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PubMed code 21742494

Compile data set for download or QSAR
Found 44 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))		BDBM50169955
PNG
(3-(2-Amino-ethyl)-5-[1-(4-ethoxy-phenyl)-meth-(Z)-...)
Show SMILES CCOc1ccc(\C=C2/SC(=O)N(CCN)C2=O)cc1
Show InChI InChI=1S/C14H16N2O3S/c1-2-19-11-5-3-10(4-6-11)9-12-13(17)16(8-7-15)14(18)20-12/h3-6,9H,2,7-8,15H2,1H3/b12-9-
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n/an/a 82n/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB by amplex red assay

Bioorg Med Chem Lett 21: 4798-803 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.060
BindingDB Entry DOI: 10.7270/Q2GX4CKZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50324737
PNG
(3-(2-aminoethyl)-5-(4-(dimethylamino)benzylidene)t...)
Show SMILES CN(C)c1ccc(\C=C2/SC(=O)N(CCN)C2=O)cc1
Show InChI InChI=1S/C14H17N3O2S/c1-16(2)11-5-3-10(4-6-11)9-12-13(18)17(8-7-15)14(19)20-12/h3-6,9H,7-8,15H2,1-2H3/b12-9-
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n/an/a 195n/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB by amplex red assay

Bioorg Med Chem Lett 21: 4798-803 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.060
BindingDB Entry DOI: 10.7270/Q2GX4CKZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50350498
PNG
(CHEMBL1814650)
Show SMILES CN1C(=S)S\C(=C\c2ccccc2)C1=O
Show InChI InChI=1S/C11H9NOS2/c1-12-10(13)9(15-11(12)14)7-8-5-3-2-4-6-8/h2-7H,1H3/b9-7+
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n/an/a 520n/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA assessed as inhibition of kynuramine conversion to fluorescent metabolite 4-hydroxyquinoline by fluorimetry

Bioorg Med Chem Lett 21: 4798-803 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.060
BindingDB Entry DOI: 10.7270/Q2GX4CKZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50350503
PNG
(CHEMBL1814645)
Show SMILES CCCN1C(=S)S\C(=C\c2ccncc2)C1=O
Show InChI InChI=1S/C12H12N2OS2/c1-2-7-14-11(15)10(17-12(14)16)8-9-3-5-13-6-4-9/h3-6,8H,2,7H2,1H3/b10-8+
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n/an/a 800n/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB by amplex red assay

Bioorg Med Chem Lett 21: 4798-803 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.060
BindingDB Entry DOI: 10.7270/Q2GX4CKZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50350493
PNG
(CHEMBL1814644)
Show SMILES OC1=NC(=O)C(S1)=Cc1cc(Br)c(O)c(Br)c1 |w:7.8,t:1|
Show InChI InChI=1S/C10H5Br2NO3S/c11-5-1-4(2-6(12)8(5)14)3-7-9(15)13-10(16)17-7/h1-3,14H,(H,13,15,16)
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n/an/a 1.02E+3n/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB by amplex red assay

Bioorg Med Chem Lett 21: 4798-803 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.060
BindingDB Entry DOI: 10.7270/Q2GX4CKZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50169955
PNG
(3-(2-Amino-ethyl)-5-[1-(4-ethoxy-phenyl)-meth-(Z)-...)
Show SMILES CCOc1ccc(\C=C2/SC(=O)N(CCN)C2=O)cc1
Show InChI InChI=1S/C14H16N2O3S/c1-2-19-11-5-3-10(4-6-11)9-12-13(17)16(8-7-15)14(18)20-12/h3-6,9H,2,7-8,15H2,1H3/b12-9-
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n/an/a 1.04E+3n/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA assessed as inhibition of kynuramine conversion to fluorescent metabolite 4-hydroxyquinoline by fluorimetry

