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Compile Data Set for Download or QSAR

Found 4819 hits of ic50 for UniProtKB: P27338   
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))
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 0.00820n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B (unknown origin)


Eur J Med Chem 138: 715-728 (2017)

More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50121688
PNG
(3-Methyl-8-(4,4,4-trifluoro-butoxy)-indeno[1,2-c]p...)
Show SMILES Cc1cc2C(=O)c3ccc(OCCCC(F)(F)F)cc3-c2nn1
Show InChI InChI=1S/C16H13F3N2O2/c1-9-7-13-14(21-20-9)12-8-10(3-4-11(12)15(13)22)23-6-2-5-16(17,18)19/h3-4,7-8H,2,5-6H2,1H3
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n/an/a 0.0140n/an/an/an/an/an/a



Facultés Universitaires Notre-Dame de la Paix

Curated by ChEMBL


Assay Description
Inhibitory concentration against Monoamine oxidase B was measured in baboon liver.


Bioorg Med Chem Lett 13: 69-73 (2002)


Article DOI: 10.1016/s0960-894x(02)00838-7
BindingDB Entry DOI: 10.7270/Q2WM1CRP
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM15579
PNG
(CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...)
Show SMILES C[C@H](Cc1ccccc1)N(C)CC#C
Show InChI InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1
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n/an/a 0.0170n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of human monoamine oxidase B


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50131081
PNG
(4-oxo-4H-chromene-3-carboxylic acid | CHEMBL315361)
Show SMILES OC(=O)c1coc2ccccc2c1=O
Show InChI InChI=1S/C10H6O4/c11-9-6-3-1-2-4-8(6)14-5-7(9)10(12)13/h1-5H,(H,12,13)
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n/an/a 0.0480n/an/an/an/an/an/a



Universidade do Porto

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus-infected BTI insect cells after 15 mins by fluorimetric assay


Bioorg Med Chem Lett 21: 707-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.128
BindingDB Entry DOI: 10.7270/Q2ZW1M6S
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50276359
PNG
(CHEMBL4129303)
Show SMILES Cc1ccc2oc(=O)c(cc2c1)-c1cccc(Br)c1
Show InChI InChI=1S/C16H11BrO2/c1-10-5-6-15-12(7-10)9-14(16(18)19-15)11-3-2-4-13(17)8-11/h2-9H,1H3
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n/an/a 0.134n/an/an/an/an/an/a



Abbottabad University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human MAO-B using p-tyramine as substrate after 15 mins by amplex red reagent based assay


Bioorg Med Chem 26: 3731-3762 (2018)

More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50046943
PNG
(CHEMBL3319268)
Show SMILES Clc1ccc(NC(=O)c2ccc3[nH]ccc3c2)cc1Cl
Show InChI InChI=1S/C15H10Cl2N2O/c16-12-3-2-11(8-13(12)17)19-15(20)10-1-4-14-9(7-10)5-6-18-14/h1-8,18H,(H,19,20)
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n/an/a 0.227n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50355323
PNG
(CHEMBL1835228)
Show SMILES Cc1ccc(cc1)-c1cc2cc(C)ccc2oc1=O
Show InChI InChI=1S/C17H14O2/c1-11-3-6-13(7-4-11)15-10-14-9-12(2)5-8-16(14)19-17(15)18/h3-10H,1-2H3
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n/an/a 0.310n/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in insect BT1-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-tyramine up to 15 min...


J Med Chem 54: 7127-37 (2011)


Article DOI: 10.1021/jm200716y
BindingDB Entry DOI: 10.7270/Q2V40VKQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50121685
PNG
(5-(4,4,4-Trifluoro-butoxy)-indan-1-one | CHEMBL414...)
Show SMILES FC(F)(F)CCCOc1ccc2C(=O)CCc2c1
Show InChI InChI=1S/C13H13F3O2/c14-13(15,16)6-1-7-18-10-3-4-11-9(8-10)2-5-12(11)17/h3-4,8H,1-2,5-7H2
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n/an/a 0.318n/an/an/an/an/an/a



Facultés Universitaires Notre-Dame de la Paix

Curated by ChEMBL


Assay Description
Inhibitory concentration against Monoamine oxidase B was measured


