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PubMed code 22225638

Compile data set for download or QSAR
Found 18 hits of Enzyme Inhibition Constant Data   
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))		BDBM50363407
PNG
(CHEMBL1946826)
Show SMILES CN(C)c1ccc(\C=C2/Oc3ccccc3C2=O)cc1
Show InChI InChI=1S/C17H15NO2/c1-18(2)13-9-7-12(8-10-13)11-16-17(19)14-5-3-4-6-15(14)20-16/h3-11H,1-2H3/b16-11-
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n/an/a 99n/an/an/an/an/an/a



Northeast Ohio Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB using kynuramine as substrate by fluorimetry

Bioorg Med Chem Lett 22: 1380-3 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.056
BindingDB Entry DOI: 10.7270/Q2J67HDW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM26645
PNG
((5Z)-5-[(4-bromophenyl)methylidene]-1,3-thiazolidi...)
Show SMILES OC1=NC(=O)C(S1)=Cc1ccc(Br)cc1 |w:7.8,t:1|
Show InChI InChI=1S/C10H6BrNO2S/c11-7-3-1-6(2-4-7)5-8-9(13)12-10(14)15-8/h1-5H,(H,12,13,14)
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n/an/a 228n/an/an/an/an/an/a



Northeast Ohio Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB using kynuramine as substrate by fluorimetry

Bioorg Med Chem Lett 22: 1380-3 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.056
BindingDB Entry DOI: 10.7270/Q2J67HDW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50363409
PNG
(CHEMBL1946828)
Show SMILES CN(C)c1ccc(\C=C2/Oc3cc(O)ccc3C2=O)cc1
Show InChI InChI=1S/C17H15NO3/c1-18(2)12-5-3-11(4-6-12)9-16-17(20)14-8-7-13(19)10-15(14)21-16/h3-10,19H,1-2H3/b16-9-
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n/an/a 242n/an/an/an/an/an/a



Northeast Ohio Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB using kynuramine as substrate by fluorimetry

Bioorg Med Chem Lett 22: 1380-3 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.056
BindingDB Entry DOI: 10.7270/Q2J67HDW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50363407
PNG
(CHEMBL1946826)
Show SMILES CN(C)c1ccc(\C=C2/Oc3ccccc3C2=O)cc1
Show InChI InChI=1S/C17H15NO2/c1-18(2)13-9-7-12(8-10-13)11-16-17(19)14-5-3-4-6-15(14)20-16/h3-11H,1-2H3/b16-11-
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n/an/a 268n/an/an/an/an/an/a



Northeast Ohio Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA using kynuramine as substrate by fluorimetry

Bioorg Med Chem Lett 22: 1380-3 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.056
BindingDB Entry DOI: 10.7270/Q2J67HDW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50363411
PNG
(CHEMBL596254)
Show SMILES Clc1ccc(\C=C2/Oc3ccccc3C2=O)cc1
Show InChI InChI=1S/C15H9ClO2/c16-11-7-5-10(6-8-11)9-14-15(17)12-3-1-2-4-13(12)18-14/h1-9H/b14-9-
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n/an/a 305n/an/an/an/an/an/a



Northeast Ohio Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB using kynuramine as substrate by fluorimetry

Bioorg Med Chem Lett 22: 1380-3 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.056
BindingDB Entry DOI: 10.7270/Q2J67HDW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50363411
PNG
(CHEMBL596254)
Show SMILES Clc1ccc(\C=C2/Oc3ccccc3C2=O)cc1
Show InChI InChI=1S/C15H9ClO2/c16-11-7-5-10(6-8-11)9-14-15(17)12-3-1-2-4-13(12)18-14/h1-9H/b14-9-
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n/an/a 709n/an/an/an/an/an/a



Northeast Ohio Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA using kynuramine as substrate by fluorimetry