Bioorg Med Chem Lett 21: 4798-803 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.060
BindingDB Entry DOI: 10.7270/Q2GX4CKZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50324738
PNG
(3-(5-benzylidene-2,4-dioxothiazolidin-3-yl)propane...)
Show SMILES O=C1S\C(=C/c2ccccc2)C(=O)N1CCC#N
Show InChI InChI=1S/C13H10N2O2S/c14-7-4-8-15-12(16)11(18-13(15)17)9-10-5-2-1-3-6-10/h1-3,5-6,9H,4,8H2/b11-9-
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n/an/a 2.29E+3n/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB by amplex red assay

Bioorg Med Chem Lett 21: 4798-803 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.060
BindingDB Entry DOI: 10.7270/Q2GX4CKZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50350486
PNG
(CHEMBL602048)
Show SMILES CC(C)(C)c1cc(Cc2sc(=O)[nH]c2O)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C18H25NO3S/c1-17(2,3)11-7-10(8-12(14(11)20)18(4,5)6)9-13-15(21)19-16(22)23-13/h7-8,20-21H,9H2,1-6H3,(H,19,22)
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n/an/a 2.38E+3n/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB by amplex red assay

Bioorg Med Chem Lett 21: 4798-803 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.060
BindingDB Entry DOI: 10.7270/Q2GX4CKZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50340098
PNG
(5-(4-hydroxy-3-methoxybenzylidene)-2-thioxothiazol...)
Show SMILES COc1cc(C=C2SC(S)=NC2=O)ccc1O |w:5.4,c:9|
Show InChI InChI=1S/C11H9NO3S2/c1-15-8-4-6(2-3-7(8)13)5-9-10(14)12-11(16)17-9/h2-5,13H,1H3,(H,12,14,16)
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n/an/a 2.49E+3n/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB by amplex red assay

Bioorg Med Chem Lett 21: 4798-803 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.060
BindingDB Entry DOI: 10.7270/Q2GX4CKZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50324738
PNG
(3-(5-benzylidene-2,4-dioxothiazolidin-3-yl)propane...)
Show SMILES O=C1S\C(=C/c2ccccc2)C(=O)N1CCC#N
Show InChI InChI=1S/C13H10N2O2S/c14-7-4-8-15-12(16)11(18-13(15)17)9-10-5-2-1-3-6-10/h1-3,5-6,9H,4,8H2/b11-9-
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n/an/a 3.49E+3n/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA assessed as inhibition of kynuramine conversion to fluorescent metabolite 4-hydroxyquinoline by fluorimetry

Bioorg Med Chem Lett 21: 4798-803 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.060
BindingDB Entry DOI: 10.7270/Q2GX4CKZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM26646
PNG
((5Z)-5-[(3-bromophenyl)methylidene]-1,3-thiazolidi...)
Show SMILES OC1=NC(=O)C(S1)=Cc1cccc(Br)c1 |w:7.8,t:1|
Show InChI InChI=1S/C10H6BrNO2S/c11-7-3-1-2-6(4-7)5-8-9(13)12-10(14)15-8/h1-5H,(H,12,13,14)
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n/an/a 6.07E+3n/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB by amplex red assay

Bioorg Med Chem Lett 21: 4798-803 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.060
BindingDB Entry DOI: 10.7270/Q2GX4CKZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50324737
PNG
(3-(2-aminoethyl)-5-(4-(dimethylamino)benzylidene)t...)
Show SMILES CN(C)c1ccc(\C=C2/SC(=O)N(CCN)C2=O)cc1
Show InChI InChI=1S/C14H17N3O2S/c1-16(2)11-5-3-10(4-6-11)9-12-13(18)17(8-7-15)14(19)20-12/h3-6,9H,7-8,15H2,1-2H3/b12-9-
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n/an/a 6.88E+3n/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA assessed as inhibition of kynuramine conversion to fluorescent metabolite 4-hydroxyquinoline by fluorimetry

Bioorg Med Chem Lett 21: 4798-803 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.060
BindingDB Entry DOI: 10.7270/Q2GX4CKZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50350498
PNG
(CHEMBL1814650)
Show SMILES CN1C(=S)S\C(=C\c2ccccc2)C1=O
Show InChI InChI=1S/C11H9NOS2/c1-12-10(13)9(15-11(12)14)7-8-5-3-2-4-6-8/h2-7H,1H3/b9-7+
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n/an/a 1.05E+4n/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB by amplex red assay

