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Compile Data Set for Download or QSAR

Found 45 hits with Last Name = 'swanepoel' and Initial = 'aj'   
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))
BDBM50420979
PNG
(CHEMBL2088301)
Show SMILES Cn1c(COc2cccc(Br)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C15H15BrN4O3/c1-18-11(8-23-10-6-4-5-9(16)7-10)17-13-12(18)14(21)20(3)15(22)19(13)2/h4-7H,8H2,1-3H3
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n/an/a 148n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected insect cells using kynuramine as substrate after 20 mins by horseradish perox...


Bioorg Med Chem 20: 4336-47 (2012)


Article DOI: 10.1016/j.bmc.2012.05.048
BindingDB Entry DOI: 10.7270/Q2251KGN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50420984
PNG
(CHEMBL2088307)
Show SMILES Cn1c(COc2ccc(Br)cc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C15H15BrN4O3/c1-18-11(8-23-10-6-4-9(16)5-7-10)17-13-12(18)14(21)20(3)15(22)19(13)2/h4-7H,8H2,1-3H3
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n/an/a 189n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected insect cells using kynuramine as substrate after 20 mins by horseradish perox...


Bioorg Med Chem 20: 4336-47 (2012)


Article DOI: 10.1016/j.bmc.2012.05.048
BindingDB Entry DOI: 10.7270/Q2251KGN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50420983
PNG
(CHEMBL2088306)
Show SMILES Cn1c(COc2ccc(Cl)cc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C15H15ClN4O3/c1-18-11(8-23-10-6-4-9(16)5-7-10)17-13-12(18)14(21)20(3)15(22)19(13)2/h4-7H,8H2,1-3H3
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n/an/a 250n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected insect cells using kynuramine as substrate after 20 mins by horseradish perox...


Bioorg Med Chem 20: 4336-47 (2012)


Article DOI: 10.1016/j.bmc.2012.05.048
BindingDB Entry DOI: 10.7270/Q2251KGN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50420990
PNG
(CHEMBL2088300)
Show SMILES Cn1c(COc2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C15H15ClN4O3/c1-18-11(8-23-10-6-4-5-9(16)7-10)17-13-12(18)14(21)20(3)15(22)19(13)2/h4-7H,8H2,1-3H3
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n/an/a 334n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected insect cells using kynuramine as substrate after 20 mins by horseradish perox...


Bioorg Med Chem 20: 4336-47 (2012)


Article DOI: 10.1016/j.bmc.2012.05.048
BindingDB Entry DOI: 10.7270/Q2251KGN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50420981
PNG
(CHEMBL2088303)
Show SMILES Cn1c(COc2cccc(c2)C(F)(F)F)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H15F3N4O3/c1-21-11(8-26-10-6-4-5-9(7-10)16(17,18)19)20-13-12(21)14(24)23(3)15(25)22(13)2/h4-7H,8H2,1-3H3
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n/an/a 641n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected insect cells using kynuramine as substrate after 20 mins by horseradish perox...


Bioorg Med Chem 20: 4336-47 (2012)


Article DOI: 10.1016/j.bmc.2012.05.048
BindingDB Entry DOI: 10.7270/Q2251KGN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50420985
PNG
(CHEMBL2088308)
Show SMILES Cn1c(COc2ccc(F)cc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C15H15FN4O3/c1-18-11(8-23-10-6-4-9(16)5-7-10)17-13-12(18)14(21)20(3)15(22)19(13)2/h4-7H,8H2,1-3H3
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n/an/a 825n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected insect cells using kynuramine as substrate after 20 mins by horseradish perox...


Bioorg Med Chem 20: 4336-47 (2012)


Article DOI: 10.1016/j.bmc.2012.05.048
BindingDB Entry DOI: 10.7270/Q2251KGN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50420982
PNG
(CHEMBL2088304)
Show SMILES Cc1cccc(OCc2nc3n(C)c(=O)n(C)c(=O)c3n2C)c1
Show InChI InChI=1S/C16H18N4O3/c1-10-6-5-7-11(8-10)23-9-12-17-14-13(18(12)2)15(21)20(4)16(22)19(14)3/h5-8H,9H2,1-4H3
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n/an/a 1.23E+3n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected insect cells using kynuramine as substrate after 20 mins by horseradish perox...


