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Compile Data Set for Download or QSAR

Found 440 hits with Last Name = 'bergh' and Initial = 'jj'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
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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0.280n/an/an/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
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50264626
PNG
((E,E)-1,3-Diethyl-8-(4-phenylbutadien-1-yl)-7-meth...)
Show SMILES CCn1c2nc(\C=C\C=C\c3ccccc3)n(C)c2c(=O)n(CC)c1=O
Show InChI InChI=1S/C20H22N4O2/c1-4-23-18-17(19(25)24(5-2)20(23)26)22(3)16(21-18)14-10-9-13-15-11-7-6-8-12-15/h6-14H,4-5H2,1-3H3/b13-9+,14-10+
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2.74n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from Sprague-Dawley rat adenosine A2A receptor by scintillation counting


Bioorg Med Chem 16: 8676-84 (2008)


Article DOI: 10.1016/j.bmc.2008.07.088
BindingDB Entry DOI: 10.7270/Q2Z0380R
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50350637
PNG
(CHEMBL1813523)
Show SMILES Brc1ccc(COc2ccc3C(=O)NC(=O)c3c2)cc1
Show InChI InChI=1S/C15H10BrNO3/c16-10-3-1-9(2-4-10)8-20-11-5-6-12-13(7-11)15(19)17-14(12)18/h1-7H,8H2,(H,17,18,19)
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3n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in insect cells using kynuramine substrate using Cheng and Prusoff equation by fluorescence spectrosco...


Bioorg Med Chem 19: 4829-40 (2011)


Article DOI: 10.1016/j.bmc.2011.06.070
BindingDB Entry DOI: 10.7270/Q2H41RTW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50259619
PNG
((E)-5-Styrylisatin | CHEMBL466872)
Show SMILES O=C1Nc2ccc(\C=C\c3ccccc3)cc2C1=O
Show InChI InChI=1S/C16H11NO2/c18-15-13-10-12(8-9-14(13)17-16(15)19)7-6-11-4-2-1-3-5-11/h1-10H,(H,17,18,19)/b7-6+
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4n/an/an/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
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50264554
PNG
((E)-1,3-diethyl-8-(3,4-dimethoxystyryl)-7-methylxa...)
Show SMILES CCN1C2N=C(C=Cc3ccc(OC)c(OC)c3)N(C)C2C(=O)N(CC)C1=O
Show InChI InChI=1S/C20H26N4O4/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(3)16(21-18)11-9-13-8-10-14(27-4)15(12-13)28-5/h8-12,17-18H,6-7H2,1-5H3
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4.46n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from Sprague-Dawley rat adenosine A2A receptor by scintillation counting


Bioorg Med Chem 16: 8676-84 (2008)


Article DOI: 10.1016/j.bmc.2008.07.088
BindingDB Entry DOI: 10.7270/Q2Z0380R
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50350642
PNG
(CHEMBL1813519)
Show SMILES O=C1NC(=O)c2cc(OCCc3ccccc3)ccc12
Show InChI InChI=1S/C16H13NO3/c18-15-13-7-6-12(10-14(13)16(19)17-15)20-9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,17,18,19)
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7n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in insect cells using kynuramine substrate using Cheng and Prusoff equation by fluorescence spectrosco...


Bioorg Med Chem 19: 4829-40 (2011)


Article DOI: 10.1016/j.bmc.2011.06.070
BindingDB Entry DOI: 10.7270/Q2H41RTW
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50264669
PNG
((E,E)-1,3-Diethyl-8-(4-phenylbutadien-1-yl)-7-ethy...)
Show SMILES CCn1c(\C=C\C=C\c2ccccc2)nc2n(CC)c(=O)n(CC)c(=O)c12
Show InChI InChI=1S/C21H24N4O2/c1-4-23-17(15-11-10-14-16-12-8-7-9-13-16)22-19-18(23)20(26)25(6-3)21(27)24(19)5-2/h7-15H,4-6H2,1-3H3/b14-10+,15-11+
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7.73n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from Sprague-Dawley rat adenosine A2A receptor by scintillation counting


Bioorg Med Chem 16: 8676-84 (2008)