Bioorg Med Chem Lett 13: 69-73 (2002)


Article DOI: 10.1016/s0960-894x(02)00838-7
BindingDB Entry DOI: 10.7270/Q2WM1CRP
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50046866
PNG
(CHEMBL3319256)
Show SMILES Cn1ncc2cc(ccc12)C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H11Cl2N3O/c1-20-14-5-2-9(6-10(14)8-18-20)15(21)19-11-3-4-12(16)13(17)7-11/h2-8H,1H3,(H,19,21)
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n/an/a 0.386n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50046866
PNG
(CHEMBL3319256)
Show SMILES Cn1ncc2cc(ccc12)C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H11Cl2N3O/c1-20-14-5-2-9(6-10(14)8-18-20)15(21)19-11-3-4-12(16)13(17)7-11/h2-8H,1H3,(H,19,21)
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n/an/a 0.386n/an/an/an/an/an/a



NTZ Lab Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB expressed in baculovirus-infected BTI insect cells using p-tyramine as substrate measured for 45 mins in presenc...


Eur J Med Chem 127: 470-492 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.011
BindingDB Entry DOI: 10.7270/Q2GH9M6P
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50259594
PNG
(CHEMBL4068321)
Show SMILES Brc1ccc(COc2ccc3ccc(=O)oc3c2)cc1
Show InChI InChI=1S/C16H11BrO3/c17-13-5-1-11(2-6-13)10-19-14-7-3-12-4-8-16(18)20-15(12)9-14/h1-9H,10H2
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n/an/a 0.5n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTPcS binding against recombinant human opioid receptor mu 1


Eur J Med Chem 125: 853-864 (2017)

More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50046950
PNG
(CHEMBL3319244)
Show SMILES Clc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1Cl
Show InChI InChI=1S/C14H9Cl2N3O/c15-11-3-2-10(6-12(11)16)18-14(20)8-1-4-13-9(5-8)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
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n/an/a 0.586n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50046950
PNG
(CHEMBL3319244)
Show SMILES Clc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1Cl
Show InChI InChI=1S/C14H9Cl2N3O/c15-11-3-2-10(6-12(11)16)18-14(20)8-1-4-13-9(5-8)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
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n/an/a 0.586n/an/an/an/an/an/a



NTZ Lab Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB expressed in baculovirus-infected BTI insect cells using p-tyramine as substrate measured for 45 mins in presenc...


Eur J Med Chem 127: 470-492 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.011
BindingDB Entry DOI: 10.7270/Q2GH9M6P
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50496171
PNG
(CHEMBL3121793)
Show SMILES COC(=O)c1cc2ccc(OCc3cccc(F)c3)cc2oc1=O
Show InChI InChI=1S/C18H13FO5/c1-22-17(20)15-8-12-5-6-14(9-16(12)24-18(15)21)23-10-11-3-2-4-13(19)7-11/h2-9H,10H2,1H3
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n/an/a 0.588n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected insect cells assessed as hydrogen peroxide production using p-tyramine as sub...


Bioorg Med Chem 22: 1916-28 (2014)

More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50046948
PNG
(CHEMBL3319272)
Show SMILES Clc1ccc(cc1Cl)\N=C\c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C14H9Cl2N3/c15-12-3-2-11(6-13(12)16)17-7-9-1-4-14-10(5-9)8-18-19-14/h1-8H,(H,18,19)/b17-7+
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n/an/a 0.612n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50334292
PNG
(5-(4-Phenylbutyl)isatin | CHEMBL1642678)
Show SMILES O=C1Nc2ccc(CCCCc3ccccc3)cc2C1=O
Show InChI InChI=1S/C18H17NO2/c20-17-15-12-14(10-11-16(15)19-18(17)21)9-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,10-12H,4-5,8-9H2,(H,19,20,21)
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n/an/a 0.660n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in insect cells by fluorescence assay


Bioorg Med Chem 19: 261-74 (2011)


Article DOI: 10.1016/j.bmc.2010.11.028
BindingDB Entry DOI: 10.7270/Q2DR2VSB
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50232425
PNG
(CHEMBL4061639)
Show SMILES Cn1ncc2cc(ccc12)C(=O)Nc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C15H11ClFN3O/c1-20-14-5-2-9(6-10(14)8-18-20)15(21)19-11-3-4-13(17)12(16)7-11/h2-8H,1H3,(H,19,21)
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n/an/a 0.662n/an/an/an/an/an/a



NTZ Lab Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB expressed in baculovirus-infected BTI insect cells using p-tyramine as substrate measured for 45 mins in presenc...


