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Compile Data Set for Download or QSAR

Found 190 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 119   
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))
BDBM179461
PNG
(US9676701, 9 (trans)-2-(6-(4-(trifluoromethyl)phen...)
Show SMILES N[C@H]1C[C@@H]1c1ccc(nc1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C15H13F3N2/c16-15(17,18)11-4-1-9(2-5-11)14-6-3-10(8-20-14)12-7-13(12)19/h1-6,8,12-13H,7,19H2/t12-,13+/m1/s1
PDB

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50n/an/an/an/an/an/a7.5n/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Assays were conducted in 96-well black plates with clear bottom (Corning) in a final volume of 100 μL. The assay buffer was 100 mM HEPES, pH 7.5...


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM179976
PNG
(US9676701, 116 3-(5-((trans)-2-aminocyclopropyl)th...)
Show SMILES N[C@H]1C[C@@H]1c1cnc(s1)-c1cccc(O)c1
Show InChI InChI=1S/C12H12N2OS/c13-10-5-9(10)11-6-14-12(16-11)7-2-1-3-8(15)4-7/h1-4,6,9-10,15H,5,13H2/t9-,10-/m0/s1
PDB

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50n/an/an/an/an/an/a7.5n/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Assays were conducted in 96-well black plates with clear bottom (Corning) in a final volume of 100 μL. The assay buffer was 100 mM HEPES, pH 7.5...


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM179860
PNG
(US9676701, 94 N-(4′-((trans)-2-aminocyclopro...)
Show SMILES CS(=O)(=O)Nc1cc(Cl)cc(c1)-c1ccc(cc1)[C@H]1C[C@@H]1N
Show InChI InChI=1S/C16H17ClN2O2S/c1-22(20,21)19-14-7-12(6-13(17)8-14)10-2-4-11(5-3-10)15-9-16(15)18/h2-8,15-16,19H,9,18H2,1H3/t15-,16+/m1/s1
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550n/an/an/an/an/an/a7.5n/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Assays were conducted in 96-well black plates with clear bottom (Corning) in a final volume of 100 μL. The assay buffer was 100 mM HEPES, pH 7.5...


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM179861
PNG
(US9676701, 95 N-(3-(5-((trans)-2-aminocyclopropyl)...)
Show SMILES CS(=O)(=O)Nc1cc(Cl)cc(c1)-c1ccc(cn1)[C@H]1C[C@@H]1N
Show InChI InChI=1S/C15H16ClN3O2S/c1-22(20,21)19-12-5-10(4-11(16)6-12)15-3-2-9(8-18-15)13-7-14(13)17/h2-6,8,13-14,19H,7,17H2,1H3/t13-,14+/m1/s1
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550n/an/an/an/an/an/a7.5n/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Assays were conducted in 96-well black plates with clear bottom (Corning) in a final volume of 100 μL. The assay buffer was 100 mM HEPES, pH 7.5...


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM179862
PNG
(US9676701, 96 N-(4′-((trans)-2-aminocyclopro...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1F)-c1ccc(cc1)[C@H]1C[C@@H]1N
Show InChI InChI=1S/C16H17FN2O2S/c1-22(20,21)19-16-8-12(6-7-14(16)17)10-2-4-11(5-3-10)13-9-15(13)18/h2-8,13,15,19H,9,18H2,1H3/t13-,15+/m1/s1
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550n/an/an/an/an/an/a7.5n/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Assays were conducted in 96-well black plates with clear bottom (Corning) in a final volume of 100 μL. The assay buffer was 100 mM HEPES, pH 7.5...


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM179865
PNG
(US9676701, 99 N-(3-(5-((trans)-2-aminocyclopropyl)...)
Show SMILES N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(NS(=O)(=O)c2ccc(cc2)C#N)c1
Show InChI InChI=1S/C21H18N4O2S/c22-12-14-4-7-18(8-5-14)28(26,27)25-17-3-1-2-15(10-17)21-9-6-16(13-24-21)19-11-20(19)23/h1-10,13,19-20,25H,11,23H2/t19-,20+/m1/s1
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550n/an/an/an/an/an/a7.5n/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Assays were conducted in 96-well black plates with clear bottom (Corning) in a final volume of 100 μL. The assay buffer was 100 mM HEPES, pH 7.5...