Article DOI: 10.1016/j.bmc.2008.07.088
BindingDB Entry DOI: 10.7270/Q2Z0380R
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50402336
PNG
(CHEMBL2206107)
Show SMILES Cn1c(SCCc2ccc(Cl)cc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H17ClN4O2S/c1-19-12-13(20(2)16(23)21(3)14(12)22)18-15(19)24-9-8-10-4-6-11(17)7-5-10/h4-7H,8-9H2,1-3H3
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9.80n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant MAO-B expressed in insect cell microsome using kynuramine as substrate by Morrison equation analysis


Bioorg Med Chem 20: 7040-50 (2012)


Article DOI: 10.1016/j.bmc.2012.10.005
BindingDB Entry DOI: 10.7270/Q2QZ2C4W
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50350636
PNG
(CHEMBL1813522)
Show SMILES O=C1NC(=O)c2cc(Oc3ccc4ccccc4c3)ccc12
Show InChI InChI=1S/C18H11NO3/c20-17-15-8-7-14(10-16(15)18(21)19-17)22-13-6-5-11-3-1-2-4-12(11)9-13/h1-10H,(H,19,20,21)
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10n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in insect cells using kynuramine substrate using Cheng and Prusoff equation by fluorescence spectrosco...


Bioorg Med Chem 19: 4829-40 (2011)


Article DOI: 10.1016/j.bmc.2011.06.070
BindingDB Entry DOI: 10.7270/Q2H41RTW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50402336
PNG
(CHEMBL2206107)
Show SMILES Cn1c(SCCc2ccc(Cl)cc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H17ClN4O2S/c1-19-12-13(20(2)16(23)21(3)14(12)22)18-15(19)24-9-8-10-4-6-11(17)7-5-10/h4-7H,8-9H2,1-3H3
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13n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant MAO-B expressed in insect cell microsome using kynuramine as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 20: 7040-50 (2012)


Article DOI: 10.1016/j.bmc.2012.10.005
BindingDB Entry DOI: 10.7270/Q2QZ2C4W
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50264625
PNG
((E,E)-1,3-Dimethyl-8-(4-phenylbutadien-1-yl)-7-eth...)
Show SMILES CCn1c(\C=C\C=C\c2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C19H20N4O2/c1-4-23-15(13-9-8-12-14-10-6-5-7-11-14)20-17-16(23)18(24)22(3)19(25)21(17)2/h5-13H,4H2,1-3H3/b12-8+,13-9+
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13.5n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from Sprague-Dawley rat adenosine A2A receptor by scintillation counting


Bioorg Med Chem 16: 8676-84 (2008)


Article DOI: 10.1016/j.bmc.2008.07.088
BindingDB Entry DOI: 10.7270/Q2Z0380R
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50350641
PNG
(CHEMBL342357)
Show SMILES O=C1NC(=O)c2cc(OCc3ccccc3)ccc12
Show InChI InChI=1S/C15H11NO3/c17-14-12-7-6-11(8-13(12)15(18)16-14)19-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17,18)
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19n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in insect cells using kynuramine substrate using Cheng and Prusoff equation by fluorescence spectrosco...


Bioorg Med Chem 19: 4829-40 (2011)


Article DOI: 10.1016/j.bmc.2011.06.070
BindingDB Entry DOI: 10.7270/Q2H41RTW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50350635
PNG
(CHEMBL1813521)
Show SMILES O=C1NC(=O)c2cc(OC\C=C\c3ccccc3)ccc12
Show InChI InChI=1S/C17H13NO3/c19-16-14-9-8-13(11-15(14)17(20)18-16)21-10-4-7-12-5-2-1-3-6-12/h1-9,11H,10H2,(H,18,19,20)/b7-4+
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20n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in insect cells using kynuramine substrate using Cheng and Prusoff equation by fluorescence spectrosco...


Bioorg Med Chem 19: 4829-40 (2011)


Article DOI: 10.1016/j.bmc.2011.06.070
BindingDB Entry DOI: 10.7270/Q2H41RTW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50350643
PNG
(CHEMBL1813520)
Show SMILES O=C1NC(=O)c2cc(OCCCc3ccccc3)ccc12
Show InChI InChI=1S/C17H15NO3/c19-16-14-9-8-13(11-15(14)17(20)18-16)21-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10H2,(H,18,19,20)
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20n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in insect cells using kynuramine substrate using Cheng and Prusoff equation by fluorescence spectrosco...


