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Compile Data Set for Download or QSAR

Found 7673 hits of ic50 data for polymerid = 1221,1226,385,50001942,50002008   
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


(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 0.00100n/an/an/an/an/an/a



R.C. Patel Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibition of mouse brain MAO-B


Bioorg Med Chem 21: 2434-50 (2013)


Article DOI: 10.1016/j.bmc.2013.02.017
BindingDB Entry DOI: 10.7270/Q25T3PCS
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 0.00100n/an/an/an/an/an/a



R.C. Patel Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibition of mouse brain MAO-B


Bioorg Med Chem 21: 2434-50 (2013)


Article DOI: 10.1016/j.bmc.2013.02.017
BindingDB Entry DOI: 10.7270/Q25T3PCS
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)


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 |r|
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)


Article DOI: 10.1016/j.bmc.2018.05.042
BindingDB Entry DOI: 10.7270/Q29889HN
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)


BindingDB Entry DOI: 10.7270/Q2WM1CRP
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50568036
PNG
(CHEMBL4861804)
Show SMILES Cc1cccc(CCSc2cccc3C(CCc23)NCC#C)c1
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TBA

Assay Description
Inhibition of human MAO-B


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128051
BindingDB Entry DOI: 10.7270/Q2J67MPQ
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))
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 0.389n/an/an/an/an/an/a



NTZ Lab Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect cells assessed as decrease in H2O2 production using p-tyr...


Eur J Med Chem 179: 404-422 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.041
BindingDB Entry DOI: 10.7270/Q2VT1WFM
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Mus musculus)
BDBM50589703
PNG
(CHEMBL5196906)
Show SMILES Cl.NC\C(=C/F)[C@H]1Cc2ccccc2O1 |r|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128942
BindingDB Entry DOI: 10.7270/Q2639TQ8
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50453019
PNG
(CHEMBL4206812)
Show SMILES Clc1cccc(NC(=O)c2coc3ccccc3c2=O)c1
Show InChI InChI=1S/C16H10ClNO3/c17-10-4-3-5-11(8-10)18-16(20)13-9-21-14-7-2-1-6-12(14)15(13)19/h1-9H,(H,18,20)
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n/an/a 0.400n/an/an/an/an/an/a



University of Porto

Curated by ChEMBL


Assay Description
Inhibition of human microsomal MAO-B expressed in recombinant baculovirus infected insect BTI-TN-5B1-4 cells assessed as reduction in H2O2 production...


J Med Chem 59: 5879-93 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00527
BindingDB Entry DOI: 10.7270/Q2X92FSJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50453019
PNG
(CHEMBL4206812)
Show SMILES Clc1cccc(NC(=O)c2coc3ccccc3c2=O)c1
Show InChI InChI=1S/C16H10ClNO3/c17-10-4-3-5-11(8-10)18-16(20)13-9-21-14-7-2-1-6-12(14)15(13)19/h1-9H,(H,18,20)
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n/an/a 0.407n/an/an/an/an/an/a



University of Porto

Curated by ChEMBL


Assay Description
Inhibition of human microsomal MAO-B expressed in recombinant baculovirus infected insect BTI-TN-5B1-4 cells assessed as reduction in H2O2 production...


J Med Chem 59: 5879-93 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00527
BindingDB Entry DOI: 10.7270/Q2X92FSJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
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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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)


Article DOI: 10.1016/j.bmc.2014.01.046
BindingDB Entry DOI: 10.7270/Q2R78J66
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 0.589n/an/an/an/an/an/a



NTZ Lab Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect cells assessed as decrease in H2O2 production using p-tyr...


Eur J Med Chem 179: 404-422 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.041
BindingDB Entry DOI: 10.7270/Q2VT1WFM
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))
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 0.617n/an/an/an/an/an/a



NTZ Lab Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect cells assessed as decrease in H2O2 production using p-tyr...


Eur J Med Chem 179: 404-422 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.041
BindingDB Entry DOI: 10.7270/Q2VT1WFM
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))
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 0.661n/an/an/an/an/an/a



NTZ Lab Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect cells assessed as decrease in H2O2 production using p-tyr...