Bioorg Med Chem Lett 21: 4798-803 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.060
BindingDB Entry DOI: 10.7270/Q2GX4CKZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50350503
PNG
(CHEMBL1814645)
Show SMILES CCCN1C(=S)S\C(=C\c2ccncc2)C1=O
Show InChI InChI=1S/C12H12N2OS2/c1-2-7-14-11(15)10(17-12(14)16)8-9-3-5-13-6-4-9/h3-6,8H,2,7H2,1H3/b10-8+
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n/an/a 1.06E+4n/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA assessed as inhibition of kynuramine conversion to fluorescent metabolite 4-hydroxyquinoline by fluorimetry

Bioorg Med Chem Lett 21: 4798-803 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.060
BindingDB Entry DOI: 10.7270/Q2GX4CKZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50350489
PNG
(CHEMBL1814637)
Show SMILES OC1=NC(=O)C(S1)=CC(=O)Nc1cccc(O)c1 |w:7.8,t:1|
Show InChI InChI=1S/C11H8N2O4S/c14-7-3-1-2-6(4-7)12-9(15)5-8-10(16)13-11(17)18-8/h1-5,14H,(H,12,15)(H,13,16,17)
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n/an/a 1.10E+4n/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB by amplex red assay

Bioorg Med Chem Lett 21: 4798-803 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.060
BindingDB Entry DOI: 10.7270/Q2GX4CKZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50350501
PNG
(CHEMBL1814642)
Show SMILES OC1=NC(=O)C(S1)=Cc1ccncc1 |w:7.8,t:1|
Show InChI InChI=1S/C9H6N2O2S/c12-8-7(14-9(13)11-8)5-6-1-3-10-4-2-6/h1-5H,(H,11,12,13)
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n/an/a 1.30E+4n/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA assessed as inhibition of kynuramine conversion to fluorescent metabolite 4-hydroxyquinoline by fluorimetry

Bioorg Med Chem Lett 21: 4798-803 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.060
BindingDB Entry DOI: 10.7270/Q2GX4CKZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50324735
PNG
((5E)-5-(QUINOXALIN-6-YLMETHYLENE)-1,3-THIAZOLIDINE...)
Show SMILES OC1=NC(=O)C(S1)=Cc1ccc2nccnc2c1 |w:7.8,t:1|
Show InChI InChI=1S/C12H7N3O2S/c16-11-10(18-12(17)15-11)6-7-1-2-8-9(5-7)14-4-3-13-8/h1-6H,(H,15,16,17)
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n/an/a 1.30E+4n/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB by amplex red assay

Bioorg Med Chem Lett 21: 4798-803 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.060
BindingDB Entry DOI: 10.7270/Q2GX4CKZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50350487
PNG
(CHEMBL1814635)
Show SMILES Cc1cc(Cc2sc(=O)[nH]c2O)cc(C)c1O
Show InChI InChI=1S/C12H13NO3S/c1-6-3-8(4-7(2)10(6)14)5-9-11(15)13-12(16)17-9/h3-4,14-15H,5H2,1-2H3,(H,13,16)
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n/an/a 1.61E+4n/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB by amplex red assay

Bioorg Med Chem Lett 21: 4798-803 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.060
BindingDB Entry DOI: 10.7270/Q2GX4CKZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50350504
PNG
(CHEMBL1814639)
Show SMILES SC1=NC(=O)C(S1)=Cc1ccncc1 |w:7.8,t:1|
Show InChI InChI=1S/C9H6N2OS2/c12-8-7(14-9(13)11-8)5-6-1-3-10-4-2-6/h1-5H,(H,11,12,13)
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n/an/a 2.18E+4n/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA assessed as inhibition of kynuramine conversion to fluorescent metabolite 4-hydroxyquinoline by fluorimetry