Bioorg Med Chem 19: 4829-40 (2011)


Article DOI: 10.1016/j.bmc.2011.06.070
BindingDB Entry DOI: 10.7270/Q2H41RTW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50306698
PNG
(8-(3-Bromobenzyloxy)caffeine | CHEMBL602464)
Show SMILES Cn1c(OCc2cccc(Br)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C15H15BrN4O3/c1-18-11-12(19(2)15(22)20(3)13(11)21)17-14(18)23-8-9-5-4-6-10(16)7-9/h4-7H,8H2,1-3H3
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23n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA assessed as 4-hydroxyquinoline formation by fluorometry


Bioorg Med Chem 18: 1018-28 (2010)


Article DOI: 10.1016/j.bmc.2009.12.064
BindingDB Entry DOI: 10.7270/Q2862GJW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50350639
PNG
(CHEMBL1813525)
Show SMILES Brc1ccc(Oc2ccc3C(=O)NC(=O)c3c2)cc1
Show InChI InChI=1S/C14H8BrNO3/c15-8-1-3-9(4-2-8)19-10-5-6-11-12(7-10)14(18)16-13(11)17/h1-7H,(H,16,17,18)
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24n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in insect cells using kynuramine substrate using Cheng and Prusoff equation by fluorescence spectrosco...


Bioorg Med Chem 19: 4829-40 (2011)


Article DOI: 10.1016/j.bmc.2011.06.070
BindingDB Entry DOI: 10.7270/Q2H41RTW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50334293
PNG
(5-(4-Chlorophenoxy)isatin | CHEMBL1642679)
Show SMILES Clc1ccc(Oc2ccc3NC(=O)C(=O)c3c2)cc1
Show InChI InChI=1S/C14H8ClNO3/c15-8-1-3-9(4-2-8)19-10-5-6-12-11(7-10)13(17)14(18)16-12/h1-7H,(H,16,17,18)
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28n/an/an/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))
BDBM50350638
PNG
(CHEMBL1813524)
Show SMILES Brc1ccc(CCOc2ccc3C(=O)NC(=O)c3c2)cc1
Show InChI InChI=1S/C16H12BrNO3/c17-11-3-1-10(2-4-11)7-8-21-12-5-6-13-14(9-12)16(20)18-15(13)19/h1-6,9H,7-8H2,(H,18,19,20)
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29n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in insect cells using kynuramine substrate using Cheng and Prusoff equation by fluorescence spectrosco...


Bioorg Med Chem 19: 4829-40 (2011)


Article DOI: 10.1016/j.bmc.2011.06.070
BindingDB Entry DOI: 10.7270/Q2H41RTW
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50264556
PNG
((Z)-8-(3-chlorostyryl)caffeine | CHEMBL483243)
Show SMILES CN1C2C(N=C1C=Cc1cccc(Cl)c1)N(C)C(=O)N(C)C2=O
Show InChI InChI=1S/C16H17ClN4O2/c1-19-12(8-7-10-5-4-6-11(17)9-10)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-9,13-14H,1-3H3
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30.2n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from Sprague-Dawley rat adenosine A2A receptor by scintillation counting


Bioorg Med Chem 16: 8676-84 (2008)


Article DOI: 10.1016/j.bmc.2008.07.088
BindingDB Entry DOI: 10.7270/Q2Z0380R
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50306697
PNG
(8-(3-Chlorobenzyloxy)caffeine | CHEMBL602260)
Show SMILES Cn1c(OCc2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C15H15ClN4O3/c1-18-11-12(19(2)15(22)20(3)13(11)21)17-14(18)23-8-9-5-4-6-10(16)7-9/h4-7H,8H2,1-3H3
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36n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA assessed as 4-hydroxyquinoline formation by fluorometry


Bioorg Med Chem 18: 1018-28 (2010)


Article DOI: 10.1016/j.bmc.2009.12.064
BindingDB Entry DOI: 10.7270/Q2862GJW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50264670
PNG
((E)-8-(3,4-dichlorostyryl)-1,3,7-trimethyl-3,4,5,7...)
Show SMILES CN1C2C(N=C1C=Cc1ccc(Cl)c(Cl)c1)N(C)C(=O)N(C)C2=O
Show InChI InChI=1S/C16H16Cl2N4O2/c1-20-12(7-5-9-4-6-10(17)11(18)8-9)19-14-13(20)15(23)22(3)16(24)21(14)2/h4-8,13-14H,1-3H3
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36n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of monoamine oxidase B (unknown origin)