Eur J Med Chem 127: 470-492 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.011
BindingDB Entry DOI: 10.7270/Q2GH9M6P
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50046878
PNG
(CHEMBL3319247)
Show SMILES Fc1cc(NC(=O)c2ccc3[nH]ncc3c2)ccc1Cl
Show InChI InChI=1S/C14H9ClFN3O/c15-11-3-2-10(6-12(11)16)18-14(20)8-1-4-13-9(5-8)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
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n/an/a 0.668n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50046879
PNG
(CHEMBL3317469)
Show SMILES Fc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1Cl
Show InChI InChI=1S/C14H9ClFN3O/c15-11-6-10(2-3-12(11)16)18-14(20)8-1-4-13-9(5-8)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
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n/an/a 0.679n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50046879
PNG
(CHEMBL3317469)
Show SMILES Fc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1Cl
Show InChI InChI=1S/C14H9ClFN3O/c15-11-6-10(2-3-12(11)16)18-14(20)8-1-4-13-9(5-8)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
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n/an/a 0.679n/an/an/an/an/an/a



NTZ Lab Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB expressed in baculovirus-infected BTI insect cells using p-tyramine as substrate measured for 45 mins in presenc...


Eur J Med Chem 127: 470-492 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.011
BindingDB Entry DOI: 10.7270/Q2GH9M6P
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50355325
PNG
(CHEMBL1835231)
Show SMILES COc1ccc(cc1Br)-c1cc2cc(C)ccc2oc1=O
Show InChI InChI=1S/C17H13BrO3/c1-10-3-5-15-12(7-10)8-13(17(19)21-15)11-4-6-16(20-2)14(18)9-11/h3-9H,1-2H3
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n/an/a 0.740n/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in insect BT1-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-tyramine up to 15 min...


J Med Chem 54: 7127-37 (2011)


Article DOI: 10.1021/jm200716y
BindingDB Entry DOI: 10.7270/Q2V40VKQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50496181
PNG
(CHEMBL3121791)
Show SMILES Cc1cc(=O)oc2cc(OCCCCC#C)ccc12
Show InChI InChI=1S/C16H16O3/c1-3-4-5-6-9-18-13-7-8-14-12(2)10-16(17)19-15(14)11-13/h1,7-8,10-11H,4-6,9H2,2H3
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n/an/a 0.770n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected insect cells assessed as hydrogen peroxide production using p-tyramine as sub...


Bioorg Med Chem 22: 1916-28 (2014)

More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50300895
PNG
(3-(3-methoxyphenyl)-6-methyl-2H-chromen-2-one | CH...)
Show SMILES COc1cccc(c1)-c1cc2cc(C)ccc2oc1=O
Show InChI InChI=1S/C17H14O3/c1-11-6-7-16-13(8-11)10-15(17(18)20-16)12-4-3-5-14(9-12)19-2/h3-10H,1-2H3
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n/an/a 0.800n/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in insect BT1-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-tyramine up to 15 min...


J Med Chem 54: 7127-37 (2011)


Article DOI: 10.1021/jm200716y
BindingDB Entry DOI: 10.7270/Q2V40VKQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50259630
PNG
(CHEMBL4079843)
Show SMILES Cc1c(Cl)c(=O)oc2cc(OCc3ccc(Br)cc3)ccc12
Show InChI InChI=1S/C17H12BrClO3/c1-10-14-7-6-13(8-15(14)22-17(20)16(10)19)21-9-11-2-4-12(18)5-3-11/h2-8H,9H2,1H3
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n/an/a 0.800n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B assessed as reduction in 4-hydroxyquinolone production using kynuramine as substrate after 20 mins by fluoresce...