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM179905
PNG
(US9676701, 100 N-(3-(5-((trans)-2-aminocyclopropyl...)
Show SMILES N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(NS(=O)(=O)c2cccc(c2)C#N)c1
Show InChI InChI=1S/C21H18N4O2S/c22-12-14-3-1-6-18(9-14)28(26,27)25-17-5-2-4-15(10-17)21-8-7-16(13-24-21)19-11-20(19)23/h1-10,13,19-20,25H,11,23H2/t19-,20+/m1/s1
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550n/an/an/an/an/an/a7.5n/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Assays were conducted in 96-well black plates with clear bottom (Corning) in a final volume of 100 μL. The assay buffer was 100 mM HEPES, pH 7.5...


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM179935
PNG
(US9676701, 104 4′−((trans)-2-aminocycl...)
Show SMILES CNS(=O)(=O)c1cccc(c1)-c1ccc(cn1)[C@H]1C[C@@H]1N
Show InChI InChI=1S/C15H17N3O2S/c1-17-21(19,20)12-4-2-3-10(7-12)15-6-5-11(9-18-15)13-8-14(13)16/h2-7,9,13-14,17H,8,16H2,1H3/t13-,14+/m1/s1
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550n/an/an/an/an/an/a7.5n/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Assays were conducted in 96-well black plates with clear bottom (Corning) in a final volume of 100 μL. The assay buffer was 100 mM HEPES, pH 7.5...


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM179944
PNG
(US9676701, 106 4′-((trans)-2-aminocyclopropy...)
Show SMILES COc1cc(ccc1[C@H]1C[C@@H]1N)-c1cccc(O)c1
Show InChI InChI=1S/C16H17NO2/c1-19-16-8-11(10-3-2-4-12(18)7-10)5-6-13(16)14-9-15(14)17/h2-8,14-15,18H,9,17H2,1H3/t14-,15+/m1/s1
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550n/an/an/an/an/an/a7.5n/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Assays were conducted in 96-well black plates with clear bottom (Corning) in a final volume of 100 μL. The assay buffer was 100 mM HEPES, pH 7.5...


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM179973
PNG
(US9676701, 113 3-(5-((trans)-2-aminocyclopropyl)th...)
Show SMILES N[C@H]1C[C@@H]1c1ccc(s1)-c1cccc(O)c1
Show InChI InChI=1S/C13H13NOS/c14-11-7-10(11)13-5-4-12(16-13)8-2-1-3-9(15)6-8/h1-6,10-11,15H,7,14H2/t10-,11-/m0/s1
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550n/an/an/an/an/an/a7.5n/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Assays were conducted in 96-well black plates with clear bottom (Corning) in a final volume of 100 μL. The assay buffer was 100 mM HEPES, pH 7.5...


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM179973
PNG
(US9676701, 113 3-(5-((trans)-2-aminocyclopropyl)th...)
Show SMILES N[C@H]1C[C@@H]1c1ccc(s1)-c1cccc(O)c1
Show InChI InChI=1S/C13H13NOS/c14-11-7-10(11)13-5-4-12(16-13)8-2-1-3-9(15)6-8/h1-6,10-11,15H,7,14H2/t10-,11-/m0/s1
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550n/an/an/an/an/an/a7.5n/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Assays were conducted in 96-well black plates with clear bottom (Corning) in a final volume of 100 μL. The assay buffer was 100 mM HEPES, pH 7.5...


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM179444
PNG
(US9676701, 2 (trans)-2-(terphenyl-4-yl)cyclopropan...)
Show SMILES N[C@H]1C[C@@H]1c1ccc(cc1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H19N/c22-21-14-20(21)19-12-10-18(11-13-19)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-13,20-21H,14,22H2/t20-,21+/m1/s1
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550n/an/an/an/an/an/a7.5n/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Assays were conducted in 96-well black plates with clear bottom (Corning) in a final volume of 100 μL. The assay buffer was 100 mM HEPES, pH 7.5...