Bioorg Med Chem 16: 8676-84 (2008)


Article DOI: 10.1016/j.bmc.2008.07.088
BindingDB Entry DOI: 10.7270/Q2Z0380R
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50334284
PNG
(5-Benzyloxyisatin | CHEMBL1642670)
Show SMILES O=C1Nc2ccc(OCc3ccccc3)cc2C1=O
Show InChI InChI=1S/C15H11NO3/c17-14-12-8-11(6-7-13(12)16-15(14)18)19-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17,18)
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44n/an/an/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))
BDBM50348835
PNG
(CHEMBL1806760)
Show SMILES Cn1c(OCc2ccc(Br)cc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C15H15BrN4O3/c1-18-11-12(19(2)15(22)20(3)13(11)21)17-14(18)23-8-9-4-6-10(16)7-5-9/h4-7H,8H2,1-3H3
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45n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB expressed in baculovirus infected insect cell microsomes using kynuramine as substrate assessed as formation of ...


Eur J Med Chem 46: 3474-85 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.014
BindingDB Entry DOI: 10.7270/Q2JH3MJH
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50348834
PNG
(CHEMBL1806759)
Show SMILES Cn1c(OCc2ccc(Cl)cc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C15H15ClN4O3/c1-18-11-12(19(2)15(22)20(3)13(11)21)17-14(18)23-8-9-4-6-10(16)7-5-9/h4-7H,8H2,1-3H3
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48n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB expressed in baculovirus infected insect cell microsomes using kynuramine as substrate assessed as formation of ...


Eur J Med Chem 46: 3474-85 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.014
BindingDB Entry DOI: 10.7270/Q2JH3MJH
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50306700
PNG
(8-[(3-Trifluoromethyl)benzyloxy]caffeine | CHEMBL6...)
Show SMILES Cn1c(OCc2cccc(c2)C(F)(F)F)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H15F3N4O3/c1-21-11-12(22(2)15(25)23(3)13(11)24)20-14(21)26-8-9-5-4-6-10(7-9)16(17,18)19/h4-7H,8H2,1-3H3
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51n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA assessed as 4-hydroxyquinoline formation by fluorometry


Bioorg Med Chem 18: 1018-28 (2010)


Article DOI: 10.1016/j.bmc.2009.12.064
BindingDB Entry DOI: 10.7270/Q2862GJW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50350637
PNG
(CHEMBL1813523)
Show SMILES Brc1ccc(COc2ccc3C(=O)NC(=O)c3c2)cc1
Show InChI InChI=1S/C15H10BrNO3/c16-10-3-1-9(2-4-10)8-20-11-5-6-12-13(7-11)15(19)17-14(12)18/h1-7H,8H2,(H,17,18,19)
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58n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA expressed in insect cells using kynuramine substrate using Cheng and Prusoff equation by fluorescence spectrosco...


Bioorg Med Chem 19: 4829-40 (2011)


Article DOI: 10.1016/j.bmc.2011.06.070
BindingDB Entry DOI: 10.7270/Q2H41RTW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50334285
PNG
(6-Benzyloxyisatin | CHEMBL1642671)
Show SMILES O=C1Nc2cc(OCc3ccccc3)ccc2C1=O
Show InChI InChI=1S/C15H11NO3/c17-14-12-7-6-11(8-13(12)16-15(14)18)19-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17,18)
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59n/an/an/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
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50264624
PNG
((E,E)-8-[4-(3-Bromophenyl)butadien-1-yl]caffeine |...)
Show SMILES Cn1c(\C=C\C=C\c2cccc(Br)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C18H17BrN4O2/c1-21-14(10-5-4-7-12-8-6-9-13(19)11-12)20-16-15(21)17(24)23(3)18(25)22(16)2/h4-11H,1-3H3/b7-4+,10-5+
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59.1n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from Sprague-Dawley rat adenosine A2A receptor by scintillation counting


Bioorg Med Chem 16: 8676-84 (2008)