Eur J Med Chem 179: 404-422 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.041
BindingDB Entry DOI: 10.7270/Q2VT1WFM
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))
BDBM50453020
PNG
(CHEMBL4209203)
Show SMILES Cc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1C
Show InChI InChI=1S/C18H15NO3/c1-11-7-8-13(9-12(11)2)19-18(21)15-10-22-16-6-4-3-5-14(16)17(15)20/h3-10H,1-2H3,(H,19,21)
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n/an/a 0.670n/an/an/an/an/an/a



University of Porto

Curated by ChEMBL


Assay Description
Inhibition of human microsomal MAO-B expressed in recombinant baculovirus infected insect BTI-TN-5B1-4 cells assessed as reduction in H2O2 production...


J Med Chem 59: 5879-93 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00527
BindingDB Entry DOI: 10.7270/Q2X92FSJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 0.676n/an/an/an/an/an/a



NTZ Lab Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect cells assessed as decrease in H2O2 production using p-tyr...


Eur J Med Chem 179: 404-422 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.041
BindingDB Entry DOI: 10.7270/Q2VT1WFM
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50453020
PNG
(CHEMBL4209203)
Show SMILES Cc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1C
Show InChI InChI=1S/C18H15NO3/c1-11-7-8-13(9-12(11)2)19-18(21)15-10-22-16-6-4-3-5-14(16)17(15)20/h3-10H,1-2H3,(H,19,21)
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n/an/a 0.676n/an/an/an/an/an/a



University of Porto

Curated by ChEMBL


Assay Description
Inhibition of human microsomal MAO-B expressed in recombinant baculovirus infected insect BTI-TN-5B1-4 cells assessed as reduction in H2O2 production...


J Med Chem 59: 5879-93 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00527
BindingDB Entry DOI: 10.7270/Q2X92FSJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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))
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))
BDBM50605031
PNG
(CHEMBL5174789)
Show SMILES COC1CCN(CC1)c1nc2ccccc2c2n(Cc3cccc(OC)c3)ccc12
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n/an/a 0.700n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114329
BindingDB Entry DOI: 10.7270/Q2RF6040
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)


Article DOI: 10.1016/j.bmc.2014.01.046
BindingDB Entry DOI: 10.7270/Q2R78J66
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)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50605030
PNG
(CHEMBL5209131)
Show SMILES COC1CCN(CC1)c1nc2ccccc2c2n(Cc3cccc(Cl)c3)ccc12
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n/an/a 0.800n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114329
BindingDB Entry DOI: 10.7270/Q2RF6040
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))
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)


Article DOI: 10.1016/j.bmc.2014.01.046
BindingDB Entry DOI: 10.7270/Q2R78J66
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))
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)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
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))
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



NTZ Lab Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect cells assessed as decrease in H2O2 production using p-tyr...


Eur J Med Chem 179: 404-422 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.041
BindingDB Entry DOI: 10.7270/Q2VT1WFM
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50535909
PNG
(CHEMBL4591558)
Show SMILES Brc1ccccc1NC(=O)c1coc2ccccc2c1=O
Show InChI InChI=1S/C16H10BrNO3/c17-12-6-2-3-7-13(12)18-16(20)11-9-21-14-8-4-1-5-10(14)15(11)19/h1-9H,(H,18,20)
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University of Porto

Curated by ChEMBL


Assay Description
Inhibition of human microsomal MAO-B expressed in recombinant baculovirus infected insect BTI-TN-5B1-4 cells assessed as reduction in H2O2 production...


J Med Chem 59: 5879-93 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00527
BindingDB Entry DOI: 10.7270/Q2X92FSJ
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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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))
BDBM50535909
PNG
(CHEMBL4591558)
Show SMILES Brc1ccccc1NC(=O)c1coc2ccccc2c1=O
Show InChI InChI=1S/C16H10BrNO3/c17-12-6-2-3-7-13(12)18-16(20)11-9-21-14-8-4-1-5-10(14)15(11)19/h1-9H,(H,18,20)
PDB

UniProtKB/SwissProt

antibodypedia
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PC sid
UniChem
Article
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n/an/a 1n/an/an/an/an/an/a



University of Porto

Curated by ChEMBL


Assay Description
Inhibition of human microsomal MAO-B expressed in recombinant baculovirus infected insect BTI-TN-5B1-4 cells assessed as reduction in H2O2 production...


J Med Chem 59: 5879-93 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00527
BindingDB Entry DOI: 10.7270/Q2X92FSJ
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
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