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM179451
PNG
(US9676701, 5 (trans)-2-(6-(3-(trifluoromethyl)phen...)
Show SMILES N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C15H13F3N2/c16-15(17,18)11-3-1-2-9(6-11)14-5-4-10(8-20-14)12-7-13(12)19/h1-6,8,12-13H,7,19H2/t12-,13+/m1/s1
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550n/an/an/an/an/an/a7.5n/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Assays were conducted in 96-well black plates with clear bottom (Corning) in a final volume of 100 μL. The assay buffer was 100 mM HEPES, pH 7.5...


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM179452
PNG
(US9676701, 6 (Trans)-2-(6-(3,5-dichlorophenyl)pyri...)
Show SMILES N[C@H]1C[C@@H]1c1ccc(nc1)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C14H12Cl2N2/c15-10-3-9(4-11(16)5-10)14-2-1-8(7-18-14)12-6-13(12)17/h1-5,7,12-13H,6,17H2/t12-,13+/m1/s1
PDB

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550n/an/an/an/an/an/a7.5n/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Assays were conducted in 96-well black plates with clear bottom (Corning) in a final volume of 100 μL. The assay buffer was 100 mM HEPES, pH 7.5...


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM179454
PNG
(US9676701, 7 (trans)-2-(6-(4-chlorophenyl)pyridin-...)
Show SMILES N[C@H]1C[C@@H]1c1ccc(nc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C14H13ClN2/c15-11-4-1-9(2-5-11)14-6-3-10(8-17-14)12-7-13(12)16/h1-6,8,12-13H,7,16H2/t12-,13+/m1/s1
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550n/an/an/an/an/an/a7.5n/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Assays were conducted in 96-well black plates with clear bottom (Corning) in a final volume of 100 μL. The assay buffer was 100 mM HEPES, pH 7.5...


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM179455
PNG
(US9676701, 8 (trans)-2-(6-(3-chlorophenyl)pyridin-...)
Show SMILES N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(Cl)c1
Show InChI InChI=1S/C14H13ClN2/c15-11-3-1-2-9(6-11)14-5-4-10(8-17-14)12-7-13(12)16/h1-6,8,12-13H,7,16H2/t12-,13+/m1/s1
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550n/an/an/an/an/an/a7.5n/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Assays were conducted in 96-well black plates with clear bottom (Corning) in a final volume of 100 μL. The assay buffer was 100 mM HEPES, pH 7.5...


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM179860
PNG
(US9676701, 94 N-(4′-((trans)-2-aminocyclopro...)
Show SMILES CS(=O)(=O)Nc1cc(Cl)cc(c1)-c1ccc(cc1)[C@H]1C[C@@H]1N
Show InChI InChI=1S/C16H17ClN2O2S/c1-22(20,21)19-14-7-12(6-13(17)8-14)10-2-4-11(5-3-10)15-9-16(15)18/h2-8,15-16,19H,9,18H2,1H3/t15-,16+/m1/s1
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550n/an/an/an/an/an/a7.5n/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Assays were conducted in 96-well black plates with clear bottom (Corning) in a final volume of 100 μL. The assay buffer was 100 mM HEPES, pH 7.5...


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM179853
PNG
(US9676701, 87 4′-((trans)-2-aminocyclopropyl...)
Show SMILES N[C@H]1C[C@@H]1c1ccc(cc1)-c1cc(ccc1O)C#N
Show InChI InChI=1S/C16H14N2O/c17-9-10-1-6-16(19)14(7-10)12-4-2-11(3-5-12)13-8-15(13)18/h1-7,13,15,19H,8,18H2/t13-,15+/m1/s1
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550n/an/an/an/an/an/a7.5n/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Assays were conducted in 96-well black plates with clear bottom (Corning) in a final volume of 100 μL. The assay buffer was 100 mM HEPES, pH 7.5...


