BDBM50305644
PNG
((2E,4E)-5-Benzo[1,3]dioxol-5-yl-penta-2,4-dienoic ...)
Show SMILES COC(=O)\C=C\C=C\c1ccc2OCOc2c1
Show InChI InChI=1S/C13H12O4/c1-15-13(14)5-3-2-4-10-6-7-11-12(8-10)17-9-16-11/h2-8H,9H2,1H3/b4-2+,5-3+
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1.30E+3n/an/an/an/an/an/an/an/a



Sunchon National University

Curated by ChEMBL


Assay Description
Competitive inhibition of mouse brain mitochondrial MAO-B using kynuramine as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 26: 4714-4719 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.044
BindingDB Entry DOI: 10.7270/Q2M90D5H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50233263
PNG
(CHEMBL594240)
Show SMILES Cn1ccc2c(c1)nc1ccccc21
Show InChI InChI=1S/C12H10N2/c1-14-7-6-10-9-4-2-3-5-11(9)13-12(10)8-14/h2-8H,1H3
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1.43E+3n/an/an/an/an/an/an/an/a



Sunchon National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human liver MAO-A expressed in yeast using kynuramine as substrate preincubated for 3 mins followed by substrate addition b...


Bioorg Med Chem Lett 27: 1136-1140 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.085
BindingDB Entry DOI: 10.7270/Q2J67K5K
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50036514
PNG
(CHEMBL3353566)
Show SMILES CNc1ccccc1-c1nc(cs1)C(=O)OC
Show InChI InChI=1S/C12H12N2O2S/c1-13-9-6-4-3-5-8(9)11-14-10(7-17-11)12(15)16-2/h3-7,13H,1-2H3
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1.84E+3n/an/an/an/an/an/an/an/a



Sunchon National University

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant human MAO-A using varying levels of kynuramine substrate after 5 mins by Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 27: 1136-1140 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.085
BindingDB Entry DOI: 10.7270/Q2J67K5K
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM15581
PNG
(CHEMBL8706 | CLG | CLORGILINE | Clorgyline | N-[3-...)
Show SMILES CN(CCCOc1ccc(Cl)cc1Cl)CC#C
Show InChI InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3
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n/an/a 4.90n/an/an/an/an/an/a



Sunchon National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells preincubated for 10 mins followed by addition of kynuramine ...


Bioorg Med Chem Lett 26: 4714-4719 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.044
BindingDB Entry DOI: 10.7270/Q2M90D5H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM15581
PNG
(CHEMBL8706 | CLG | CLORGILINE | Clorgyline | N-[3-...)
Show SMILES CN(CCCOc1ccc(Cl)cc1Cl)CC#C
Show InChI InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3
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n/an/a 4.90n/an/an/an/an/an/a



Sunchon National University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI insect cells using kynuramine as substrate after 20 mins by spectrophotom...


Bioorg Med Chem Lett 29: 839-843 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.016
BindingDB Entry DOI: 10.7270/Q2WW7N5D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM15581
PNG
(CHEMBL8706 | CLG | CLORGILINE | Clorgyline | N-[3-...)
Show SMILES CN(CCCOc1ccc(Cl)cc1Cl)CC#C
Show InChI InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3
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n/an/a 6.20n/an/an/an/an/an/a



Sunchon National University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA using kynuramine as substrate preincubated for 30 mins followed by substrate addition


Bioorg Med Chem Lett 28: 584-588 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.049
BindingDB Entry DOI: 10.7270/Q25T3P2R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM15581
PNG
(CHEMBL8706 | CLG | CLORGILINE | Clorgyline | N-[3-...)
Show SMILES CN(CCCOc1ccc(Cl)cc1Cl)CC#C
Show InChI InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3
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n/an/a 10n/an/an/an/an/an/a



Sunchon National University

Curated by ChEMBL


Assay Description
Reversible inhibition of recombinant human MAO-A assessed as residual activity using kynuramine as substrate preincubated for 30 mins followed by dia...