Bioorg Med Chem 20: 4336-47 (2012)


Article DOI: 10.1016/j.bmc.2012.05.048
BindingDB Entry DOI: 10.7270/Q2251KGN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50420980
PNG
(CHEMBL2088302)
Show SMILES Cn1c(COc2cccc(F)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C15H15FN4O3/c1-18-11(8-23-10-6-4-5-9(16)7-10)17-13-12(18)14(21)20(3)15(22)19(13)2/h4-7H,8H2,1-3H3
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n/an/a 1.61E+3n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected insect cells using kynuramine as substrate after 20 mins by horseradish perox...


Bioorg Med Chem 20: 4336-47 (2012)


Article DOI: 10.1016/j.bmc.2012.05.048
BindingDB Entry DOI: 10.7270/Q2251KGN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50420991
PNG
(CHEMBL2088305)
Show SMILES COc1cccc(OCc2nc3n(C)c(=O)n(C)c(=O)c3n2C)c1
Show InChI InChI=1S/C16H18N4O4/c1-18-12(9-24-11-7-5-6-10(8-11)23-4)17-14-13(18)15(21)20(3)16(22)19(14)2/h5-8H,9H2,1-4H3
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n/an/a 1.96E+3n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected insect cells using kynuramine as substrate after 20 mins by horseradish perox...


Bioorg Med Chem 20: 4336-47 (2012)


Article DOI: 10.1016/j.bmc.2012.05.048
BindingDB Entry DOI: 10.7270/Q2251KGN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50420971
PNG
(CHEMBL2088317)
Show SMILES Cn1c(CSc2ccc(Br)cc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C15H15BrN4O2S/c1-18-11(8-23-10-6-4-9(16)5-7-10)17-13-12(18)14(21)20(3)15(22)19(13)2/h4-7H,8H2,1-3H3
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n/an/a 4.05E+3n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected insect cells using kynuramine as substrate after 20 mins by fluorescence spec...


Bioorg Med Chem 20: 4336-47 (2012)


Article DOI: 10.1016/j.bmc.2012.05.048
BindingDB Entry DOI: 10.7270/Q2251KGN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50420981
PNG
(CHEMBL2088303)
Show SMILES Cn1c(COc2cccc(c2)C(F)(F)F)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H15F3N4O3/c1-21-11(8-26-10-6-4-5-9(7-10)16(17,18)19)20-13-12(21)14(24)23(3)15(25)22(13)2/h4-7H,8H2,1-3H3
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n/an/a 4.59E+3n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus infected insect cells using kynuramine as substrate after 20 mins by horseradish perox...


Bioorg Med Chem 20: 4336-47 (2012)


Article DOI: 10.1016/j.bmc.2012.05.048
BindingDB Entry DOI: 10.7270/Q2251KGN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50420974
PNG
(CHEMBL2088311)
Show SMILES Cn1c(CSc2cccc(Br)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C15H15BrN4O2S/c1-18-11(8-23-10-6-4-5-9(16)7-10)17-13-12(18)14(21)20(3)15(22)19(13)2/h4-7H,8H2,1-3H3
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n/an/a 4.90E+3n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected insect cells using kynuramine as substrate after 20 mins by fluorescence spec...


Bioorg Med Chem 20: 4336-47 (2012)


Article DOI: 10.1016/j.bmc.2012.05.048
BindingDB Entry DOI: 10.7270/Q2251KGN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50420992
PNG
(CHEMBL2088319)
Show SMILES Cn1c(CCSc2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H17ClN4O2S/c1-19-12(7-8-24-11-6-4-5-10(17)9-11)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-6,9H,7-8H2,1-3H3
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n/an/a 5.67E+3n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected insect cells using kynuramine as substrate after 20 mins by horseradish perox...