Eur J Med Chem 125: 853-864 (2017)

More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50300895
PNG
(3-(3-methoxyphenyl)-6-methyl-2H-chromen-2-one | CH...)
Show SMILES COc1cccc(c1)-c1cc2cc(C)ccc2oc1=O
Show InChI InChI=1S/C17H14O3/c1-11-6-7-16-13(8-11)10-15(17(18)20-16)12-4-3-5-14(9-12)19-2/h3-10H,1-2H3
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n/an/a 0.803n/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in BTI cells


Bioorg Med Chem Lett 19: 5053-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.039
BindingDB Entry DOI: 10.7270/Q24T6JG9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50496179
PNG
(CHEMBL3121865)
Show SMILES CCCCCCOc1ccc2cc(C(=O)OC)c(=O)oc2c1
Show InChI InChI=1S/C17H20O5/c1-3-4-5-6-9-21-13-8-7-12-10-14(16(18)20-2)17(19)22-15(12)11-13/h7-8,10-11H,3-6,9H2,1-2H3
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n/an/a 0.875n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected insect cells assessed as hydrogen peroxide production using p-tyramine as sub...


Bioorg Med Chem 22: 1916-28 (2014)

More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM166634
PNG
(7-[(4-Fluorobenzyl)oxy]-3,4-dihydronaphthalen-1(2H...)
Show SMILES Fc1ccc(COc2ccc3CCCC(=O)c3c2)cc1
Show InChI InChI=1S/C17H15FO2/c18-14-7-4-12(5-8-14)11-20-15-9-6-13-2-1-3-17(19)16(13)10-15/h4-10H,1-3,11H2
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n/an/a 0.890n/an/an/an/an/an/a



North-West University



Assay Description
IC50 values for the inhibition of MAO-A and MAO-B were determined using the recombinant human enzymes as enzyme sources, and kynuramine as non-select...


Chem Biol Drug Des 86: 895-904 (2015)


Article DOI: 10.1111/cbdd.12508
BindingDB Entry DOI: 10.7270/Q29S1PS9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50259595
PNG
(CHEMBL4097867)
Show SMILES Cc1cc(=O)oc2cc(OCc3ccc(Br)cc3)ccc12
Show InChI InChI=1S/C17H13BrO3/c1-11-8-17(19)21-16-9-14(6-7-15(11)16)20-10-12-2-4-13(18)5-3-12/h2-9H,10H2,1H3
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n/an/a 0.900n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B assessed as reduction in 4-hydroxyquinolone production using kynuramine as substrate after 20 mins by fluoresce...


Eur J Med Chem 125: 853-864 (2017)

More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50282506
PNG
(7-(5-Isopropyl-[1,3,4]thiadiazol-2-ylmethoxy)-3,4-...)
Show SMILES CC(C)c1nnc(COc2ccc3c(C)c(C)c(=O)oc3c2)s1
Show InChI InChI=1S/C17H18N2O3S/c1-9(2)16-19-18-15(23-16)8-21-12-5-6-13-10(3)11(4)17(20)22-14(13)7-12/h5-7,9H,8H2,1-4H3
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n/an/a 0.900n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B (unknown origin)


Eur J Med Chem 95: 153-65 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.040
BindingDB Entry DOI: 10.7270/Q20R9R4H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50409101
PNG
(CHEMBL142799)
Show SMILES O=c1oc2cc(OCc3ccccc3)ccc2c2CCCc12
Show InChI InChI=1S/C19H16O3/c20-19-17-8-4-7-15(17)16-10-9-14(11-18(16)22-19)21-12-13-5-2-1-3-6-13/h1-3,5-6,9-11H,4,7-8,12H2
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n/an/a 0.912n/an/an/an/an/an/a



University of Geneva

Curated by ChEMBL


Assay Description
Inhibition of human supersomes MAOB


J Med Chem 49: 6264-72 (2006)