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM179855
PNG
(US9676701, 89 3-(5-((trans)-2-aminocyclopropyl)pyr...)
Show SMILES N[C@H]1C[C@@H]1c1ccc(nc1)-c1cc(ccc1O)C#N
Show InChI InChI=1S/C15H13N3O/c16-7-9-1-4-15(19)12(5-9)14-3-2-10(8-18-14)11-6-13(11)17/h1-5,8,11,13,19H,6,17H2/t11-,13+/m1/s1
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550n/an/an/an/an/an/a7.5n/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Assays were conducted in 96-well black plates with clear bottom (Corning) in a final volume of 100 μL. The assay buffer was 100 mM HEPES, pH 7.5...


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM179729
PNG
(US9676701, 48 3-(5-((trans)-2-amninocyclopropyl)py...)
Show SMILES N[C@H]1C[C@@H]1c1ccc(nc1)-c1cc(O)cc(c1)C(F)(F)F
Show InChI InChI=1S/C15H13F3N2O/c16-15(17,18)10-3-9(4-11(21)5-10)14-2-1-8(7-20-14)12-6-13(12)19/h1-5,7,12-13,21H,6,19H2/t12-,13+/m1/s1
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>1.00E+3n/an/an/an/an/an/a7.5n/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Assays were conducted in 96-well black plates with clear bottom (Corning) in a final volume of 100 μL. The assay buffer was 100 mM HEPES, pH 7.5...


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM179729
PNG
(US9676701, 48 3-(5-((trans)-2-amninocyclopropyl)py...)
Show SMILES N[C@H]1C[C@@H]1c1ccc(nc1)-c1cc(O)cc(c1)C(F)(F)F
Show InChI InChI=1S/C15H13F3N2O/c16-15(17,18)10-3-9(4-11(21)5-10)14-2-1-8(7-20-14)12-6-13(12)19/h1-5,7,12-13,21H,6,19H2/t12-,13+/m1/s1
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>1.00E+3n/an/an/an/an/an/a7.5n/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Assays were conducted in 96-well black plates with clear bottom (Corning) in a final volume of 100 μL. The assay buffer was 100 mM HEPES, pH 7.5...


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM179734
PNG
(US9676701, 49 (trans)-2-(6-(2-fluoro-5-(trifluorom...)
Show SMILES N[C@H]1C[C@@H]1c1ccc(nc1)-c1cc(ccc1F)C(F)(F)F
Show InChI InChI=1S/C15H12F4N2/c16-12-3-2-9(15(17,18)19)5-11(12)14-4-1-8(7-21-14)10-6-13(10)20/h1-5,7,10,13H,6,20H2/t10-,13+/m1/s1
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>1.00E+3n/an/an/an/an/an/a7.5n/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Assays were conducted in 96-well black plates with clear bottom (Corning) in a final volume of 100 μL. The assay buffer was 100 mM HEPES, pH 7.5...


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM179734
PNG
(US9676701, 49 (trans)-2-(6-(2-fluoro-5-(trifluorom...)
Show SMILES N[C@H]1C[C@@H]1c1ccc(nc1)-c1cc(ccc1F)C(F)(F)F
Show InChI InChI=1S/C15H12F4N2/c16-12-3-2-9(15(17,18)19)5-11(12)14-4-1-8(7-21-14)10-6-13(10)20/h1-5,7,10,13H,6,20H2/t10-,13+/m1/s1
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Oryzon Genomics, S.A.

US Patent


Assay Description
Assays were conducted in 96-well black plates with clear bottom (Corning) in a final volume of 100 μL. The assay buffer was 100 mM HEPES, pH 7.5...


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM179735
PNG
(US9676701, 50 (trans)-2-(6-(2-chloro-5-(trifluorom...)
Show SMILES N[C@H]1C[C@@H]1c1ccc(nc1)-c1cc(ccc1Cl)C(F)(F)F
Show InChI InChI=1S/C15H12ClF3N2/c16-12-3-2-9(15(17,18)19)5-11(12)14-4-1-8(7-21-14)10-6-13(10)20/h1-5,7,10,13H,6,20H2/t10-,13+/m1/s1
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>1.00E+3n/an/an/an/an/an/a7.5n/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Assays were conducted in 96-well black plates with clear bottom (Corning) in a final volume of 100 μL. The assay buffer was 100 mM HEPES, pH 7.5...