Bioorg Med Chem 20: 4336-47 (2012)


Article DOI: 10.1016/j.bmc.2012.05.048
BindingDB Entry DOI: 10.7270/Q2251KGN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50420978
PNG
(8-Phenoxymethylcaffeine (8a) | CHEMBL2088299)
Show SMILES Cn1c(COc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C15H16N4O3/c1-17-11(9-22-10-7-5-4-6-8-10)16-13-12(17)14(20)19(3)15(21)18(13)2/h4-8H,9H2,1-3H3
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n/an/a 5.78E+3n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected insect cells using kynuramine as substrate after 20 mins by horseradish perox...


Bioorg Med Chem 20: 4336-47 (2012)


Article DOI: 10.1016/j.bmc.2012.05.048
BindingDB Entry DOI: 10.7270/Q2251KGN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50420973
PNG
(CHEMBL2088310)
Show SMILES Cn1c(CSc2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C15H15ClN4O2S/c1-18-11(8-23-10-6-4-5-9(16)7-10)17-13-12(18)14(21)20(3)15(22)19(13)2/h4-7H,8H2,1-3H3
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n/an/a 6.12E+3n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected insect cells using kynuramine as substrate after 20 mins by fluorescence spec...


Bioorg Med Chem 20: 4336-47 (2012)


Article DOI: 10.1016/j.bmc.2012.05.048
BindingDB Entry DOI: 10.7270/Q2251KGN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50420970
PNG
(CHEMBL2088316)
Show SMILES Cn1c(CSc2ccc(Cl)cc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C15H15ClN4O2S/c1-18-11(8-23-10-6-4-9(16)5-7-10)17-13-12(18)14(21)20(3)15(22)19(13)2/h4-7H,8H2,1-3H3
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n/an/a 6.91E+3n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected insect cells using kynuramine as substrate after 20 mins by fluorescence spec...


Bioorg Med Chem 20: 4336-47 (2012)


Article DOI: 10.1016/j.bmc.2012.05.048
BindingDB Entry DOI: 10.7270/Q2251KGN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50420988
PNG
(CHEMBL2088321)
Show SMILES Cn1c(CCSc2ccc(Cl)cc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H17ClN4O2S/c1-19-12(8-9-24-11-6-4-10(17)5-7-11)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-7H,8-9H2,1-3H3
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n/an/a 7.79E+3n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected insect cells using kynuramine as substrate after 20 mins by horseradish perox...


Bioorg Med Chem 20: 4336-47 (2012)


Article DOI: 10.1016/j.bmc.2012.05.048
BindingDB Entry DOI: 10.7270/Q2251KGN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50420985
PNG
(CHEMBL2088308)
Show SMILES Cn1c(COc2ccc(F)cc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C15H15FN4O3/c1-18-11(8-23-10-6-4-9(16)5-7-10)17-13-12(18)14(21)20(3)15(22)19(13)2/h4-7H,8H2,1-3H3
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n/an/a 8.22E+3n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus infected insect cells using kynuramine as substrate after 20 mins by horseradish perox...


Bioorg Med Chem 20: 4336-47 (2012)


Article DOI: 10.1016/j.bmc.2012.05.048
BindingDB Entry DOI: 10.7270/Q2251KGN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50420977
PNG
(CHEMBL2088314)
Show SMILES COc1cccc(SCc2nc3n(C)c(=O)n(C)c(=O)c3n2C)c1
Show InChI InChI=1S/C16H18N4O3S/c1-18-12(9-24-11-7-5-6-10(8-11)23-4)17-14-13(18)15(21)20(3)16(22)19(14)2/h5-8H,9H2,1-4H3
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n/an/a 8.42E+3n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected insect cells using kynuramine as substrate after 20 mins by fluorescence spec...


Bioorg Med Chem 20: 4336-47 (2012)


Article DOI: 10.1016/j.bmc.2012.05.048
BindingDB Entry DOI: 10.7270/Q2251KGN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50420984
PNG
(CHEMBL2088307)
Show SMILES Cn1c(COc2ccc(Br)cc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C15H15BrN4O3/c1-18-11(8-23-10-6-4-9(16)5-7-10)17-13-12(18)14(21)20(3)15(22)19(13)2/h4-7H,8H2,1-3H3
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n/an/a 1.07E+4n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus infected insect cells using kynuramine as substrate after 20 mins by horseradish perox...


