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Compile Data Set for Download or QSAR

Found 98 hits with Last Name = 'funk' and Initial = 'mo'   
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))
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

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B after 15 mins


Bioorg Med Chem Lett 20: 5295-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.128
BindingDB Entry DOI: 10.7270/Q2S46SX1
More data for this
Ligand-Target Pair
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))
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] 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

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B after 15 mins


Bioorg Med Chem Lett 20: 5295-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.128
BindingDB Entry DOI: 10.7270/Q2S46SX1
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50049243
PNG
(5-[4-(1-Methyl-cyclohexylmethoxy)-benzyl]-thiazoli...)
Show SMILES CC1(COc2ccc(Cc3sc(=O)[nH]c3O)cc2)CCCCC1
Show InChI InChI=1S/C18H23NO3S/c1-18(9-3-2-4-10-18)12-22-14-7-5-13(6-8-14)11-15-16(20)19-17(21)23-15/h5-8,20H,2-4,9-12H2,1H3,(H,19,21)
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n/an/a 225n/an/an/an/an/an/a



Northeastern Ohio Universities

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B after 15 mins


Bioorg Med Chem Lett 20: 5295-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.128
BindingDB Entry DOI: 10.7270/Q2S46SX1
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))
BDBM50049240
PNG
((+-)-5-((4-(2-(5-ethyl-2-pyridinyl)ethoxy)phenyl)m...)
Show SMILES CCc1ccc(CCOc2ccc(Cc3sc(=O)[nH]c3O)cc2)nc1
Show InChI InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,22H,2,9-11H2,1H3,(H,21,23)
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n/an/a 298n/an/an/an/an/an/a



Northeastern Ohio Universities

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B after 15 mins


Bioorg Med Chem Lett 20: 5295-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.128
BindingDB Entry DOI: 10.7270/Q2S46SX1
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))
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] 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))
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))
BDBM28681
PNG
(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)
Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1
Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23)
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n/an/a 832n/an/an/an/an/an/a



Northeastern Ohio Universities

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B after 15 mins


Bioorg Med Chem Lett 20: 5295-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.128
BindingDB Entry DOI: 10.7270/Q2S46SX1
More data for this
Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1


(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 860n/an/an/an/an/an/a



Northeast Ohio Medical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from human recombinant C-terminal His-tagged cytosolic domain of mitoNEET (32-108) by scintillation proximity assa...


Bioorg Med Chem Lett 21: 5498-501 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.111
BindingDB Entry DOI: 10.7270/Q2T43TFB
More data for this
Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1


(Rattus norvegicus)
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 900n/an/an/an/an/an/a



Northeastern Ohio Universities

Curated by ChEMBL


Assay Description
Displacement of [3H]rosiglitazone from rat liver mitochondrial mitoNEET by scintillation counting


Bioorg Med Chem Lett 20: 819-23 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.088
BindingDB Entry DOI: 10.7270/Q2280BFZ
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
CDGSH iron-sulfur domain-containing protein 1


(Rattus norvegicus)
BDBM50103521
PNG
(Actos | CHEBI:8228 | Duetact | Pioglitazone | US10...)
Show SMILES CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1
Show InChI InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,17H,2,9-11H2,1H3,(H,21,22,23)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Northeastern Ohio Universities

Curated by ChEMBL


Assay Description
Displacement of [3H]rosiglitazone from rat liver mitochondrial mitoNEET by scintillation counting


Bioorg Med Chem Lett 20: 819-23 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.088
BindingDB Entry DOI: 10.7270/Q2280BFZ
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
CDGSH iron-sulfur domain-containing protein 1


(Rattus norvegicus)
BDBM50030474
PNG
(Avandamet | Avandaryl | Avandia | BRL-49653 | CHEB...)
Show SMILES CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Northeastern Ohio Universities

Curated by ChEMBL


Assay Description
Displacement of [3H]rosiglitazone from rat liver mitochondrial mitoNEET by scintillation counting


Bioorg Med Chem Lett 20: 819-23 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.088
BindingDB Entry DOI: 10.7270/Q2280BFZ
More data for this
Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1


(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 1.73E+3n/an/an/an/an/an/a



Northeast Ohio Medical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from human recombinant C-terminal His-tagged cytosolic domain of mitoNEET (32-108) by scintillation proximity assa...