Bioorg Med Chem Lett 21: 4798-803 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.060
BindingDB Entry DOI: 10.7270/Q2GX4CKZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50350497
PNG
(CHEMBL1814649)
Show SMILES OC1=NC(=O)C(S1)=CC(=O)Nc1ccccc1 |w:7.8,t:1|
Show InChI InChI=1S/C11H8N2O3S/c14-9(12-7-4-2-1-3-5-7)6-8-10(15)13-11(16)17-8/h1-6H,(H,12,14)(H,13,15,16)
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n/an/a 2.20E+4n/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB by amplex red assay

Bioorg Med Chem Lett 21: 4798-803 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.060
BindingDB Entry DOI: 10.7270/Q2GX4CKZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50350491
PNG
(CHEMBL1814641)
Show SMILES Nc1nc(O)c(Cc2ccccc2)s1
Show InChI InChI=1S/C10H10N2OS/c11-10-12-9(13)8(14-10)6-7-4-2-1-3-5-7/h1-5,13H,6H2,(H2,11,12)
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n/an/a 2.41E+4n/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB by amplex red assay

Bioorg Med Chem Lett 21: 4798-803 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.060
BindingDB Entry DOI: 10.7270/Q2GX4CKZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50350487
PNG
(CHEMBL1814635)
Show SMILES Cc1cc(Cc2sc(=O)[nH]c2O)cc(C)c1O
Show InChI InChI=1S/C12H13NO3S/c1-6-3-8(4-7(2)10(6)14)5-9-11(15)13-12(16)17-9/h3-4,14-15H,5H2,1-2H3,(H,13,16)
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n/an/a 2.62E+4n/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA assessed as inhibition of kynuramine conversion to fluorescent metabolite 4-hydroxyquinoline by fluorimetry

Bioorg Med Chem Lett 21: 4798-803 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.060
BindingDB Entry DOI: 10.7270/Q2GX4CKZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50324736
PNG
(3-(2-aminoethyl)-5-(2-methoxybenzylidene)thiazolid...)
Show SMILES COc1ccccc1\C=C1/SC(=O)N(CCN)C1=O
Show InChI InChI=1S/C13H14N2O3S/c1-18-10-5-3-2-4-9(10)8-11-12(16)15(7-6-14)13(17)19-11/h2-5,8H,6-7,14H2,1H3/b11-8-
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n/an/a 2.70E+4n/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB by amplex red assay

Bioorg Med Chem Lett 21: 4798-803 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.060
BindingDB Entry DOI: 10.7270/Q2GX4CKZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50340098
PNG
(5-(4-hydroxy-3-methoxybenzylidene)-2-thioxothiazol...)
Show SMILES COc1cc(C=C2SC(S)=NC2=O)ccc1O |w:5.4,c:9|
Show InChI InChI=1S/C11H9NO3S2/c1-15-8-4-6(2-3-7(8)13)5-9-10(14)12-11(16)17-9/h2-5,13H,1H3,(H,12,14,16)
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n/an/a 2.86E+4n/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA assessed as inhibition of kynuramine conversion to fluorescent metabolite 4-hydroxyquinoline by fluorimetry

Bioorg Med Chem Lett 21: 4798-803 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.060
BindingDB Entry DOI: 10.7270/Q2GX4CKZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50324736
PNG
(3-(2-aminoethyl)-5-(2-methoxybenzylidene)thiazolid...)
Show SMILES COc1ccccc1\C=C1/SC(=O)N(CCN)C1=O
Show InChI InChI=1S/C13H14N2O3S/c1-18-10-5-3-2-4-9(10)8-11-12(16)15(7-6-14)13(17)19-11/h2-5,8H,6-7,14H2,1H3/b11-8-
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n/an/a 2.99E+4n/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA assessed as inhibition of kynuramine conversion to fluorescent metabolite 4-hydroxyquinoline by fluorimetry