Bioorg Med Chem Lett 28: 2403-2407 (2018)


Article DOI: 10.1016/j.bmcl.2018.06.023
BindingDB Entry DOI: 10.7270/Q23R0WCT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50029816
PNG
(5-Chloro-pyridine-2-carboxylic acid (2-amino-ethyl...)
Show SMILES NCCNC(=O)c1ccc(Cl)cn1
Show InChI InChI=1S/C8H10ClN3O/c9-6-1-2-7(12-5-6)8(13)11-4-3-10/h1-2,5H,3-4,10H2,(H,11,13)
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n/an/a 15n/an/an/an/an/an/a



Sunchon National University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB using benzylamine as substrate preincubated for 30 mins followed by substrate addition


Bioorg Med Chem Lett 28: 584-588 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.049
BindingDB Entry DOI: 10.7270/Q25T3P2R
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50029816
PNG
(5-Chloro-pyridine-2-carboxylic acid (2-amino-ethyl...)
Show SMILES NCCNC(=O)c1ccc(Cl)cn1
Show InChI InChI=1S/C8H10ClN3O/c9-6-1-2-7(12-5-6)8(13)11-4-3-10/h1-2,5H,3-4,10H2,(H,11,13)
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n/an/a 33n/an/an/an/an/an/a



Sunchon National University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI insect cells using benzylamine as substrate after 30 mins by spectrophoto...


Bioorg Med Chem Lett 29: 839-843 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.016
BindingDB Entry DOI: 10.7270/Q2WW7N5D
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50029816
PNG
(5-Chloro-pyridine-2-carboxylic acid (2-amino-ethyl...)
Show SMILES NCCNC(=O)c1ccc(Cl)cn1
Show InChI InChI=1S/C8H10ClN3O/c9-6-1-2-7(12-5-6)8(13)11-4-3-10/h1-2,5H,3-4,10H2,(H,11,13)
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n/an/a 37n/an/an/an/an/an/a



Sunchon National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using benzylamine as substrate incubated for 30 mins by spectrophotometric method


Bioorg Med Chem Lett 28: 2403-2407 (2018)


Article DOI: 10.1016/j.bmcl.2018.06.023
BindingDB Entry DOI: 10.7270/Q23R0WCT
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50479043
PNG
(CHEBI:80897 | Rhamnocitrin)
Show SMILES COc1cc(O)c2c(c1)oc(-c1ccc(O)cc1)c(O)c2=O
Show InChI InChI=1S/C16H12O6/c1-21-10-6-11(18)13-12(7-10)22-16(15(20)14(13)19)8-2-4-9(17)5-3-8/h2-7,17-18,20H,1H3
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n/an/a 51n/an/an/an/an/an/a



Sunchon National University

Curated by ChEMBL


Assay Description
Inhibition of human MAO-A using kynuramine as substrate after 30 mins by spectrophotometric analysis


Bioorg Med Chem Lett 29: 839-843 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.016
BindingDB Entry DOI: 10.7270/Q2WW7N5D
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50172756
PNG
(Benzyl-methyl-prop-2-ynyl-amine | CHEMBL673 | Euto...)
Show SMILES CN(CC#C)Cc1ccccc1
Show InChI InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3
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n/an/a 100n/an/an/an/an/an/a



Sunchon National University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI insect cells using benzylamine as substrate after 30 mins by spectrophoto...


Bioorg Med Chem Lett 29: 839-843 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.016
BindingDB Entry DOI: 10.7270/Q2WW7N5D
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50172756
PNG
(Benzyl-methyl-prop-2-ynyl-amine | CHEMBL673 | Euto...)
Show SMILES CN(CC#C)Cc1ccccc1
Show InChI InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3
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n/an/a 103n/an/an/an/an/an/a



Sunchon National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells preincubated for 10 mins followed by addition of benzylamine...


Bioorg Med Chem Lett 26: 4714-4719 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.044
BindingDB Entry DOI: 10.7270/Q2M90D5H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50172756
PNG
(Benzyl-methyl-prop-2-ynyl-amine | CHEMBL673 | Euto...)
Show SMILES CN(CC#C)Cc1ccccc1
Show InChI InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3
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n/an/a 120n/an/an/an/an/an/a



Sunchon National University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB using benzylamine as substrate preincubated for 30 mins followed by substrate addition