Bioorg Med Chem Lett 21: 5498-501 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.111
BindingDB Entry DOI: 10.7270/Q2T43TFB
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50085045
PNG
(5-((4-((6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-...)
Show SMILES Cc1c(C)c2OC(C)(COc3ccc(Cc4sc(=O)[nH]c4O)cc3)CCc2c(C)c1O
Show InChI InChI=1S/C24H27NO5S/c1-13-14(2)21-18(15(3)20(13)26)9-10-24(4,30-21)12-29-17-7-5-16(6-8-17)11-19-22(27)25-23(28)31-19/h5-8,26-27H,9-12H2,1-4H3,(H,25,28)
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n/an/a 2.07E+3n/an/an/an/an/an/a



Northeastern Ohio Universities

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B after 15 mins


Bioorg Med Chem Lett 20: 5295-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.128
BindingDB Entry DOI: 10.7270/Q2S46SX1
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))
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

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B after 15 mins


Bioorg Med Chem Lett 20: 5295-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.128
BindingDB Entry DOI: 10.7270/Q2S46SX1
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] 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
CDGSH iron-sulfur domain-containing protein 1


(Homo sapiens (Human))
BDBM50352038
PNG
(CHEMBL1823806)
Show SMILES OC1=NC(=O)C(S1)=Cc1cc(Br)c(O)cc1Br |w:7.8,t:1|
Show InChI InChI=1S/C10H5Br2NO3S/c11-5-3-7(14)6(12)1-4(5)2-8-9(15)13-10(16)17-8/h1-3,14H,(H,13,15,16)
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n/an/a 2.93E+3n/an/an/an/an/an/a



Northeast Ohio Medical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from human recombinant C-terminal His-tagged cytosolic domain of mitoNEET (32-108) by scintillation proximity assa...


Bioorg Med Chem Lett 21: 5498-501 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.111
BindingDB Entry DOI: 10.7270/Q2T43TFB
More data for this
Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1


(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 3.26E+3n/an/an/an/an/an/a



Northeast Ohio Medical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from human recombinant C-terminal His-tagged cytosolic domain of mitoNEET (32-108) by scintillation proximity assa...


Bioorg Med Chem Lett 21: 5498-501 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.111
BindingDB Entry DOI: 10.7270/Q2T43TFB
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
CDGSH iron-sulfur domain-containing protein 1


(Homo sapiens (Human))
BDBM50322615
PNG
(CHEMBL1173685 | CHEMBL1823816 | Resveratrol Potass...)
Show SMILES Oc1ccc(\C=C\c2cc(O)cc(OS([O-])(=O)=O)c2)cc1
Show InChI InChI=1S/C14H12O6S/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(8-11)20-21(17,18)19/h1-9,15-16H,(H,17,18,19)/p-1/b2-1+
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n/an/a 3.36E+3n/an/an/an/an/an/a



Northeast Ohio Medical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from human recombinant C-terminal His-tagged cytosolic domain of mitoNEET (32-108) by scintillation proximity assa...


Bioorg Med Chem Lett 21: 5498-501 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.111
BindingDB Entry DOI: 10.7270/Q2T43TFB
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
CDGSH iron-sulfur domain-containing protein 1


(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 4.47E+3n/an/an/an/an/an/a



Northeast Ohio Medical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from human recombinant C-terminal His-tagged cytosolic domain of mitoNEET (32-108) by scintillation proximity assa...