Article DOI: 10.1021/jm060441e
BindingDB Entry DOI: 10.7270/Q2X63P5Q
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50409097
PNG
(CHEMBL108697)
Show SMILES Cc1c(C)c(=O)oc2cc(OCc3cccc(F)c3)ccc12
Show InChI InChI=1S/C18H15FO3/c1-11-12(2)18(20)22-17-9-15(6-7-16(11)17)21-10-13-4-3-5-14(19)8-13/h3-9H,10H2,1-2H3
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n/an/a 0.912n/an/an/an/an/an/a



University of Geneva

Curated by ChEMBL


Assay Description
Inhibition of human supersomes MAOB


J Med Chem 49: 6264-72 (2006)


Article DOI: 10.1021/jm060441e
BindingDB Entry DOI: 10.7270/Q2X63P5Q
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM36478
PNG
(6-Oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl benz...)
Show SMILES O=C(Oc1ccc2c3CCCCc3c(=O)oc2c1)c1ccccc1
Show InChI InChI=1S/C20H16O4/c21-19(13-6-2-1-3-7-13)23-14-10-11-16-15-8-4-5-9-17(15)20(22)24-18(16)12-14/h1-3,6-7,10-12H,4-5,8-9H2
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n/an/a 1n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Momoamine oxidase type B(MAO-B) activity in vitro assay using molecules that caused a photomotor response (PMR) "magnitude stimulant' (MAG) pheno...


Nat Chem Biol 6: 231-237 (2010)


Article DOI: 10.1038/nchembio.307
BindingDB Entry DOI: 10.7270/Q2GX48X6
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50046949
PNG
(CHEMBL3319273)
Show SMILES Cn1ncc2cc(\C=N\c3ccc(Cl)c(Cl)c3)ccc12
Show InChI InChI=1S/C15H11Cl2N3/c1-20-15-5-2-10(6-11(15)9-19-20)8-18-12-3-4-13(16)14(17)7-12/h2-9H,1H3/b18-8+
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n/an/a 1n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50409081
PNG
(CHEMBL111309)
Show SMILES Cc1c(C)c(=O)oc2cc(OCc3ccccc3)ccc12
Show InChI InChI=1S/C18H16O3/c1-12-13(2)18(19)21-17-10-15(8-9-16(12)17)20-11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3
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n/an/a 1.07n/an/an/an/an/an/a



University of Geneva

Curated by ChEMBL


Assay Description
Inhibition of human supersomes MAOB


J Med Chem 49: 6264-72 (2006)


Article DOI: 10.1021/jm060441e
BindingDB Entry DOI: 10.7270/Q2X63P5Q
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50232429
PNG
(CHEMBL4104691)
Show SMILES COCCn1ncc2cc(ccc12)C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H15Cl2N3O2/c1-24-7-6-22-16-5-2-11(8-12(16)10-20-22)17(23)21-13-3-4-14(18)15(19)9-13/h2-5,8-10H,6-7H2,1H3,(H,21,23)
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n/an/a 1.10n/an/an/an/an/an/a



NTZ Lab Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB expressed in baculovirus-infected BTI insect cells using p-tyramine as substrate measured for 45 mins in presenc...


Eur J Med Chem 127: 470-492 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.011
BindingDB Entry DOI: 10.7270/Q2GH9M6P
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50409078
PNG
(CHEMBL325761)
Show SMILES Cc1c(C)c(=O)oc2cc(OCc3ccc(F)c(F)c3)ccc12
Show InChI InChI=1S/C18H14F2O3/c1-10-11(2)18(21)23-17-8-13(4-5-14(10)17)22-9-12-3-6-15(19)16(20)7-12/h3-8H,9H2,1-2H3
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n/an/a 1.10n/an/an/an/an/an/a



R.C. Patel Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibition of MAO-B (unknown origin)


Bioorg Med Chem 21: 2434-50 (2013)

More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50409099
PNG
(CHEMBL356977)
Show SMILES Cc1c(C)c(=O)oc2cc(OCc3cccc(c3)[N+]([O-])=O)ccc12
Show InChI InChI=1S/C18H15NO5/c1-11-12(2)18(20)24-17-9-15(6-7-16(11)17)23-10-13-4-3-5-14(8-13)19(21)22/h3-9H,10H2,1-2H3
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n/an/a 1.10n/an/an/an/an/an/a