Bioorg Med Chem Lett 28: 584-588 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.049
BindingDB Entry DOI: 10.7270/Q25T3P2R
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50029816
PNG
(5-Chloro-pyridine-2-carboxylic acid (2-amino-ethyl...)
Show SMILES NCCNC(=O)c1ccc(Cl)cn1
Show InChI InChI=1S/C8H10ClN3O/c9-6-1-2-7(12-5-6)8(13)11-4-3-10/h1-2,5H,3-4,10H2,(H,11,13)
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n/an/a 120n/an/an/an/an/an/a



Sunchon National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using benzylamine as substrate preincubated for 30 mins followed by substrate addition


Bioorg Med Chem Lett 27: 1136-1140 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.085
BindingDB Entry DOI: 10.7270/Q2J67K5K
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM23415
PNG
(5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one...)
Show SMILES COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-8,17-18H,1H3
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n/an/a 190n/an/an/an/an/an/a



Sunchon National University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA using kynuramine as substrate preincubated for 30 mins followed by substrate addition


Bioorg Med Chem Lett 28: 584-588 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.049
BindingDB Entry DOI: 10.7270/Q25T3P2R
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM23415
PNG
(5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one...)
Show SMILES COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-8,17-18H,1H3
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n/an/a 190n/an/an/an/an/an/a



Sunchon National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A using kynuramine as substrate incubated for 20 mins by spectrophotometric method


Bioorg Med Chem Lett 28: 2403-2407 (2018)


Article DOI: 10.1016/j.bmcl.2018.06.023
BindingDB Entry DOI: 10.7270/Q23R0WCT
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50084978
PNG
(3,5,7-trihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-...)
Show SMILES COc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C16H12O6/c1-21-10-4-2-8(3-5-10)16-15(20)14(19)13-11(18)6-9(17)7-12(13)22-16/h2-7,17-18,20H,1H3
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n/an/a 190n/an/an/an/an/an/a



Sunchon National University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI insect cells using kynuramine as substrate after 20 mins by spectrophotom...


Bioorg Med Chem Lett 29: 839-843 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.016
BindingDB Entry DOI: 10.7270/Q2WW7N5D
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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n/an/a 230n/an/an/an/an/an/a



Sunchon National University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by Ellman's metho...


Bioorg Med Chem Lett 29: 839-843 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.016
BindingDB Entry DOI: 10.7270/Q2WW7N5D
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50180260
PNG
((Z)-2-(4-Hydroxybenzylidene)-6-hydroxybenzofuran-3...)
Show SMILES Oc1ccc(\C=C2/Oc3cc(O)ccc3C2=O)cc1
Show InChI InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)7-14-15(18)12-6-5-11(17)8-13(12)19-14/h1-8,16-17H/b14-7-
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n/an/a 260n/an/an/an/an/an/a



Sunchon National University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA using kynuramine as substrate preincubated for 30 mins followed by substrate addition


Bioorg Med Chem Lett 28: 584-588 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.049
BindingDB Entry DOI: 10.7270/Q25T3P2R
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Mus musculus)
BDBM50490813
PNG
(CHEMBL2346911)
Show SMILES C\C(CC[C@@H](O)C(C)=C)=C/COc1ccc2ccc(=O)oc2c1 |r|
Show InChI InChI=1S/C19H22O4/c1-13(2)17(20)8-4-14(3)10-11-22-16-7-5-15-6-9-19(21)23-18(15)12-16/h5-7,9-10,12,17,20H,1,4,8,11H2,2-3H3/b14-10+/t17-/m1/s1
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n/an/a 500n/an/an/an/an/an/a



Sunchon National University

Curated by ChEMBL


Assay Description
Inhibition of mouse MAO-B preincubated for 15 mins followed by addition of kynuramine as substrate measured after 30 mins by fluorometric analysis


Bioorg Med Chem Lett 26: 4714-4719 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.044
BindingDB Entry DOI: 10.7270/Q2M90D5H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM25524
PNG
(17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyc...)
Show SMILES COc1ccc2c(c[n+](C)c3c4cc5OCOc5cc4ccc23)c1OC
Show InChI InChI=1S/C21H18NO4/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22/h4-10H,11H2,1-3H3/q+1
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n/an/a 550n/an/an/an/an/an/a



Sunchon National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A using kynuramine as substrate incubated for 20 mins by spectrophotometric method


Bioorg Med Chem Lett 28: 2403-2407 (2018)