Article DOI: 10.1016/j.bmc.2008.07.088
BindingDB Entry DOI: 10.7270/Q2Z0380R
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50259619
PNG
((E)-5-Styrylisatin | CHEMBL466872)
Show SMILES O=C1Nc2ccc(\C=C\c3ccccc3)cc2C1=O
Show InChI InChI=1S/C16H11NO2/c18-15-13-10-12(8-9-14(13)17-16(15)19)7-6-11-4-2-1-3-5-11/h1-10H,(H,17,18,19)/b7-6+
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61n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA 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))
BDBM50264557
PNG
((E)-8-(3-bromostyryl)-1,3,7-trimethyl-3,4,5,7-tetr...)
Show SMILES CN1C2C(N=C1C=Cc1cccc(Br)c1)N(C)C(=O)N(C)C2=O
Show InChI InChI=1S/C16H17BrN4O2/c1-19-12(8-7-10-5-4-6-11(17)9-10)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-9,13-14H,1-3H3
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83n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of monoamine oxidase B (unknown origin)


Bioorg Med Chem 16: 8676-84 (2008)


Article DOI: 10.1016/j.bmc.2008.07.088
BindingDB Entry DOI: 10.7270/Q2Z0380R
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50037429
PNG
(8-(3-chlorostyryl)caffeine | 8-[(E)-2-(3-chlorophe...)
Show SMILES Cn1c(\C=C\c2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H15ClN4O2/c1-19-12(8-7-10-5-4-6-11(17)9-10)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-9H,1-3H3/b8-7+
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86n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of recombinant wild-type MAOB from human liver expressed in Pichia pastoris


Bioorg Med Chem Lett 19: 2509-13 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.030
BindingDB Entry DOI: 10.7270/Q2C53KQB
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50348844
PNG
(CHEMBL1806768)
Show SMILES Cn1c(OCCOc2ccc(Br)cc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H17BrN4O4/c1-19-12-13(20(2)16(23)21(3)14(12)22)18-15(19)25-9-8-24-11-6-4-10(17)5-7-11/h4-7H,8-9H2,1-3H3
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88n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant MAOB expressed in baculovirus infected insect cell microsomes using kynuramine as substrate assessed as 4...


Eur J Med Chem 46: 3474-85 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.014
BindingDB Entry DOI: 10.7270/Q2JH3MJH
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50264622
PNG
((E,E)-8-[4-(3-Chlorophenyl)butadien-1-yl]caffeine ...)
Show SMILES Cn1c(\C=C\C=C\c2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C18H17ClN4O2/c1-21-14(10-5-4-7-12-8-6-9-13(19)11-12)20-16-15(21)17(24)23(3)18(25)22(16)2/h4-11H,1-3H3/b7-4+,10-5+
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104n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from Sprague-Dawley rat adenosine A2A receptor by scintillation counting


Bioorg Med Chem 16: 8676-84 (2008)


Article DOI: 10.1016/j.bmc.2008.07.088
BindingDB Entry DOI: 10.7270/Q2Z0380R
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50264623
PNG
((E,E)-8-[4-(3-Fluorophenyl)butadien-1-yl]caffeine ...)
Show SMILES Cn1c(\C=C\C=C\c2cccc(F)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C18H17FN4O2/c1-21-14(10-5-4-7-12-8-6-9-13(19)11-12)20-16-15(21)17(24)23(3)18(25)22(16)2/h4-11H,1-3H3/b7-4+,10-5+
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114n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from Sprague-Dawley rat adenosine A2A receptor by scintillation counting


Bioorg Med Chem 16: 8676-84 (2008)


Article DOI: 10.1016/j.bmc.2008.07.088
BindingDB Entry DOI: 10.7270/Q2Z0380R
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50348844
PNG
(CHEMBL1806768)
Show SMILES Cn1c(OCCOc2ccc(Br)cc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H17BrN4O4/c1-19-12-13(20(2)16(23)21(3)14(12)22)18-15(19)25-9-8-24-11-6-4-10(17)5-7-11/h4-7H,8-9H2,1-3H3
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120n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB expressed in baculovirus infected insect cell microsomes using kynuramine as substrate assessed as formation of ...


Eur J Med Chem 46: 3474-85 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.014
BindingDB Entry DOI: 10.7270/Q2JH3MJH
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50348843
PNG
(CHEMBL1806767)
Show SMILES Cn1c(OCCOc2ccc(Cl)cc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H17ClN4O4/c1-19-12-13(20(2)16(23)21(3)14(12)22)18-15(19)25-9-8-24-11-6-4-10(17)5-7-11/h4-7H,8-9H2,1-3H3
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130n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB expressed in baculovirus infected insect cell microsomes using kynuramine as substrate assessed as formation of ...