Bioorg Med Chem Lett 21: 4798-803 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.060
BindingDB Entry DOI: 10.7270/Q2GX4CKZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50350492
PNG
(CHEMBL1814643)
Show SMILES COc1cc(C=C2SC(S)=NC2=O)c(OC)cc1O |w:5.4,c:9|
Show InChI InChI=1S/C12H11NO4S2/c1-16-8-5-7(14)9(17-2)3-6(8)4-10-11(15)13-12(18)19-10/h3-5,14H,1-2H3,(H,13,15,18)
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n/an/a 3.17E+4n/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB by amplex red assay

Bioorg Med Chem Lett 21: 4798-803 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.060
BindingDB Entry DOI: 10.7270/Q2GX4CKZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50350497
PNG
(CHEMBL1814649)
Show SMILES OC1=NC(=O)C(S1)=CC(=O)Nc1ccccc1 |w:7.8,t:1|
Show InChI InChI=1S/C11H8N2O3S/c14-9(12-7-4-2-1-3-5-7)6-8-10(15)13-11(16)17-8/h1-6H,(H,12,14)(H,13,15,16)
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n/an/a 3.53E+4n/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA assessed as inhibition of kynuramine conversion to fluorescent metabolite 4-hydroxyquinoline by fluorimetry

Bioorg Med Chem Lett 21: 4798-803 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.060
BindingDB Entry DOI: 10.7270/Q2GX4CKZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50350489
PNG
(CHEMBL1814637)
Show SMILES OC1=NC(=O)C(S1)=CC(=O)Nc1cccc(O)c1 |w:7.8,t:1|
Show InChI InChI=1S/C11H8N2O4S/c14-7-3-1-2-6(4-7)12-9(15)5-8-10(16)13-11(17)18-8/h1-5,14H,(H,12,15)(H,13,16,17)
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n/an/a 3.53E+4n/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA assessed as inhibition of kynuramine conversion to fluorescent metabolite 4-hydroxyquinoline by fluorimetry

Bioorg Med Chem Lett 21: 4798-803 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.060
BindingDB Entry DOI: 10.7270/Q2GX4CKZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50350502
PNG
(CHEMBL1814651)
Show SMILES CN1C(=S)S\C(=C\c2ccc(Cl)cc2)C1=O
Show InChI InChI=1S/C11H8ClNOS2/c1-13-10(14)9(16-11(13)15)6-7-2-4-8(12)5-3-7/h2-6H,1H3/b9-6+
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n/an/a 3.65E+4n/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB by amplex red assay

Bioorg Med Chem Lett 21: 4798-803 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.060
BindingDB Entry DOI: 10.7270/Q2GX4CKZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50350496
PNG
(CHEMBL1814648)
Show SMILES OC(=O)c1ccc(cc1)\N=C1\SC(=O)NC1=O
Show InChI InChI=1S/C10H6N2O4S/c13-7-8(17-10(16)12-7)11-6-3-1-5(2-4-6)9(14)15/h1-4H,(H,14,15)(H,12,13,16)/b11-8+
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n/an/a 3.73E+4n/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA assessed as inhibition of kynuramine conversion to fluorescent metabolite 4-hydroxyquinoline by fluorimetry

Bioorg Med Chem Lett 21: 4798-803 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.060
BindingDB Entry DOI: 10.7270/Q2GX4CKZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50350493
PNG
(CHEMBL1814644)
Show SMILES OC1=NC(=O)C(S1)=Cc1cc(Br)c(O)c(Br)c1 |w:7.8,t:1|
Show InChI InChI=1S/C10H5Br2NO3S/c11-5-1-4(2-6(12)8(5)14)3-7-9(15)13-10(16)17-7/h1-3,14H,(H,13,15,16)
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n/an/a 3.99E+4n/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA assessed as inhibition of kynuramine conversion to fluorescent metabolite 4-hydroxyquinoline by fluorimetry