Article DOI: 10.1016/j.bmcl.2018.06.023
BindingDB Entry DOI: 10.7270/Q23R0WCT
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Mus musculus)
BDBM50361373
PNG
(AURAPTENE)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C19H22O3/c1-14(2)5-4-6-15(3)11-12-21-17-9-7-16-8-10-19(20)22-18(16)13-17/h5,7-11,13H,4,6,12H2,1-3H3/b15-11+
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n/an/a 600n/an/an/an/an/an/a



Sunchon National University

Curated by ChEMBL


Assay Description
Inhibition of mouse MAO-B preincubated for 15 mins followed by addition of kynuramine as substrate measured after 30 mins by fluorometric analysis


Bioorg Med Chem Lett 26: 4714-4719 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.044
BindingDB Entry DOI: 10.7270/Q2M90D5H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50535076
PNG
((+/-)-Maackiain | (-)-Maackiain | CHEBI:99 | L-Maa...)
Show SMILES [H][C@@]12COc3cc(O)ccc3[C@]1([H])Oc1cc3OCOc3cc21 |r|
Show InChI InChI=1S/C16H12O5/c17-8-1-2-9-12(3-8)18-6-11-10-4-14-15(20-7-19-14)5-13(10)21-16(9)11/h1-5,11,16-17H,6-7H2/t11-,16-/m0/s1
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n/an/a 680n/an/an/an/an/an/a



Sunchon National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells preincubated for 10 mins followed by addition of benzylamine...


Bioorg Med Chem Lett 26: 4714-4719 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.044
BindingDB Entry DOI: 10.7270/Q2M90D5H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50240868
PNG
(7-Hydroxy-8-(3-methyl-but-2-enyl)-chromen-2-one | ...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc2ccc(=O)oc12
Show InChI InChI=1S/C14H14O3/c1-9(2)3-6-11-12(15)7-4-10-5-8-13(16)17-14(10)11/h3-5,7-8,15H,6H2,1-2H3
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n/an/a 740n/an/an/an/an/an/a



Sunchon National University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI insect cells using kynuramine as substrate after 20 mins by spectrophotom...


Bioorg Med Chem Lett 29: 839-843 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.016
BindingDB Entry DOI: 10.7270/Q2WW7N5D
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Mus musculus)
BDBM50535080
PNG
(CHEMBL4453259)
Show SMILES [#6]-[#8]-c1ccc(cc1)-c1coc2cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c2c1=O
Show InChI InChI=1S/C21H20O5/c1-12(2)4-9-15-17(22)10-18-19(20(15)23)21(24)16(11-26-18)13-5-7-14(25-3)8-6-13/h4-8,10-11,22-23H,9H2,1-3H3
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n/an/a 800n/an/an/an/an/an/a



Sunchon National University

Curated by ChEMBL


Assay Description
Inhibition of mouse MAO-B preincubated for 15 mins followed by addition of kynuramine as substrate measured after 30 mins by fluorometric analysis


Bioorg Med Chem Lett 26: 4714-4719 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.044
BindingDB Entry DOI: 10.7270/Q2M90D5H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50331545
PNG
(2H-furo[2,3-h]chromen-2-one | CHEMBL53569 | Furo[2...)
Show SMILES O=c1ccc2ccc3occc3c2o1
Show InChI InChI=1S/C11H6O3/c12-10-4-2-7-1-3-9-8(5-6-13-9)11(7)14-10/h1-6H
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n/an/a 880n/an/an/an/an/an/a



Sunchon National University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI insect cells using kynuramine as substrate after 20 mins by spectrophotom...


Bioorg Med Chem Lett 29: 839-843 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.016
BindingDB Entry DOI: 10.7270/Q2WW7N5D
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50110725
PNG
(5-(hydroxymethyl)-3-(3-methylphenyl)-oxazolidin-2-...)
Show SMILES Cc1cccc(c1)N1CC(CO)OC1=O
Show InChI InChI=1S/C11H13NO3/c1-8-3-2-4-9(5-8)12-6-10(7-13)15-11(12)14/h2-5,10,13H,6-7H2,1H3
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n/an/a 930n/an/an/an/an/an/a



Sunchon National University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI insect cells using kynuramine as substrate after 20 mins by spectrophotom...