Eur J Med Chem 46: 3474-85 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.014
BindingDB Entry DOI: 10.7270/Q2JH3MJH
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50306701
PNG
(8-(3-Methylbenzyloxy)caffeine | CHEMBL589765)
Show SMILES Cc1cccc(COc2nc3n(C)c(=O)n(C)c(=O)c3n2C)c1
Show InChI InChI=1S/C16H18N4O3/c1-10-6-5-7-11(8-10)9-23-15-17-13-12(18(15)2)14(21)20(4)16(22)19(13)3/h5-8H,9H2,1-4H3
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140n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB assessed as 4-hydroxyquinoline formation by fluorometry


Bioorg Med Chem 18: 1018-28 (2010)


Article DOI: 10.1016/j.bmc.2009.12.064
BindingDB Entry DOI: 10.7270/Q2862GJW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50334290
PNG
(5‐phenyl‐1H‐indole‐2,3R...)
Show SMILES O=C1Nc2ccc(cc2C1=O)-c1ccccc1
Show InChI InChI=1S/C14H9NO2/c16-13-11-8-10(9-4-2-1-3-5-9)6-7-12(11)15-14(13)17/h1-8H,(H,15,16,17)
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148n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA 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
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50264585
PNG
((E,E)-8-(4-Phenylbutadien-1-yl)caffeine | CHEMBL48...)
Show SMILES Cn1c(\C=C\C=C\c2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C18H18N4O2/c1-20-14(12-8-7-11-13-9-5-4-6-10-13)19-16-15(20)17(23)22(3)18(24)21(16)2/h4-12H,1-3H3/b11-7+,12-8+
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153n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from Sprague-Dawley rat adenosine A2A receptor by scintillation counting


Bioorg Med Chem 16: 8676-84 (2008)


Article DOI: 10.1016/j.bmc.2008.07.088
BindingDB Entry DOI: 10.7270/Q2Z0380R
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50306701
PNG
(8-(3-Methylbenzyloxy)caffeine | CHEMBL589765)
Show SMILES Cc1cccc(COc2nc3n(C)c(=O)n(C)c(=O)c3n2C)c1
Show InChI InChI=1S/C16H18N4O3/c1-10-6-5-7-11(8-10)9-23-15-17-13-12(18(15)2)14(21)20(4)16(22)19(13)3/h5-8H,9H2,1-4H3
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180n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA assessed as 4-hydroxyquinoline formation by fluorometry


Bioorg Med Chem 18: 1018-28 (2010)


Article DOI: 10.1016/j.bmc.2009.12.064
BindingDB Entry DOI: 10.7270/Q2862GJW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50306699
PNG
(8-(3-Fluorobenzyloxy)caffeine | CHEMBL602465)
Show SMILES Cn1c(OCc2cccc(F)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C15H15FN4O3/c1-18-11-12(19(2)15(22)20(3)13(11)21)17-14(18)23-8-9-5-4-6-10(16)7-9/h4-7H,8H2,1-3H3
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180n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA assessed as 4-hydroxyquinoline formation by fluorometry


Bioorg Med Chem 18: 1018-28 (2010)


Article DOI: 10.1016/j.bmc.2009.12.064
BindingDB Entry DOI: 10.7270/Q2862GJW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50350636
PNG
(CHEMBL1813522)
Show SMILES O=C1NC(=O)c2cc(Oc3ccc4ccccc4c3)ccc12
Show InChI InChI=1S/C18H11NO3/c20-17-15-8-7-14(10-16(15)18(21)19-17)22-13-6-5-11-3-1-2-4-12(11)9-13/h1-10H,(H,19,20,21)
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200n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA expressed in insect cells using kynuramine substrate using Cheng and Prusoff equation by fluorescence spectrosco...