Bioorg Med Chem Lett 21: 5498-501 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.111
BindingDB Entry DOI: 10.7270/Q2T43TFB
More data for this
Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1


(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 4.98E+3n/an/an/an/an/an/a



Northeast Ohio Medical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from human recombinant C-terminal His-tagged cytosolic domain of mitoNEET (32-108) by scintillation proximity assa...


Bioorg Med Chem Lett 21: 5498-501 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.111
BindingDB Entry DOI: 10.7270/Q2T43TFB
More data for this
Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1


(Homo sapiens (Human))
BDBM50352037
PNG
(CHEMBL1823804)
Show SMILES Oc1[nH]c(=O)sc1Cc1ccc2OC(F)(F)Oc2c1
Show InChI InChI=1S/C11H7F2NO4S/c12-11(13)17-6-2-1-5(3-7(6)18-11)4-8-9(15)14-10(16)19-8/h1-3,15H,4H2,(H,14,16)
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n/an/a 5.23E+3n/an/an/an/an/an/a



Northeast Ohio Medical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from human recombinant C-terminal His-tagged cytosolic domain of mitoNEET (32-108) by scintillation proximity assa...


Bioorg Med Chem Lett 21: 5498-501 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.111
BindingDB Entry DOI: 10.7270/Q2T43TFB
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
CDGSH iron-sulfur domain-containing protein 1


(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 5.97E+3n/an/an/an/an/an/a



Northeast Ohio Medical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from human recombinant C-terminal His-tagged cytosolic domain of mitoNEET (32-108) by scintillation proximity assa...


Bioorg Med Chem Lett 21: 5498-501 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.111
BindingDB Entry DOI: 10.7270/Q2T43TFB
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
CDGSH iron-sulfur domain-containing protein 1


(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 7.36E+3n/an/an/an/an/an/a



Northeast Ohio Medical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from human recombinant C-terminal His-tagged cytosolic domain of mitoNEET (32-108) by scintillation proximity assa...


Bioorg Med Chem Lett 21: 5498-501 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.111
BindingDB Entry DOI: 10.7270/Q2T43TFB
More data for this
Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1


(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 9.56E+3n/an/an/an/an/an/a



Northeast Ohio Medical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from human recombinant C-terminal His-tagged cytosolic domain of mitoNEET (32-108) by scintillation proximity assa...


Bioorg Med Chem Lett 21: 5498-501 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.111
BindingDB Entry DOI: 10.7270/Q2T43TFB
More data for this
Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1


(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 9.63E+3n/an/an/an/an/an/a



Northeast Ohio Medical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from human recombinant C-terminal His-tagged cytosolic domain of mitoNEET (32-108) by scintillation proximity assa...


Bioorg Med Chem Lett 21: 5498-501 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.111
BindingDB Entry DOI: 10.7270/Q2T43TFB
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] B


(Homo sapiens (Human))
BDBM50324741
PNG
(2-(2,4-dioxothiazolidin-5-yl)-N-(3-hydroxyphenyl)a...)
Show SMILES Oc1[nH]c(=O)sc1CC(=O)Nc1cccc(O)c1
Show InChI InChI=1S/C11H10N2O4S/c14-7-3-1-2-6(4-7)12-9(15)5-8-10(16)13-11(17)18-8/h1-4,14,16H,5H2,(H,12,15)(H,13,17)
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n/an/a 1.10E+4n/an/an/an/an/an/a



Northeastern Ohio Universities

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B after 15 mins


Bioorg Med Chem Lett 20: 5295-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.128
BindingDB Entry DOI: 10.7270/Q2S46SX1
More data for this
Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1


(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 1.11E+4n/an/an/an/an/an/a



Northeast Ohio Medical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from human recombinant C-terminal His-tagged cytosolic domain of mitoNEET (32-108) by scintillation proximity assa...


Bioorg Med Chem Lett 21: 5498-501 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.111
BindingDB Entry DOI: 10.7270/Q2T43TFB
More data for this
Ligand-Target Pair
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