University of Geneva

Curated by ChEMBL


Assay Description
Inhibition of human supersomes MAOB


J Med Chem 49: 6264-72 (2006)


Article DOI: 10.1021/jm060441e
BindingDB Entry DOI: 10.7270/Q2X63P5Q
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50409083
PNG
(CHEMBL145292)
Show SMILES O=c1oc2cc(OCc3ccccc3)ccc2c2ccccc12
Show InChI InChI=1S/C20H14O3/c21-20-18-9-5-4-8-16(18)17-11-10-15(12-19(17)23-20)22-13-14-6-2-1-3-7-14/h1-12H,13H2
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n/an/a 1.12n/an/an/an/an/an/a



University of Geneva

Curated by ChEMBL


Assay Description
Inhibition of human supersomes MAOB


J Med Chem 49: 6264-72 (2006)


Article DOI: 10.1021/jm060441e
BindingDB Entry DOI: 10.7270/Q2X63P5Q
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50409090
PNG
(CHEMBL142582)
Show SMILES Cc1c(C)c(=O)oc2cc(OCc3ccc(cc3)[N+]([O-])=O)ccc12
Show InChI InChI=1S/C18H15NO5/c1-11-12(2)18(20)24-17-9-15(7-8-16(11)17)23-10-13-3-5-14(6-4-13)19(21)22/h3-9H,10H2,1-2H3
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n/an/a 1.12n/an/an/an/an/an/a



University of Geneva

Curated by ChEMBL


Assay Description
Inhibition of human supersomes MAOB


J Med Chem 49: 6264-72 (2006)


Article DOI: 10.1021/jm060441e
BindingDB Entry DOI: 10.7270/Q2X63P5Q
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM335724
PNG
(US9738640, Example 1)
Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1ccc2nccc2n1
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n/an/a 1.13n/an/an/an/an/an/a



NTZ Lab Ltd

US Patent


Assay Description
Recombinant human MAO-B enzyme, expressed in baculovirus-infected insect cells, was purchased from Sigma-Aldrich (M7441). The assay was performed as ...


US Patent US9738640 (2017)


Article DOI: 10.1021/jo802139s
BindingDB Entry DOI: 10.7270/Q2QR507R
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50246267
PNG
(7-(beta-Bromoallyloxy)-3,4-cyclopentene-8-methylco...)
Show SMILES Cc1c(OCC(Br)=C)ccc2c3CCCc3c(=O)oc12
Show InChI InChI=1S/C16H15BrO3/c1-9(17)8-19-14-7-6-12-11-4-3-5-13(11)16(18)20-15(12)10(14)2/h6-7H,1,3-5,8H2,2H3
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n/an/a 1.18n/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB by fluorimetric method


J Med Chem 51: 6740-51 (2008)


Article DOI: 10.1021/jm800656v
BindingDB Entry DOI: 10.7270/Q2NV9J3H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM166642
PNG
(7-[(4-Cyanobenzyl)oxy]-3,4-dihydronaphthalen-1(2H)...)
Show SMILES O=C1CCCc2ccc(OCc3ccc(cc3)C#N)cc12
Show InChI InChI=1S/C18H15NO2/c19-11-13-4-6-14(7-5-13)12-21-16-9-8-15-2-1-3-18(20)17(15)10-16/h4-10H,1-3,12H2
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n/an/a 1.20n/an/an/an/an/an/a



North-West University



Assay Description
IC50 values for the inhibition of MAO-A and MAO-B were determined using the recombinant human enzymes as enzyme sources, and kynuramine as non-select...


Chem Biol Drug Des 86: 895-904 (2015)


Article DOI: 10.1111/cbdd.12508
BindingDB Entry DOI: 10.7270/Q29S1PS9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50409091
PNG
(CHEMBL109085)
Show SMILES Cc1cccc(COc2ccc3c(C)c(C)c(=O)oc3c2)c1
Show InChI InChI=1S/C19H18O3/c1-12-5-4-6-15(9-12)11-21-16-7-8-17-13(2)14(3)19(20)22-18(17)10-16/h4-10H,11H2,1-3H3
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n/an/a 1.20n/an/an/an/an/an/a



