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PubMed code 20650633

Compile data set for download or QSAR
Found 12 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

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))		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))		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))		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
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

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))		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
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

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))		BDBM50324740
PNG
(2-(2,4-dioxothiazolidin-5-yl)-N-phenylacetamide | ...)
Show SMILES Oc1[nH]c(=O)sc1CC(=O)Nc1ccccc1
Show InChI InChI=1S/C11H10N2O3S/c14-9(12-7-4-2-1-3-5-7)6-8-10(15)13-11(16)17-8/h1-5,15H,6H2,(H,12,14)(H,13,16)
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n/an/a 2.20E+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
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

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))		BDBM50324739
PNG
(3-(2,4-dioxothiazolidin-5-ylideneamino)benzoic aci...)
Show SMILES OC(=O)c1cccc(c1)\N=C1/SC(=O)NC1=O
Show InChI InChI=1S/C10H6N2O4S/c13-7-8(17-10(16)12-7)11-6-3-1-2-5(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

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
* indicates data uncertainty>20%