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Compile Data Set for Download or QSAR

Found 3428 hits of ic50 data for polymerid = 385   
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))
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))
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
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
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
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



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
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))
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))
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))
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))
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))
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))
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))
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))
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
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)

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 15782

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))
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))
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))
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))
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))
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
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50282514
PNG
(3,4-dimethyl-7-(4-methyl-benzyloxy)-chromen-2-one ...)
Show SMILES Cc1ccc(COc2ccc3c(C)c(C)c(=O)oc3c2)cc1
Show InChI InChI=1S/C19H18O3/c1-12-4-6-15(7-5-12)11-21-16-8-9-17-13(2)14(3)19(20)22-18(17)10-16/h4-10H,11H2,1-3H3
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n/an/a 1.38n/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
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM29171
PNG
(3-carboxamido coumarin, 21)
Show SMILES CS(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1
Show InChI InChI=1S/C17H13NO5S/c1-24(21,22)13-8-6-12(7-9-13)18-16(19)14-10-11-4-2-3-5-15(11)23-17(14)20/h2-10H,1H3,(H,18,19)
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n/an/a 1.40n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza



Assay Description
The effects of the test compounds on hMAO isoform enzymatic activity were evaluated by measuring their effects on the production of hydrogen peroxide...


J Med Chem 52: 1935-42 (2009)


Article DOI: 10.1021/jm801496u
BindingDB Entry DOI: 10.7270/Q2SF2THN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50046865
PNG
(CHEMBL3319257)
Show SMILES Cn1cc2cc(ccc2n1)C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H11Cl2N3O/c1-20-8-10-6-9(2-5-14(10)19-20)15(21)18-11-3-4-12(16)13(17)7-11/h2-8H,1H3,(H,18,21)
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n/an/a 1.40n/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))
BDBM50046865
PNG
(CHEMBL3319257)
Show SMILES Cn1cc2cc(ccc2n1)C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H11Cl2N3O/c1-20-8-10-6-9(2-5-14(10)19-20)15(21)18-11-3-4-12(16)13(17)7-11/h2-8H,1H3,(H,18,21)
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n/an/a 1.40n/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
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50409111
PNG
(CHEMBL356714)
Show SMILES Cc1c(C)c(=O)oc2cc(OCc3cccc(c3)C#N)ccc12
Show InChI InChI=1S/C19H15NO3/c1-12-13(2)19(21)23-18-9-16(6-7-17(12)18)22-11-15-5-3-4-14(8-15)10-20/h3-9H,11H2,1-2H3
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n/an/a 1.41n/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))
BDBM50282510
PNG
(7-(4-Chloro-benzyloxy)-3,4-dimethyl-chromen-2-one ...)
Show SMILES Cc1c(C)c(=O)oc2cc(OCc3ccc(Cl)cc3)ccc12
Show InChI InChI=1S/C18H15ClO3/c1-11-12(2)18(20)22-17-9-15(7-8-16(11)17)21-10-13-3-5-14(19)6-4-13/h3-9H,10H2,1-2H3
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n/an/a 1.48n/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))
BDBM50246306
PNG
(3,4-Benzo-7-(beta-bromoallyloxy)-8-methylcoumarin ...)
Show SMILES Cc1c(OCC(Br)=C)ccc2c3ccccc3c(=O)oc12
Show InChI InChI=1S/C17H13BrO3/c1-10(18)9-20-15-8-7-13-12-5-3-4-6-14(12)17(19)21-16(13)11(15)2/h3-8H,1,9H2,2H3
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n/an/a 1.49n/an/an/an/an/an/a



University of Santiago de Compostela 15782

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))
BDBM50232427
PNG
(CHEMBL4070309)
Show SMILES Cn1ncc2cc(ccc12)C(=O)Nc1ccc(F)c(F)c1
Show InChI InChI=1S/C15H11F2N3O/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 1.5n/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
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50355320
PNG
(CHEMBL1835224)
Show SMILES COc1ccc2oc(=O)c(cc2c1)-c1ccc(C)cc1
Show InChI InChI=1S/C17H14O3/c1-11-3-5-12(6-4-11)15-10-13-9-14(19-2)7-8-16(13)20-17(15)18/h3-10H,1-2H3
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n/an/a 1.52n/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))
BDBM50282502
PNG
(7-(4-Fluoro-benzyloxy)-3,4-dimethyl-chromen-2-one ...)
Show SMILES Cc1c(C)c(=O)oc2cc(OCc3ccc(F)cc3)ccc12
Show InChI InChI=1S/C18H15FO3/c1-11-12(2)18(20)22-17-9-15(7-8-16(11)17)21-10-13-3-5-14(19)6-4-13/h3-9H,10H2,1-2H3
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n/an/a 1.55n/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))
BDBM76662
PNG
(4-methyl-7-phenylmethoxy-1-benzopyran-2-one | 4-me...)
Show SMILES Cc1cc(=O)oc2cc(OCc3ccccc3)ccc12
Show InChI InChI=1S/C17H14O3/c1-12-9-17(18)20-16-10-14(7-8-15(12)16)19-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
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n/an/a 1.58n/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))
BDBM50046877
PNG
(CHEMBL3319248)
Show SMILES Fc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1F
Show InChI InChI=1S/C14H9F2N3O/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 1.60n/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
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