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Compile Data Set for Download or QSAR

Found 30 hits Enz. Inhib. hit(s) with all data for entry = 50010093   
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] 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))
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] 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


(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] 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] 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] B


(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>2.00E+3n/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))
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>2.00E+3n/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
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM19459
PNG
(5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
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n/an/a 3.90E+3n/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
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM19459
PNG
(5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
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n/an/a 4.10E+3n/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))
BDBM19459
PNG
(5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
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n/an/a 6.80E+3n/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 assessed as decrease in arbitrary light units preincubated f...


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))
BDBM19459
PNG
(5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
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n/an/a 9.70E+3n/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 assessed as decrease in arbitrary light units preincubated f...


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))
BDBM50535078
PNG
(CHEMBL4446827)
Show SMILES [H][C@@]12COc3c(O)c(OC)ccc3[C@]1([H])Oc1cc3OCOc3cc21 |r|
Show InChI InChI=1S/C17H14O6/c1-19-11-3-2-8-16-10(6-20-17(8)15(11)18)9-4-13-14(22-7-21-13)5-12(9)23-16/h2-5,10,16,18H,6-7H2,1H3/t10-,16-/m0/s1
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n/an/a 1.03E+4n/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


(Mus musculus)
BDBM50021398
PNG
(CHEBI:18088 | FORMONONETIN | NSC-93360)
Show SMILES COc1ccc(cc1)-c1coc2cc(O)ccc2c1=O
Show InChI InChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-9,17H,1H3
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n/an/a 1.10E+4n/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))
BDBM50535079
PNG
(CHEMBL4520128)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]\[#6](-[#6]-c1c(-[#8])cc(-[#8])c2-[#6](=O)-[#6]-[#6@H](-[#8]-c12)-c1ccc(-[#8])cc1-[#8])=[#6](\[#6])-[#6] |r|
Show InChI InChI=1S/C25H28O6/c1-13(2)5-6-15(14(3)4)9-18-20(28)11-21(29)24-22(30)12-23(31-25(18)24)17-8-7-16(26)10-19(17)27/h5,7-8,10-11,23,26-29H,6,9,12H2,1-4H3/t23-/m0/s1
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n/an/a 1.82E+4n/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
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50535078
PNG
(CHEMBL4446827)
Show SMILES [H][C@@]12COc3c(O)c(OC)ccc3[C@]1([H])Oc1cc3OCOc3cc21 |r|
Show InChI InChI=1S/C17H14O6/c1-19-11-3-2-8-16-10(6-20-17(8)15(11)18)9-4-13-14(22-7-21-13)5-12(9)23-16/h2-5,10,16,18H,6-7H2,1H3/t10-,16-/m0/s1
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n/an/a 2.03E+4n/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
Amine oxidase [flavin-containing] A


(Mus musculus)
BDBM50021398
PNG
(CHEBI:18088 | FORMONONETIN | NSC-93360)
Show SMILES COc1ccc(cc1)-c1coc2cc(O)ccc2c1=O
Show InChI InChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-9,17H,1H3
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n/an/a 2.12E+4n/an/an/an/an/an/a



Sunchon National University

Curated by ChEMBL


Assay Description
Inhibition of mouse MAO-A 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))
BDBM50021398
PNG
(CHEBI:18088 | FORMONONETIN | NSC-93360)
Show SMILES COc1ccc(cc1)-c1coc2cc(O)ccc2c1=O
Show InChI InChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-9,17H,1H3
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n/an/a 2.58E+4n/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))
BDBM50021398
PNG
(CHEBI:18088 | FORMONONETIN | NSC-93360)
Show SMILES COc1ccc(cc1)-c1coc2cc(O)ccc2c1=O
Show InChI InChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-9,17H,1H3
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n/an/a 3.12E+4n/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
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM19460
PNG
((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#8])c2-[#6](=O)-[#6]-[#6@H](-[#8]-c12)-c1ccc(-[#8])cc1 |r|
Show InChI InChI=1S/C20H20O5/c1-11(2)3-8-14-15(22)9-16(23)19-17(24)10-18(25-20(14)19)12-4-6-13(21)7-5-12/h3-7,9,18,21-23H,8,10H2,1-2H3/t18-/m0/s1
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n/an/a 3.88E+4n/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
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM19459
PNG
(5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
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n/an/a 4.00E+4n/an/an/an/an/an/a



Sunchon National University

Curated by ChEMBL


Assay Description
Inhibition of rat brain mitochondrial MAO-A preincubated for 15 mins followed by addition of serotonin as substrate measured after 90 mins


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))
BDBM50535079
PNG
(CHEMBL4520128)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]\[#6](-[#6]-c1c(-[#8])cc(-[#8])c2-[#6](=O)-[#6]-[#6@H](-[#8]-c12)-c1ccc(-[#8])cc1-[#8])=[#6](\[#6])-[#6] |r|
Show InChI InChI=1S/C25H28O6/c1-13(2)5-6-15(14(3)4)9-18-20(28)11-21(29)24-22(30)12-23(31-25(18)24)17-8-7-16(26)10-19(17)27/h5,7-8,10-11,23,26-29H,6,9,12H2,1-4H3/t23-/m0/s1
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n/an/a 5.23E+4n/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))
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 8.58E+4n/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
Amine oxidase [flavin-containing] A/B


(Bos taurus)
BDBM19459
PNG
(5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
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n/an/a 9.50E+4n/an/an/an/an/an/a



Sunchon National University

Curated by ChEMBL


Assay Description
Inhibition of bovine plasma MAO preincubated for 15 mins followed by addition of benzylamine hydrochloride as substrate measured after 30 mins


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))
BDBM50535077
PNG
(CHEMBL4579018)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2-[#8]-[#6@@H](-[#6]-[#6](=O)-c2c1-[#8])-c1ccc(-[#8])cc1-[#8] |r|
Show InChI InChI=1S/C25H28O6/c1-13(2)5-8-17-23(29)18(9-6-14(3)4)25-22(24(17)30)20(28)12-21(31-25)16-10-7-15(26)11-19(16)27/h5-7,10-11,21,26-27,29-30H,8-9,12H2,1-4H3/t21-/m0/s1
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n/an/a>1.00E+5n/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
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM19460
PNG
((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#8])c2-[#6](=O)-[#6]-[#6@H](-[#8]-c12)-c1ccc(-[#8])cc1 |r|
Show InChI InChI=1S/C20H20O5/c1-11(2)3-8-14-15(22)9-16(23)19-17(24)10-18(25-20(14)19)12-4-6-13(21)7-5-12/h3-7,9,18,21-23H,8,10H2,1-2H3/t18-/m0/s1
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n/an/a>1.00E+5n/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))
BDBM50535077
PNG
(CHEMBL4579018)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2-[#8]-[#6@@H](-[#6]-[#6](=O)-c2c1-[#8])-c1ccc(-[#8])cc1-[#8] |r|
Show InChI InChI=1S/C25H28O6/c1-13(2)5-8-17-23(29)18(9-6-14(3)4)25-22(24(17)30)20(28)12-21(31-25)16-10-7-15(26)11-19(16)27/h5-7,10-11,21,26-27,29-30H,8-9,12H2,1-4H3/t21-/m0/s1
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n/an/a>1.00E+5n/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