Bioorg Med Chem 20: 4336-47 (2012)


Article DOI: 10.1016/j.bmc.2012.05.048
BindingDB Entry DOI: 10.7270/Q2251KGN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50420980
PNG
(CHEMBL2088302)
Show SMILES Cn1c(COc2cccc(F)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C15H15FN4O3/c1-18-11(8-23-10-6-4-5-9(16)7-10)17-13-12(18)14(21)20(3)15(22)19(13)2/h4-7H,8H2,1-3H3
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n/an/a 1.32E+4n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus infected insect cells using kynuramine as substrate after 20 mins by horseradish perox...


Bioorg Med Chem 20: 4336-47 (2012)


Article DOI: 10.1016/j.bmc.2012.05.048
BindingDB Entry DOI: 10.7270/Q2251KGN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50420976
PNG
(CHEMBL2088313)
Show SMILES Cc1cccc(SCc2nc3n(C)c(=O)n(C)c(=O)c3n2C)c1
Show InChI InChI=1S/C16H18N4O2S/c1-10-6-5-7-11(8-10)23-9-12-17-14-13(18(12)2)15(21)20(4)16(22)19(14)3/h5-8H,9H2,1-4H3
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n/an/a 1.79E+4n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected insect cells using kynuramine as substrate after 20 mins by fluorescence spec...


Bioorg Med Chem 20: 4336-47 (2012)


Article DOI: 10.1016/j.bmc.2012.05.048
BindingDB Entry DOI: 10.7270/Q2251KGN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50420969
PNG
(CHEMBL2088315)
Show SMILES CCOc1cccc(SCc2nc3n(C)c(=O)n(C)c(=O)c3n2C)c1
Show InChI InChI=1S/C17H20N4O3S/c1-5-24-11-7-6-8-12(9-11)25-10-13-18-15-14(19(13)2)16(22)21(4)17(23)20(15)3/h6-9H,5,10H2,1-4H3
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n/an/a 1.84E+4n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected insect cells using kynuramine as substrate after 20 mins by fluorescence spec...


Bioorg Med Chem 20: 4336-47 (2012)


Article DOI: 10.1016/j.bmc.2012.05.048
BindingDB Entry DOI: 10.7270/Q2251KGN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50420982
PNG
(CHEMBL2088304)
Show SMILES Cc1cccc(OCc2nc3n(C)c(=O)n(C)c(=O)c3n2C)c1
Show InChI InChI=1S/C16H18N4O3/c1-10-6-5-7-11(8-10)23-9-12-17-14-13(18(12)2)15(21)20(4)16(22)19(14)3/h5-8H,9H2,1-4H3
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n/an/a 1.88E+4n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus infected insect cells using kynuramine as substrate after 20 mins by horseradish perox...


Bioorg Med Chem 20: 4336-47 (2012)


Article DOI: 10.1016/j.bmc.2012.05.048
BindingDB Entry DOI: 10.7270/Q2251KGN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50420973
PNG
(CHEMBL2088310)
Show SMILES Cn1c(CSc2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C15H15ClN4O2S/c1-18-11(8-23-10-6-4-5-9(16)7-10)17-13-12(18)14(21)20(3)15(22)19(13)2/h4-7H,8H2,1-3H3
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n/an/a 1.94E+4n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus infected insect cells using kynuramine as substrate after 20 mins by fluorescence spec...


Bioorg Med Chem 20: 4336-47 (2012)


Article DOI: 10.1016/j.bmc.2012.05.048
BindingDB Entry DOI: 10.7270/Q2251KGN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50420983
PNG
(CHEMBL2088306)
Show SMILES Cn1c(COc2ccc(Cl)cc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C15H15ClN4O3/c1-18-11(8-23-10-6-4-9(16)5-7-10)17-13-12(18)14(21)20(3)15(22)19(13)2/h4-7H,8H2,1-3H3
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n/an/a 2.04E+4n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus infected insect cells using kynuramine as substrate after 20 mins by horseradish perox...