Bioorg Med Chem Lett 21: 4798-803 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.060
BindingDB Entry DOI: 10.7270/Q2GX4CKZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50350499
PNG
(CHEMBL1814636)
Show SMILES Cc1cc(C)cc(Cc2sc(=O)[nH]c2O)c1
Show InChI InChI=1S/C12H13NO2S/c1-7-3-8(2)5-9(4-7)6-10-11(14)13-12(15)16-10/h3-5,14H,6H2,1-2H3,(H,13,15)
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n/an/a 5.05E+4n/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA assessed as inhibition of kynuramine conversion to fluorescent metabolite 4-hydroxyquinoline by fluorimetry

Bioorg Med Chem Lett 21: 4798-803 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.060
BindingDB Entry DOI: 10.7270/Q2GX4CKZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50350496
PNG
(CHEMBL1814648)
Show SMILES OC(=O)c1ccc(cc1)\N=C1\SC(=O)NC1=O
Show InChI InChI=1S/C10H6N2O4S/c13-7-8(17-10(16)12-7)11-6-3-1-5(2-4-6)9(14)15/h1-4H,(H,14,15)(H,12,13,16)/b11-8+
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n/an/a 5.60E+4n/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB by amplex red assay

Bioorg Med Chem Lett 21: 4798-803 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.060
BindingDB Entry DOI: 10.7270/Q2GX4CKZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM26646
PNG
((5Z)-5-[(3-bromophenyl)methylidene]-1,3-thiazolidi...)
Show SMILES OC1=NC(=O)C(S1)=Cc1cccc(Br)c1 |w:7.8,t:1|
Show InChI InChI=1S/C10H6BrNO2S/c11-7-3-1-2-6(4-7)5-8-9(13)12-10(14)15-8/h1-5H,(H,12,13,14)
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n/an/a 6.73E+4n/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA assessed as inhibition of kynuramine conversion to fluorescent metabolite 4-hydroxyquinoline by fluorimetry

Bioorg Med Chem Lett 21: 4798-803 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.060
BindingDB Entry DOI: 10.7270/Q2GX4CKZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50350490
PNG
(CHEMBL1814638)
Show SMILES OC(=O)CCN1C(=S)S\C(=C\c2ccccc2)C1=O
Show InChI InChI=1S/C13H11NO3S2/c15-11(16)6-7-14-12(17)10(19-13(14)18)8-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,15,16)/b10-8+
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n/an/a 7.05E+4n/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA assessed as inhibition of kynuramine conversion to fluorescent metabolite 4-hydroxyquinoline by fluorimetry

Bioorg Med Chem Lett 21: 4798-803 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.060
BindingDB Entry DOI: 10.7270/Q2GX4CKZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50324735
PNG
((5E)-5-(QUINOXALIN-6-YLMETHYLENE)-1,3-THIAZOLIDINE...)
Show SMILES OC1=NC(=O)C(S1)=Cc1ccc2nccnc2c1 |w:7.8,t:1|
Show InChI InChI=1S/C12H7N3O2S/c16-11-10(18-12(17)15-11)6-7-1-2-8-9(5-7)14-4-3-13-8/h1-6H,(H,15,16,17)
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n/an/a 1.66E+5n/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA assessed as inhibition of kynuramine conversion to fluorescent metabolite 4-hydroxyquinoline by fluorimetry

Bioorg Med Chem Lett 21: 4798-803 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.060
BindingDB Entry DOI: 10.7270/Q2GX4CKZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50350488
PNG
(CHEMBL1061)
Show SMILES Oc1[nH]c(=O)sc1Cc1ccc(O)cc1
Show InChI InChI=1S/C10H9NO3S/c12-7-3-1-6(2-4-7)5-8-9(13)11-10(14)15-8/h1-4,12-13H,5H2,(H,11,14)
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n/an/a 1.94E+5n/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA assessed as inhibition of kynuramine conversion to fluorescent metabolite 4-hydroxyquinoline by fluorimetry

Bioorg Med Chem Lett 21: 4798-803 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.060
BindingDB Entry DOI: 10.7270/Q2GX4CKZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50350488
PNG
(CHEMBL1061)
Show SMILES Oc1[nH]c(=O)sc1Cc1ccc(O)cc1
Show InChI InChI=1S/C10H9NO3S/c12-7-3-1-6(2-4-7)5-8-9(13)11-10(14)15-8/h1-4,12-13H,5H2,(H,11,14)
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n/an/a 2.25E+5n/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB by amplex red assay