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM179735
PNG
(US9676701, 50 (trans)-2-(6-(2-chloro-5-(trifluorom...)
Show SMILES N[C@H]1C[C@@H]1c1ccc(nc1)-c1cc(ccc1Cl)C(F)(F)F
Show InChI InChI=1S/C15H12ClF3N2/c16-12-3-2-9(15(17,18)19)5-11(12)14-4-1-8(7-21-14)10-6-13(10)20/h1-5,7,10,13H,6,20H2/t10-,13+/m1/s1
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Oryzon Genomics, S.A.

US Patent


Assay Description
Assays were conducted in 96-well black plates with clear bottom (Corning) in a final volume of 100 μL. The assay buffer was 100 mM HEPES, pH 7.5...


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM179737
PNG
(US9676701, 51 (trans)-2-(6-(3,5-bis(trifluoromethy...)
Show SMILES N[C@H]1C[C@@H]1c1ccc(nc1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H12F6N2/c17-15(18,19)10-3-9(4-11(5-10)16(20,21)22)14-2-1-8(7-24-14)12-6-13(12)23/h1-5,7,12-13H,6,23H2/t12-,13+/m1/s1
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>1.00E+3n/an/an/an/an/an/a7.5n/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Assays were conducted in 96-well black plates with clear bottom (Corning) in a final volume of 100 μL. The assay buffer was 100 mM HEPES, pH 7.5...


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM179737
PNG
(US9676701, 51 (trans)-2-(6-(3,5-bis(trifluoromethy...)
Show SMILES N[C@H]1C[C@@H]1c1ccc(nc1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H12F6N2/c17-15(18,19)10-3-9(4-11(5-10)16(20,21)22)14-2-1-8(7-24-14)12-6-13(12)23/h1-5,7,12-13H,6,23H2/t12-,13+/m1/s1
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Oryzon Genomics, S.A.

US Patent


Assay Description
Assays were conducted in 96-well black plates with clear bottom (Corning) in a final volume of 100 μL. The assay buffer was 100 mM HEPES, pH 7.5...


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM179739
PNG
(US9676701, 52 N-(3-(5-((trans)-2-aminocyclopropyl)...)
Show SMILES CC(=O)Nc1cccc(c1)-c1ccc(cn1)[C@H]1C[C@@H]1N
Show InChI InChI=1S/C16H17N3O/c1-10(20)19-13-4-2-3-11(7-13)16-6-5-12(9-18-16)14-8-15(14)17/h2-7,9,14-15H,8,17H2,1H3,(H,19,20)/t14-,15+/m1/s1
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>1.00E+3n/an/an/an/an/an/a7.5n/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Assays were conducted in 96-well black plates with clear bottom (Corning) in a final volume of 100 μL. The assay buffer was 100 mM HEPES, pH 7.5...


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM179739
PNG
(US9676701, 52 N-(3-(5-((trans)-2-aminocyclopropyl)...)
Show SMILES CC(=O)Nc1cccc(c1)-c1ccc(cn1)[C@H]1C[C@@H]1N
Show InChI InChI=1S/C16H17N3O/c1-10(20)19-13-4-2-3-11(7-13)16-6-5-12(9-18-16)14-8-15(14)17/h2-7,9,14-15H,8,17H2,1H3,(H,19,20)/t14-,15+/m1/s1
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>1.00E+3n/an/an/an/an/an/a7.5n/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Assays were conducted in 96-well black plates with clear bottom (Corning) in a final volume of 100 μL. The assay buffer was 100 mM HEPES, pH 7.5...


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM179740
PNG
(US9676701, 53 N-(3-(5-((trans)-2-aminocyclopropyl)...)
Show SMILES CS(=O)(=O)Nc1cccc(c1)-c1ccc(cn1)[C@H]1C[C@@H]1N
Show InChI InChI=1S/C15H17N3O2S/c1-21(19,20)18-12-4-2-3-10(7-12)15-6-5-11(9-17-15)13-8-14(13)16/h2-7,9,13-14,18H,8,16H2,1H3/t13-,14+/m1/s1
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Oryzon Genomics, S.A.