Bioorg Med Chem 20: 4336-47 (2012)


Article DOI: 10.1016/j.bmc.2012.05.048
BindingDB Entry DOI: 10.7270/Q2251KGN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50420971
PNG
(CHEMBL2088317)
Show SMILES Cn1c(CSc2ccc(Br)cc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C15H15BrN4O2S/c1-18-11(8-23-10-6-4-9(16)5-7-10)17-13-12(18)14(21)20(3)15(22)19(13)2/h4-7H,8H2,1-3H3
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n/an/a 2.08E+4n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus infected insect cells using kynuramine as substrate after 20 mins by fluorescence spec...


Bioorg Med Chem 20: 4336-47 (2012)


Article DOI: 10.1016/j.bmc.2012.05.048
BindingDB Entry DOI: 10.7270/Q2251KGN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50420978
PNG
(8-Phenoxymethylcaffeine (8a) | CHEMBL2088299)
Show SMILES Cn1c(COc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C15H16N4O3/c1-17-11(9-22-10-7-5-4-6-8-10)16-13-12(17)14(20)19(3)15(21)18(13)2/h4-8H,9H2,1-3H3
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n/an/a 2.11E+4n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus infected insect cells using kynuramine as substrate after 20 mins by horseradish perox...


Bioorg Med Chem 20: 4336-47 (2012)


Article DOI: 10.1016/j.bmc.2012.05.048
BindingDB Entry DOI: 10.7270/Q2251KGN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50420975
PNG
(CHEMBL2088312)
Show SMILES Cn1c(CSc2cccc(F)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C15H15FN4O2S/c1-18-11(8-23-10-6-4-5-9(16)7-10)17-13-12(18)14(21)20(3)15(22)19(13)2/h4-7H,8H2,1-3H3
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n/an/a 2.23E+4n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected insect cells using kynuramine as substrate after 20 mins by fluorescence spec...


Bioorg Med Chem 20: 4336-47 (2012)


Article DOI: 10.1016/j.bmc.2012.05.048
BindingDB Entry DOI: 10.7270/Q2251KGN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50420972
PNG
(CHEMBL2088309)
Show SMILES Cn1c(CSc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C15H16N4O2S/c1-17-11(9-22-10-7-5-4-6-8-10)16-13-12(17)14(20)19(3)15(21)18(13)2/h4-8H,9H2,1-3H3
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n/an/a 2.34E+4n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected insect cells using kynuramine as substrate after 20 mins by fluorescence spec...


Bioorg Med Chem 20: 4336-47 (2012)


Article DOI: 10.1016/j.bmc.2012.05.048
BindingDB Entry DOI: 10.7270/Q2251KGN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50420974
PNG
(CHEMBL2088311)
Show SMILES Cn1c(CSc2cccc(Br)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C15H15BrN4O2S/c1-18-11(8-23-10-6-4-5-9(16)7-10)17-13-12(18)14(21)20(3)15(22)19(13)2/h4-7H,8H2,1-3H3
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n/an/a 2.38E+4n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus infected insect cells using kynuramine as substrate after 20 mins by fluorescence spec...


Bioorg Med Chem 20: 4336-47 (2012)


Article DOI: 10.1016/j.bmc.2012.05.048
BindingDB Entry DOI: 10.7270/Q2251KGN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50420970
PNG
(CHEMBL2088316)
Show SMILES Cn1c(CSc2ccc(Cl)cc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C15H15ClN4O2S/c1-18-11(8-23-10-6-4-9(16)5-7-10)17-13-12(18)14(21)20(3)15(22)19(13)2/h4-7H,8H2,1-3H3
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n/an/a 3.16E+4n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus infected insect cells using kynuramine as substrate after 20 mins by fluorescence spec...