University of Geneva

Curated by ChEMBL


Assay Description
Inhibition of human supersomes MAOB


J Med Chem 49: 6264-72 (2006)


Article DOI: 10.1021/jm060441e
BindingDB Entry DOI: 10.7270/Q2X63P5Q
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50259597
PNG
(CHEMBL4105601)
Show SMILES Cc1c(C#N)c(=O)oc2cc(OCc3ccc(Br)cc3)ccc12
Show InChI InChI=1S/C18H12BrNO3/c1-11-15-7-6-14(8-17(15)23-18(21)16(11)9-20)22-10-12-2-4-13(19)5-3-12/h2-8H,10H2,1H3
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n/an/a 1.30n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Binding affinity against cathepsin B


Eur J Med Chem 125: 853-864 (2017)

More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM15579
PNG
(CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...)
Show SMILES C[C@H](Cc1ccccc1)N(C)CC#C
Show InChI InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in insect cells by Amplex Red assay


Bioorg Med Chem 21: 7890-7 (2013)

More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM15579
PNG
(CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...)
Show SMILES C[C@H](Cc1ccccc1)N(C)CC#C
Show InChI InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant MAO-B using benzylamine hydrochloride as substrate assessed as H2O2 synthesis after 1 hr by fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM166633
PNG
(7-[(3-Fluorobenzyl)oxy]-3,4-dihydronaphthalen-1(2H...)
Show SMILES Fc1cccc(COc2ccc3CCCC(=O)c3c2)c1
Show InChI InChI=1S/C17H15FO2/c18-14-5-1-3-12(9-14)11-20-15-8-7-13-4-2-6-17(19)16(13)10-15/h1,3,5,7-10H,2,4,6,11H2
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n/an/a 1.30n/an/an/an/an/an/a



North-West University



Assay Description
IC50 values for the inhibition of MAO-A and MAO-B were determined using the recombinant human enzymes as enzyme sources, and kynuramine as non-select...


Chem Biol Drug Des 86: 895-904 (2015)


Article DOI: 10.1111/cbdd.12508
BindingDB Entry DOI: 10.7270/Q29S1PS9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50199097
PNG
(CHEMBL3911291)
Show SMILES CC(=O)c1ccc(OCc2cccc(Cl)c2)cc1O
Show InChI InChI=1S/C15H13ClO3/c1-10(17)14-6-5-13(8-15(14)18)19-9-11-3-2-4-12(16)7-11/h2-8,18H,9H2,1H3
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n/an/a 1.30n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using kynuramine as substrate assessed as decrease in 4-hydroxyquinoline production incubated for 20 mins by fl...


Bioorg Med Chem 24: 5929-5940 (2016)


Article DOI: 10.1016/j.bmc.2016.09.050
BindingDB Entry DOI: 10.7270/Q2FN1854
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50344058
PNG
(6-Bromo-8-methoxy-3-(4'-methoxyphenyl)coumarin | C...)
Show SMILES COc1ccc(cc1)-c1cc2cc(Br)cc(OC)c2oc1=O
Show InChI InChI=1S/C17H13BrO4/c1-20-13-5-3-10(4-6-13)14-8-11-7-12(18)9-15(21-2)16(11)22-17(14)19/h3-9H,1-2H3
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n/an/a 1.35n/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B using p-tyramine substrate by flurometric method


Bioorg Med Chem Lett 21: 4224-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.074
BindingDB Entry DOI: 10.7270/Q27H1JX2
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50409086
PNG
(CHEMBL348922)
Show SMILES Cc1c(C)c(=O)oc2cc(NCc3ccccc3)ccc12
Show InChI InChI=1S/C18H17NO2/c1-12-13(2)18(20)21-17-10-15(8-9-16(12)17)19-11-14-6-4-3-5-7-14/h3-10,19H,11H2,1-2H3
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n/an/a 1.38n/an/an/an/an/an/a



University of Geneva

Curated by ChEMBL


Assay Description
Inhibition of human supersomes MAOB


J Med Chem 49: 6264-72 (2006)


Article DOI: 10.1021/jm060441e
BindingDB Entry DOI: 10.7270/Q2X63P5Q
More data for this
Ligand-Target Pair
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