US Patent


Assay Description
Assays were conducted in 96-well black plates with clear bottom (Corning) in a final volume of 100 μL. The assay buffer was 100 mM HEPES, pH 7.5...


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM179740
PNG
(US9676701, 53 N-(3-(5-((trans)-2-aminocyclopropyl)...)
Show SMILES CS(=O)(=O)Nc1cccc(c1)-c1ccc(cn1)[C@H]1C[C@@H]1N
Show InChI InChI=1S/C15H17N3O2S/c1-21(19,20)18-12-4-2-3-10(7-12)15-6-5-11(9-17-15)13-8-14(13)16/h2-7,9,13-14,18H,8,16H2,1H3/t13-,14+/m1/s1
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Oryzon Genomics, S.A.

US Patent


Assay Description
Assays were conducted in 96-well black plates with clear bottom (Corning) in a final volume of 100 μL. The assay buffer was 100 mM HEPES, pH 7.5...


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM179742
PNG
(US9676701, 54 (trans)-2-(6-(benzo[b]thiophen-2-yl)...)
Show SMILES N[C@H]1C[C@@H]1c1ccc(nc1)-c1cc2ccccc2s1
Show InChI InChI=1S/C16H14N2S/c17-13-8-12(13)11-5-6-14(18-9-11)16-7-10-3-1-2-4-15(10)19-16/h1-7,9,12-13H,8,17H2/t12-,13+/m1/s1
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>1.00E+3n/an/an/an/an/an/a7.5n/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Assays were conducted in 96-well black plates with clear bottom (Corning) in a final volume of 100 μL. The assay buffer was 100 mM HEPES, pH 7.5...


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM179742
PNG
(US9676701, 54 (trans)-2-(6-(benzo[b]thiophen-2-yl)...)
Show SMILES N[C@H]1C[C@@H]1c1ccc(nc1)-c1cc2ccccc2s1
Show InChI InChI=1S/C16H14N2S/c17-13-8-12(13)11-5-6-14(18-9-11)16-7-10-3-1-2-4-15(10)19-16/h1-7,9,12-13H,8,17H2/t12-,13+/m1/s1
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Oryzon Genomics, S.A.

US Patent


Assay Description
Assays were conducted in 96-well black plates with clear bottom (Corning) in a final volume of 100 μL. The assay buffer was 100 mM HEPES, pH 7.5...


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM179744
PNG
(US9676701, 55 (trans)-2-(6-(benzo[b]thiophen-3-yl)...)
Show SMILES N[C@H]1C[C@@H]1c1ccc(nc1)-c1csc2ccccc12
Show InChI InChI=1S/C16H14N2S/c17-14-7-12(14)10-5-6-15(18-8-10)13-9-19-16-4-2-1-3-11(13)16/h1-6,8-9,12,14H,7,17H2/t12-,14+/m1/s1
PDB

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Oryzon Genomics, S.A.

US Patent


Assay Description
Assays were conducted in 96-well black plates with clear bottom (Corning) in a final volume of 100 μL. The assay buffer was 100 mM HEPES, pH 7.5...


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM179744
PNG
(US9676701, 55 (trans)-2-(6-(benzo[b]thiophen-3-yl)...)
Show SMILES N[C@H]1C[C@@H]1c1ccc(nc1)-c1csc2ccccc12
Show InChI InChI=1S/C16H14N2S/c17-14-7-12(14)10-5-6-15(18-8-10)13-9-19-16-4-2-1-3-11(13)16/h1-6,8-9,12,14H,7,17H2/t12-,14+/m1/s1
PDB

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Oryzon Genomics, S.A.

US Patent


Assay Description
Assays were conducted in 96-well black plates with clear bottom (Corning) in a final volume of 100 μL. The assay buffer was 100 mM HEPES, pH 7.5...