Bioorg Med Chem 19: 4829-40 (2011)


Article DOI: 10.1016/j.bmc.2011.06.070
BindingDB Entry DOI: 10.7270/Q2H41RTW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50306697
PNG
(8-(3-Chlorobenzyloxy)caffeine | CHEMBL602260)
Show SMILES Cn1c(OCc2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C15H15ClN4O3/c1-18-11-12(19(2)15(22)20(3)13(11)21)17-14(18)23-8-9-5-4-6-10(16)7-9/h4-7H,8H2,1-3H3
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230n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB assessed as 4-hydroxyquinoline formation by fluorometry


Bioorg Med Chem 18: 1018-28 (2010)


Article DOI: 10.1016/j.bmc.2009.12.064
BindingDB Entry DOI: 10.7270/Q2862GJW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50258885
PNG
((E)-6-Styrylisatin | CHEMBL450239)
Show SMILES O=C1Nc2cc(\C=C\c3ccccc3)ccc2C1=O
Show InChI InChI=1S/C16H11NO2/c18-15-13-9-8-12(10-14(13)17-16(15)19)7-6-11-4-2-1-3-5-11/h1-10H,(H,17,18,19)/b7-6+
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266n/an/an/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))
BDBM50348841
PNG
(CHEMBL1806765)
Show SMILES CC(C)CCCCOc1nc2n(C)c(=O)n(C)c(=O)c2n1C
Show InChI InChI=1S/C15H24N4O3/c1-10(2)8-6-7-9-22-14-16-12-11(17(14)3)13(20)19(5)15(21)18(12)4/h10H,6-9H2,1-5H3
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280n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB expressed in baculovirus infected insect cell microsomes using kynuramine as substrate assessed as formation of ...


Eur J Med Chem 46: 3474-85 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.014
BindingDB Entry DOI: 10.7270/Q2JH3MJH
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50348839
PNG
(CHEMBL1806763)
Show SMILES Cn1c(OCCOc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H18N4O4/c1-18-12-13(19(2)16(22)20(3)14(12)21)17-15(18)24-10-9-23-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
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280n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB expressed in baculovirus infected insect cell microsomes using kynuramine as substrate assessed as formation of ...


Eur J Med Chem 46: 3474-85 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.014
BindingDB Entry DOI: 10.7270/Q2JH3MJH
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50350638
PNG
(CHEMBL1813524)
Show SMILES Brc1ccc(CCOc2ccc3C(=O)NC(=O)c3c2)cc1
Show InChI InChI=1S/C16H12BrNO3/c17-11-3-1-10(2-4-11)7-8-21-12-5-6-13-14(9-12)16(20)18-15(13)19/h1-6,9H,7-8H2,(H,18,19,20)
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285n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA expressed in insect cells using kynuramine substrate using Cheng and Prusoff equation by fluorescence spectrosco...


Bioorg Med Chem 19: 4829-40 (2011)


Article DOI: 10.1016/j.bmc.2011.06.070
BindingDB Entry DOI: 10.7270/Q2H41RTW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50350639
PNG
(CHEMBL1813525)
Show SMILES Brc1ccc(Oc2ccc3C(=O)NC(=O)c3c2)cc1
Show InChI InChI=1S/C14H8BrNO3/c15-8-1-3-9(4-2-8)19-10-5-6-11-12(7-10)14(18)16-13(11)17/h1-7H,(H,16,17,18)
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285n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA expressed in insect cells using kynuramine substrate using Cheng and Prusoff equation by fluorescence spectrosco...


Bioorg Med Chem 19: 4829-40 (2011)


Article DOI: 10.1016/j.bmc.2011.06.070
BindingDB Entry DOI: 10.7270/Q2H41RTW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50259619
PNG
((E)-5-Styrylisatin | CHEMBL466872)
Show SMILES O=C1Nc2ccc(\C=C\c3ccccc3)cc2C1=O
Show InChI InChI=1S/C16H11NO2/c18-15-13-10-12(8-9-14(13)17-16(15)19)7-6-11-4-2-1-3-5-11/h1-10H,(H,17,18,19)/b7-6+
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310n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of recombinant wild-type MAOB from human liver expressed in Pichia pastoris


Bioorg Med Chem Lett 19: 2509-13 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.030
BindingDB Entry DOI: 10.7270/Q2C53KQB
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50306698
PNG
(8-(3-Bromobenzyloxy)caffeine | CHEMBL602464)
Show SMILES Cn1c(OCc2cccc(Br)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C15H15BrN4O3/c1-18-11-12(19(2)15(22)20(3)13(11)21)17-14(18)23-8-9-5-4-6-10(16)7-9/h4-7H,8H2,1-3H3
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330n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB assessed as 4-hydroxyquinoline formation by fluorometry


Bioorg Med Chem 18: 1018-28 (2010)


Article DOI: 10.1016/j.bmc.2009.12.064
BindingDB Entry DOI: 10.7270/Q2862GJW
More data for this
Ligand-Target Pair
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