Bioorg Med Chem Lett 22: 1380-3 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.056
BindingDB Entry DOI: 10.7270/Q2J67HDW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50363405
PNG
(CHEMBL1946644)
Show SMILES CCOC1CC(=NN1c1ccc(cc1)[N+]([O-])=O)c1ccccc1 |c:5|
Show InChI InChI=1S/C17H17N3O3/c1-2-23-17-12-16(13-6-4-3-5-7-13)18-19(17)14-8-10-15(11-9-14)20(21)22/h3-11,17H,2,12H2,1H3
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n/an/a 921n/an/an/an/an/an/a



Northeast Ohio Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB using kynuramine as substrate by fluorimetry

Bioorg Med Chem Lett 22: 1380-3 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.056
BindingDB Entry DOI: 10.7270/Q2J67HDW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50363409
PNG
(CHEMBL1946828)
Show SMILES CN(C)c1ccc(\C=C2/Oc3cc(O)ccc3C2=O)cc1
Show InChI InChI=1S/C17H15NO3/c1-18(2)12-5-3-11(4-6-12)9-16-17(20)14-8-7-13(19)10-15(14)21-16/h3-10,19H,1-2H3/b16-9-
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n/an/a 979n/an/an/an/an/an/a



Northeast Ohio Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA using kynuramine as substrate by fluorimetry

Bioorg Med Chem Lett 22: 1380-3 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.056
BindingDB Entry DOI: 10.7270/Q2J67HDW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM49448
PNG
(MLS000534832 | N-(4-methoxyphenyl)-1-indolinecarbo...)
Show SMILES COc1ccc(NC(=O)N2CCc3ccccc23)cc1
Show InChI InChI=1S/C16H16N2O2/c1-20-14-8-6-13(7-9-14)17-16(19)18-11-10-12-4-2-3-5-15(12)18/h2-9H,10-11H2,1H3,(H,17,19)
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n/an/a 2.62E+3n/an/an/an/an/an/a



Northeast Ohio Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB using kynuramine as substrate by fluorimetry

Bioorg Med Chem Lett 22: 1380-3 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.056
BindingDB Entry DOI: 10.7270/Q2J67HDW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50363408
PNG
(CHEMBL1946827)
Show SMILES Cc1ccc2C(=O)\C(Oc2c1)=C\c1ccccc1
Show InChI InChI=1S/C16H12O2/c1-11-7-8-13-14(9-11)18-15(16(13)17)10-12-5-3-2-4-6-12/h2-10H,1H3/b15-10-
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n/an/a 3.35E+3n/an/an/an/an/an/a



Northeast Ohio Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB using kynuramine as substrate by fluorimetry

Bioorg Med Chem Lett 22: 1380-3 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.056
BindingDB Entry DOI: 10.7270/Q2J67HDW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50363405
PNG
(CHEMBL1946644)
Show SMILES CCOC1CC(=NN1c1ccc(cc1)[N+]([O-])=O)c1ccccc1 |c:5|
Show InChI InChI=1S/C17H17N3O3/c1-2-23-17-12-16(13-6-4-3-5-7-13)18-19(17)14-8-10-15(11-9-14)20(21)22/h3-11,17H,2,12H2,1H3
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n/an/a 5.36E+3n/an/an/an/an/an/a



Northeast Ohio Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA using kynuramine as substrate by fluorimetry

Bioorg Med Chem Lett 22: 1380-3 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.056
BindingDB Entry DOI: 10.7270/Q2J67HDW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50363410
PNG
(CHEMBL1172318)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccccc1O
Show InChI InChI=1S/C15H10O4/c16-10-5-6-11-13(8-10)19-14(15(11)18)7-9-3-1-2-4-12(9)17/h1-8,16-17H/b14-7-
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n/an/a 1.16E+4n/an/an/an/an/an/a



Northeast Ohio Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB using kynuramine as substrate by fluorimetry