Bioorg Med Chem Lett 29: 839-843 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.016
BindingDB Entry DOI: 10.7270/Q2WW7N5D
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50110725
PNG
(5-(hydroxymethyl)-3-(3-methylphenyl)-oxazolidin-2-...)
Show SMILES Cc1cccc(c1)N1CC(CO)OC1=O
Show InChI InChI=1S/C11H13NO3/c1-8-3-2-4-9(5-8)12-6-10(7-13)15-11(12)14/h2-5,10,13H,6-7H2,1H3
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n/an/a 980n/an/an/an/an/an/a



Sunchon National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A using kynuramine as substrate incubated for 20 mins by spectrophotometric method


Bioorg Med Chem Lett 28: 2403-2407 (2018)


Article DOI: 10.1016/j.bmcl.2018.06.023
BindingDB Entry DOI: 10.7270/Q23R0WCT
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50110725
PNG
(5-(hydroxymethyl)-3-(3-methylphenyl)-oxazolidin-2-...)
Show SMILES Cc1cccc(c1)N1CC(CO)OC1=O
Show InChI InChI=1S/C11H13NO3/c1-8-3-2-4-9(5-8)12-6-10(7-13)15-11(12)14/h2-5,10,13H,6-7H2,1H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



Sunchon National University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA using kynuramine as substrate preincubated for 30 mins followed by substrate addition


Bioorg Med Chem Lett 28: 584-588 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.049
BindingDB Entry DOI: 10.7270/Q25T3P2R
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Mus musculus)
BDBM50531888
PNG
(CHEMBL4162879)
Show SMILES C\C(CCC(O)C(C)=C)=C/COc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C19H22O4/c1-13(2)17(20)8-4-14(3)10-11-22-16-7-5-15-6-9-19(21)23-18(15)12-16/h5-7,9-10,12,17,20H,1,4,8,11H2,2-3H3/b14-10+
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n/an/a 1.30E+3n/an/an/an/an/an/a



Sunchon National University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in mouse brain mitochondrial fraction using kynuramine as substrate after 30 mins by fluorometric analysis


Bioorg Med Chem Lett 29: 839-843 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.016
BindingDB Entry DOI: 10.7270/Q2WW7N5D
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM7458
PNG
(5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
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n/an/a 1.55E+3n/an/an/an/an/an/a



Sunchon National University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA using kynuramine as substrate preincubated for 30 mins followed by substrate addition


Bioorg Med Chem Lett 28: 584-588 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.049
BindingDB Entry DOI: 10.7270/Q25T3P2R
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM7458
PNG
(5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
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n/an/a 1.55E+3n/an/an/an/an/an/a



Sunchon National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A using kynuramine as substrate incubated for 20 mins by spectrophotometric method


Bioorg Med Chem Lett 28: 2403-2407 (2018)


Article DOI: 10.1016/j.bmcl.2018.06.023
BindingDB Entry DOI: 10.7270/Q23R0WCT
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM7458
PNG
(5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
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PubMed
n/an/a 1.55E+3n/an/an/an/an/an/a



Sunchon National University

Curated by ChEMBL


Assay Description
Inhibition of human MAO-A using kynuramine as substrate after 20 mins by fluorescence spectrophotometric analysis


Bioorg Med Chem Lett 29: 839-843 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.016
BindingDB Entry DOI: 10.7270/Q2WW7N5D
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50276157
PNG
(Alternariol 5-O-Methyl Ether | CHEMBL483526)
Show SMILES COc1cc(O)c2c(c1)c1c(C)cc(O)cc1oc2=O
Show InChI InChI=1S/C15H12O5/c1-7-3-8(16)4-12-13(7)10-5-9(19-2)6-11(17)14(10)15(18)20-12/h3-6,16-17H,1-2H3
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n/an/a 1.71E+3n/an/an/an/an/an/a



Sunchon National University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA using kynuramine as substrate preincubated for 30 mins followed by substrate addition


Bioorg Med Chem Lett 28: 584-588 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.049
BindingDB Entry DOI: 10.7270/Q25T3P2R
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50276157
PNG
(Alternariol 5-O-Methyl Ether | CHEMBL483526)
Show SMILES COc1cc(O)c2c(c1)c1c(C)cc(O)cc1oc2=O
Show InChI InChI=1S/C15H12O5/c1-7-3-8(16)4-12-13(7)10-5-9(19-2)6-11(17)14(10)15(18)20-12/h3-6,16-17H,1-2H3
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n/an/a 1.71E+3n/an/an/an/an/an/a