Bioorg Med Chem Lett 21: 4798-803 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.060
BindingDB Entry DOI: 10.7270/Q2GX4CKZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50350494
PNG
(CHEMBL1814646)
Show SMILES CC(=O)c1ccc(Cc2sc(N)nc2O)cc1
Show InChI InChI=1S/C12H12N2O2S/c1-7(15)9-4-2-8(3-5-9)6-10-11(16)14-12(13)17-10/h2-5,16H,6H2,1H3,(H2,13,14)
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n/an/a 2.52E+5n/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA assessed as inhibition of kynuramine conversion to fluorescent metabolite 4-hydroxyquinoline by fluorimetry

Bioorg Med Chem Lett 21: 4798-803 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.060
BindingDB Entry DOI: 10.7270/Q2GX4CKZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50350495
PNG
(CHEMBL1814647)
Show SMILES OC(=O)C(Cc1ccc(O)cc1)n1c(O)csc1=S
Show InChI InChI=1S/C12H11NO4S2/c14-8-3-1-7(2-4-8)5-9(11(16)17)13-10(15)6-19-12(13)18/h1-4,6,9,14-15H,5H2,(H,16,17)
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n/an/a 2.73E+5n/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB by amplex red assay

Bioorg Med Chem Lett 21: 4798-803 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.060
BindingDB Entry DOI: 10.7270/Q2GX4CKZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50350494
PNG
(CHEMBL1814646)
Show SMILES CC(=O)c1ccc(Cc2sc(N)nc2O)cc1
Show InChI InChI=1S/C12H12N2O2S/c1-7(15)9-4-2-8(3-5-9)6-10-11(16)14-12(13)17-10/h2-5,16H,6H2,1H3,(H2,13,14)
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n/an/a 3.09E+5n/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB by amplex red assay

Bioorg Med Chem Lett 21: 4798-803 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.060
BindingDB Entry DOI: 10.7270/Q2GX4CKZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50350492
PNG
(CHEMBL1814643)
Show SMILES COc1cc(C=C2SC(S)=NC2=O)c(OC)cc1O |w:5.4,c:9|
Show InChI InChI=1S/C12H11NO4S2/c1-16-8-5-7(14)9(17-2)3-6(8)4-10-11(15)13-12(18)19-10/h3-5,14H,1-2H3,(H,13,15,18)
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n/an/a 3.80E+5n/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA assessed as inhibition of kynuramine conversion to fluorescent metabolite 4-hydroxyquinoline by fluorimetry

Bioorg Med Chem Lett 21: 4798-803 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.060
BindingDB Entry DOI: 10.7270/Q2GX4CKZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50350502
PNG
(CHEMBL1814651)
Show SMILES CN1C(=S)S\C(=C\c2ccc(Cl)cc2)C1=O
Show InChI InChI=1S/C11H8ClNOS2/c1-13-10(14)9(16-11(13)15)6-7-2-4-8(12)5-3-7/h2-6H,1H3/b9-6+
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n/an/a 3.99E+5n/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA assessed as inhibition of kynuramine conversion to fluorescent metabolite 4-hydroxyquinoline by fluorimetry

Bioorg Med Chem Lett 21: 4798-803 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.060
BindingDB Entry DOI: 10.7270/Q2GX4CKZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50350490
PNG
(CHEMBL1814638)
Show SMILES OC(=O)CCN1C(=S)S\C(=C\c2ccccc2)C1=O
Show InChI InChI=1S/C13H11NO3S2/c15-11(16)6-7-14-12(17)10(19-13(14)18)8-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,15,16)/b10-8+
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n/an/a 6.04E+5n/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB by amplex red assay

Bioorg Med Chem Lett 21: 4798-803 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.060
BindingDB Entry DOI: 10.7270/Q2GX4CKZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%