Bioorg Med Chem 20: 4336-47 (2012)


Article DOI: 10.1016/j.bmc.2012.05.048
BindingDB Entry DOI: 10.7270/Q2251KGN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50420979
PNG
(CHEMBL2088301)
Show SMILES Cn1c(COc2cccc(Br)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C15H15BrN4O3/c1-18-11(8-23-10-6-4-5-9(16)7-10)17-13-12(18)14(21)20(3)15(22)19(13)2/h4-7H,8H2,1-3H3
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n/an/a 3.40E+4n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus infected insect cells using kynuramine as substrate after 20 mins by horseradish perox...


Bioorg Med Chem 20: 4336-47 (2012)


Article DOI: 10.1016/j.bmc.2012.05.048
BindingDB Entry DOI: 10.7270/Q2251KGN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50420977
PNG
(CHEMBL2088314)
Show SMILES COc1cccc(SCc2nc3n(C)c(=O)n(C)c(=O)c3n2C)c1
Show InChI InChI=1S/C16H18N4O3S/c1-18-12(9-24-11-7-5-6-10(8-11)23-4)17-14-13(18)15(21)20(3)16(22)19(14)2/h5-8H,9H2,1-4H3
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n/an/a 4.13E+4n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus infected insect cells using kynuramine as substrate after 20 mins by fluorescence spec...


Bioorg Med Chem 20: 4336-47 (2012)


Article DOI: 10.1016/j.bmc.2012.05.048
BindingDB Entry DOI: 10.7270/Q2251KGN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50420969
PNG
(CHEMBL2088315)
Show SMILES CCOc1cccc(SCc2nc3n(C)c(=O)n(C)c(=O)c3n2C)c1
Show InChI InChI=1S/C17H20N4O3S/c1-5-24-11-7-6-8-12(9-11)25-10-13-18-15-14(19(13)2)16(22)21(4)17(23)20(15)3/h6-9H,5,10H2,1-4H3
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n/an/a 4.47E+4n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus infected insect cells using kynuramine as substrate after 20 mins by fluorescence spec...


Bioorg Med Chem 20: 4336-47 (2012)


Article DOI: 10.1016/j.bmc.2012.05.048
BindingDB Entry DOI: 10.7270/Q2251KGN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50420975
PNG
(CHEMBL2088312)
Show SMILES Cn1c(CSc2cccc(F)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C15H15FN4O2S/c1-18-11(8-23-10-6-4-5-9(16)7-10)17-13-12(18)14(21)20(3)15(22)19(13)2/h4-7H,8H2,1-3H3
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n/an/a 5.01E+4n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus infected insect cells using kynuramine as substrate after 20 mins by fluorescence spec...


Bioorg Med Chem 20: 4336-47 (2012)


Article DOI: 10.1016/j.bmc.2012.05.048
BindingDB Entry DOI: 10.7270/Q2251KGN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50420976
PNG
(CHEMBL2088313)
Show SMILES Cc1cccc(SCc2nc3n(C)c(=O)n(C)c(=O)c3n2C)c1
Show InChI InChI=1S/C16H18N4O2S/c1-10-6-5-7-11(8-10)23-9-12-17-14-13(18(12)2)15(21)20(4)16(22)19(14)3/h5-8H,9H2,1-4H3
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n/an/a 5.18E+4n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus infected insect cells using kynuramine as substrate after 20 mins by fluorescence spec...


Bioorg Med Chem 20: 4336-47 (2012)


Article DOI: 10.1016/j.bmc.2012.05.048
BindingDB Entry DOI: 10.7270/Q2251KGN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50420987
PNG
(CHEMBL2088320)
Show SMILES Cn1c(CCSc2cccc(Br)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H17BrN4O2S/c1-19-12(7-8-24-11-6-4-5-10(17)9-11)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-6,9H,7-8H2,1-3H3
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n/an/a 6.41E+4n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected insect cells using kynuramine as substrate after 20 mins by horseradish perox...