Sunchon National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A using kynuramine as substrate incubated for 10 mins by spectrophotometric method


Bioorg Med Chem Lett 28: 2403-2407 (2018)


Article DOI: 10.1016/j.bmcl.2018.06.023
BindingDB Entry DOI: 10.7270/Q23R0WCT
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50361396
PNG
((S)-(+)-Decursin | DECURSIN)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6](=O)-[#8]-[#6@H]1-[#6]-c2cc3ccc(=O)oc3cc2-[#8]C1([#6])[#6] |r|
Show InChI InChI=1S/C19H20O5/c1-11(2)7-18(21)23-16-9-13-8-12-5-6-17(20)22-14(12)10-15(13)24-19(16,3)4/h5-8,10,16H,9H2,1-4H3/t16-/m0/s1
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n/an/a 1.76E+3n/an/an/an/an/an/a



Sunchon National University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using kynuramine as substrate after 10 mins


Bioorg Med Chem Lett 29: 839-843 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.016
BindingDB Entry DOI: 10.7270/Q2WW7N5D
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50361396
PNG
((S)-(+)-Decursin | DECURSIN)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6](=O)-[#8]-[#6@H]1-[#6]-c2cc3ccc(=O)oc3cc2-[#8]C1([#6])[#6] |r|
Show InChI InChI=1S/C19H20O5/c1-11(2)7-18(21)23-16-9-13-8-12-5-6-17(20)22-14(12)10-15(13)24-19(16,3)4/h5-8,10,16H,9H2,1-4H3/t16-/m0/s1
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PubMed
n/an/a 1.76E+3n/an/an/an/an/an/a



Sunchon National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A using kynuramine as substrate incubated for 10 mins by spectrophotometric method


Bioorg Med Chem Lett 28: 2403-2407 (2018)


Article DOI: 10.1016/j.bmcl.2018.06.023
BindingDB Entry DOI: 10.7270/Q23R0WCT
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50361396
PNG
((S)-(+)-Decursin | DECURSIN)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6](=O)-[#8]-[#6@H]1-[#6]-c2cc3ccc(=O)oc3cc2-[#8]C1([#6])[#6] |r|
Show InChI InChI=1S/C19H20O5/c1-11(2)7-18(21)23-16-9-13-8-12-5-6-17(20)22-14(12)10-15(13)24-19(16,3)4/h5-8,10,16H,9H2,1-4H3/t16-/m0/s1
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Article
PubMed
n/an/a 1.76E+3n/an/an/an/an/an/a



Sunchon National University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA using kynuramine as substrate preincubated for 30 mins followed by substrate addition


Bioorg Med Chem Lett 28: 584-588 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.049
BindingDB Entry DOI: 10.7270/Q25T3P2R
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50110725
PNG
(5-(hydroxymethyl)-3-(3-methylphenyl)-oxazolidin-2-...)
Show SMILES Cc1cccc(c1)N1CC(CO)OC1=O
Show InChI InChI=1S/C11H13NO3/c1-8-3-2-4-9(5-8)12-6-10(7-13)15-11(12)14/h2-5,10,13H,6-7H2,1H3
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n/an/a 1.78E+3n/an/an/an/an/an/a



Sunchon National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A using kynuramine as substrate incubated for 10 mins


Bioorg Med Chem Lett 27: 1136-1140 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.085
BindingDB Entry DOI: 10.7270/Q2J67K5K
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50259953
PNG
(CHEMBL499847 | bakuchicin)
Show SMILES O=c1ccc2c3occc3ccc2o1
Show InChI InChI=1S/C11H6O3/c12-10-4-2-8-9(14-10)3-1-7-5-6-13-11(7)8/h1-6H
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PubMed
n/an/a 1.78E+3n/an/an/an/an/an/a



Sunchon National University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI insect cells using kynuramine as substrate after 20 mins by spectrophotom...


Bioorg Med Chem Lett 29: 839-843 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.016
BindingDB Entry DOI: 10.7270/Q2WW7N5D
More data for this
Ligand-Target Pair
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