Bioorg Med Chem Lett 22: 1380-3 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.056
BindingDB Entry DOI: 10.7270/Q2J67HDW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50363406
PNG
(CHEMBL1946645)
Show SMILES Cc1[nH]n(-c2ccccc2)c(=O)c1C=NNC(=O)c1cccnc1 |w:14.16|
Show InChI InChI=1S/C17H15N5O2/c1-12-15(11-19-20-16(23)13-6-5-9-18-10-13)17(24)22(21-12)14-7-3-2-4-8-14/h2-11,21H,1H3,(H,20,23)
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n/an/a 1.33E+4n/an/an/an/an/an/a



Northeast Ohio Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB using kynuramine as substrate by fluorimetry

Bioorg Med Chem Lett 22: 1380-3 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.056
BindingDB Entry DOI: 10.7270/Q2J67HDW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50363410
PNG
(CHEMBL1172318)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccccc1O
Show InChI InChI=1S/C15H10O4/c16-10-5-6-11-13(8-10)19-14(15(11)18)7-9-3-1-2-4-12(9)17/h1-8,16-17H/b14-7-
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n/an/a 1.77E+4n/an/an/an/an/an/a



Northeast Ohio Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA using kynuramine as substrate by fluorimetry

Bioorg Med Chem Lett 22: 1380-3 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.056
BindingDB Entry DOI: 10.7270/Q2J67HDW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50363408
PNG
(CHEMBL1946827)
Show SMILES Cc1ccc2C(=O)\C(Oc2c1)=C\c1ccccc1
Show InChI InChI=1S/C16H12O2/c1-11-7-8-13-14(9-11)18-15(16(13)17)10-12-5-3-2-4-6-12/h2-10H,1H3/b15-10-
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n/an/a 4.02E+4n/an/an/an/an/an/a



Northeast Ohio Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA using kynuramine as substrate by fluorimetry

Bioorg Med Chem Lett 22: 1380-3 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.056
BindingDB Entry DOI: 10.7270/Q2J67HDW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM26645
PNG
((5Z)-5-[(4-bromophenyl)methylidene]-1,3-thiazolidi...)
Show SMILES OC1=NC(=O)C(S1)=Cc1ccc(Br)cc1 |w:7.8,t:1|
Show InChI InChI=1S/C10H6BrNO2S/c11-7-3-1-6(2-4-7)5-8-9(13)12-10(14)15-8/h1-5H,(H,12,13,14)
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n/an/a 4.35E+4n/an/an/an/an/an/a



Northeast Ohio Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA using kynuramine as substrate by fluorimetry

Bioorg Med Chem Lett 22: 1380-3 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.056
BindingDB Entry DOI: 10.7270/Q2J67HDW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50363406
PNG
(CHEMBL1946645)
Show SMILES Cc1[nH]n(-c2ccccc2)c(=O)c1C=NNC(=O)c1cccnc1 |w:14.16|
Show InChI InChI=1S/C17H15N5O2/c1-12-15(11-19-20-16(23)13-6-5-9-18-10-13)17(24)22(21-12)14-7-3-2-4-8-14/h2-11,21H,1H3,(H,20,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Northeast Ohio Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA using kynuramine as substrate by fluorimetry

Bioorg Med Chem Lett 22: 1380-3 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.056
BindingDB Entry DOI: 10.7270/Q2J67HDW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM49448
PNG
(MLS000534832 | N-(4-methoxyphenyl)-1-indolinecarbo...)
Show SMILES COc1ccc(NC(=O)N2CCc3ccccc23)cc1
Show InChI InChI=1S/C16H16N2O2/c1-20-14-8-6-13(7-9-14)17-16(19)18-11-10-12-4-2-3-5-15(12)18/h2-9H,10-11H2,1H3,(H,17,19)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Northeast Ohio Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA using kynuramine as substrate by fluorimetry

Bioorg Med Chem Lett 22: 1380-3 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.056
BindingDB Entry DOI: 10.7270/Q2J67HDW
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%