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM179745
PNG
(US9676701, 56 5-(5-((trans)-2-aminocyclopropyl)pyr...)
Show SMILES N[C@H]1C[C@@H]1c1ccc(nc1)-c1ccc(s1)C#N
Show InChI InChI=1S/C13H11N3S/c14-6-9-2-4-13(17-9)12-3-1-8(7-16-12)10-5-11(10)15/h1-4,7,10-11H,5,15H2/t10-,11+/m1/s1
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Oryzon Genomics, S.A.

US Patent


Assay Description
Assays were conducted in 96-well black plates with clear bottom (Corning) in a final volume of 100 μL. The assay buffer was 100 mM HEPES, pH 7.5...


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM179745
PNG
(US9676701, 56 5-(5-((trans)-2-aminocyclopropyl)pyr...)
Show SMILES N[C@H]1C[C@@H]1c1ccc(nc1)-c1ccc(s1)C#N
Show InChI InChI=1S/C13H11N3S/c14-6-9-2-4-13(17-9)12-3-1-8(7-16-12)10-5-11(10)15/h1-4,7,10-11H,5,15H2/t10-,11+/m1/s1
PDB

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Oryzon Genomics, S.A.

US Patent


Assay Description
Assays were conducted in 96-well black plates with clear bottom (Corning) in a final volume of 100 μL. The assay buffer was 100 mM HEPES, pH 7.5...


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM179749
PNG
(US9676701, 57 (trans)-2-(6-(4-methylthiophen-3-yl)...)
Show SMILES Cc1cscc1-c1ccc(cn1)[C@H]1C[C@@H]1N
Show InChI InChI=1S/C13H14N2S/c1-8-6-16-7-11(8)13-3-2-9(5-15-13)10-4-12(10)14/h2-3,5-7,10,12H,4,14H2,1H3/t10-,12+/m1/s1
PDB

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Oryzon Genomics, S.A.

US Patent


Assay Description
Assays were conducted in 96-well black plates with clear bottom (Corning) in a final volume of 100 μL. The assay buffer was 100 mM HEPES, pH 7.5...


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM179749
PNG
(US9676701, 57 (trans)-2-(6-(4-methylthiophen-3-yl)...)
Show SMILES Cc1cscc1-c1ccc(cn1)[C@H]1C[C@@H]1N
Show InChI InChI=1S/C13H14N2S/c1-8-6-16-7-11(8)13-3-2-9(5-15-13)10-4-12(10)14/h2-3,5-7,10,12H,4,14H2,1H3/t10-,12+/m1/s1
PDB

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Oryzon Genomics, S.A.

US Patent


Assay Description
Assays were conducted in 96-well black plates with clear bottom (Corning) in a final volume of 100 μL. The assay buffer was 100 mM HEPES, pH 7.5...


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM179768
PNG
(US9676701, 58 (Trans)-2-(6-(3,4-difluoro-5-methoxy...)
Show SMILES COc1cc(cc(F)c1F)-c1ccc(cn1)[C@H]1C[C@@H]1N
Show InChI InChI=1S/C15H14F2N2O/c1-20-14-5-9(4-11(16)15(14)17)13-3-2-8(7-19-13)10-6-12(10)18/h2-5,7,10,12H,6,18H2,1H3/t10-,12+/m1/s1
PDB

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Oryzon Genomics, S.A.

US Patent


Assay Description
Assays were conducted in 96-well black plates with clear bottom (Corning) in a final volume of 100 μL. The assay buffer was 100 mM HEPES, pH 7.5...


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM179768
PNG
(US9676701, 58 (Trans)-2-(6-(3,4-difluoro-5-methoxy...)
Show SMILES COc1cc(cc(F)c1F)-c1ccc(cn1)[C@H]1C[C@@H]1N
Show InChI InChI=1S/C15H14F2N2O/c1-20-14-5-9(4-11(16)15(14)17)13-3-2-8(7-19-13)10-6-12(10)18/h2-5,7,10,12H,6,18H2,1H3/t10-,12+/m1/s1
PDB

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Oryzon Genomics, S.A.