Bioorg Med Chem 20: 4336-47 (2012)


Article DOI: 10.1016/j.bmc.2012.05.048
BindingDB Entry DOI: 10.7270/Q2251KGN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50420972
PNG
(CHEMBL2088309)
Show SMILES Cn1c(CSc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C15H16N4O2S/c1-17-11(9-22-10-7-5-4-6-8-10)16-13-12(17)14(20)19(3)15(21)18(13)2/h4-8H,9H2,1-3H3
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n/an/a 6.62E+4n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus infected insect cells using kynuramine as substrate after 20 mins by fluorescence spec...


Bioorg Med Chem 20: 4336-47 (2012)


Article DOI: 10.1016/j.bmc.2012.05.048
BindingDB Entry DOI: 10.7270/Q2251KGN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50420986
PNG
(CHEMBL2088318)
Show SMILES Cn1c(CCSc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H18N4O2S/c1-18-12(9-10-23-11-7-5-4-6-8-11)17-14-13(18)15(21)20(3)16(22)19(14)2/h4-8H,9-10H2,1-3H3
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n/an/a 1.08E+5n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected insect cells using kynuramine as substrate after 20 mins by horseradish perox...


Bioorg Med Chem 20: 4336-47 (2012)


Article DOI: 10.1016/j.bmc.2012.05.048
BindingDB Entry DOI: 10.7270/Q2251KGN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50420989
PNG
(CHEMBL2088322)
Show SMILES Cn1c(CCSc2ccc(Br)cc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H17BrN4O2S/c1-19-12(8-9-24-11-6-4-10(17)5-7-11)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-7H,8-9H2,1-3H3
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n/an/a 1.17E+5n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus infected insect cells using kynuramine as substrate after 20 mins by horseradish perox...


Bioorg Med Chem 20: 4336-47 (2012)


Article DOI: 10.1016/j.bmc.2012.05.048
BindingDB Entry DOI: 10.7270/Q2251KGN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50420989
PNG
(CHEMBL2088322)
Show SMILES Cn1c(CCSc2ccc(Br)cc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H17BrN4O2S/c1-19-12(8-9-24-11-6-4-10(17)5-7-11)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-7H,8-9H2,1-3H3
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n/an/a 1.24E+5n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected insect cells using kynuramine as substrate after 20 mins by horseradish perox...


Bioorg Med Chem 20: 4336-47 (2012)


Article DOI: 10.1016/j.bmc.2012.05.048
BindingDB Entry DOI: 10.7270/Q2251KGN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50420986
PNG
(CHEMBL2088318)
Show SMILES Cn1c(CCSc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H18N4O2S/c1-18-12(9-10-23-11-7-5-4-6-8-11)17-14-13(18)15(21)20(3)16(22)19(14)2/h4-8H,9-10H2,1-3H3
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PubMed
n/an/a 1.39E+5n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus infected insect cells using kynuramine as substrate after 20 mins by horseradish perox...


Bioorg Med Chem 20: 4336-47 (2012)


Article DOI: 10.1016/j.bmc.2012.05.048
BindingDB Entry DOI: 10.7270/Q2251KGN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50420988
PNG
(CHEMBL2088321)
Show SMILES Cn1c(CCSc2ccc(Cl)cc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H17ClN4O2S/c1-19-12(8-9-24-11-6-4-10(17)5-7-11)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-7H,8-9H2,1-3H3
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antibodypedia
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PubMed
n/an/a 1.42E+5n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus infected insect cells using kynuramine as substrate after 20 mins by horseradish perox...


Bioorg Med Chem 20: 4336-47 (2012)


Article DOI: 10.1016/j.bmc.2012.05.048
BindingDB Entry DOI: 10.7270/Q2251KGN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50420987
PNG
(CHEMBL2088320)
Show SMILES Cn1c(CCSc2cccc(Br)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H17BrN4O2S/c1-19-12(7-8-24-11-6-4-5-10(17)9-11)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-6,9H,7-8H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.72E+5n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus infected insect cells using kynuramine as substrate after 20 mins by horseradish perox...


Bioorg Med Chem 20: 4336-47 (2012)


Article DOI: 10.1016/j.bmc.2012.05.048
BindingDB Entry DOI: 10.7270/Q2251KGN
More data for this
Ligand-Target Pair