US Patent


Assay Description
Assays were conducted in 96-well black plates with clear bottom (Corning) in a final volume of 100 μL. The assay buffer was 100 mM HEPES, pH 7.5...


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM179823
PNG
(US9676701, 59 5-(5-((trans)-2-aminocyclopropyl)pyr...)
Show SMILES N[C@H]1C[C@@H]1c1ccc(nc1)-c1cc(O)c(F)c(F)c1
Show InChI InChI=1S/C14H12F2N2O/c15-10-3-8(4-13(19)14(10)16)12-2-1-7(6-18-12)9-5-11(9)17/h1-4,6,9,11,19H,5,17H2/t9-,11+/m1/s1
PDB

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>1.00E+3n/an/an/an/an/an/a7.5n/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Assays were conducted in 96-well black plates with clear bottom (Corning) in a final volume of 100 μL. The assay buffer was 100 mM HEPES, pH 7.5...


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM179824
PNG
(US9676701, 60 (Trans)-2-(6-(1H-indazol-6-yl)pyridi...)
Show SMILES N[C@H]1C[C@@H]1c1ccc(nc1)-c1ccc2cn[nH]c2c1
PDB

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>1.00E+3n/an/an/an/an/an/a7.5n/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Assays were conducted in 96-well black plates with clear bottom (Corning) in a final volume of 100 μL. The assay buffer was 100 mM HEPES, pH 7.5...


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM179824
PNG
(US9676701, 60 (Trans)-2-(6-(1H-indazol-6-yl)pyridi...)
Show SMILES N[C@H]1C[C@@H]1c1ccc(nc1)-c1ccc2cn[nH]c2c1
PDB

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>1.00E+3n/an/an/an/an/an/a7.5n/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Assays were conducted in 96-well black plates with clear bottom (Corning) in a final volume of 100 μL. The assay buffer was 100 mM HEPES, pH 7.5...


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM179825
PNG
(US9676701, 61 (Trans)-2-(6-(9H-carbazol-2-yl)pyrid...)
Show SMILES N[C@H]1C[C@@H]1c1ccc(nc1)-c1ccc2c(c1)[nH]c1ccccc21
PDB

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>1.00E+3n/an/an/an/an/an/a7.5n/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Assays were conducted in 96-well black plates with clear bottom (Corning) in a final volume of 100 μL. The assay buffer was 100 mM HEPES, pH 7.5...


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM179825
PNG
(US9676701, 61 (Trans)-2-(6-(9H-carbazol-2-yl)pyrid...)
Show SMILES N[C@H]1C[C@@H]1c1ccc(nc1)-c1ccc2c(c1)[nH]c1ccccc21
PDB

UniProtKB/SwissProt

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>1.00E+3n/an/an/an/an/an/a7.5n/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Assays were conducted in 96-well black plates with clear bottom (Corning) in a final volume of 100 μL. The assay buffer was 100 mM HEPES, pH 7.5...


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM179826
PNG
(US9676701, 62 6-(5-((trans)-2-aminocyclopropyl)pyr...)
Show SMILES N[C@H]1C[C@@H]1c1ccc(nc1)-c1ccc2CC(=O)Nc2c1
Show InChI InChI=1S/C16H15N3O/c17-13-7-12(13)11-3-4-14(18-8-11)9-1-2-10-6-16(20)19-15(10)5-9/h1-5,8,12-13H,6-7,17H2,(H,19,20)/t12-,13+/m1/s1
PDB

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>1.00E+3n/an/an/an/an/an/a7.5n/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Assays were conducted in 96-well black plates with clear bottom (Corning) in a final volume of 100 μL. The assay buffer was 100 mM HEPES, pH 7.5...


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM179826
PNG
(US9676701, 62 6-(5-((trans)-2-aminocyclopropyl)pyr...)
Show SMILES N[C@H]1C[C@@H]1c1ccc(nc1)-c1ccc2CC(=O)Nc2c1
Show InChI InChI=1S/C16H15N3O/c17-13-7-12(13)11-3-4-14(18-8-11)9-1-2-10-6-16(20)19-15(10)5-9/h1-5,8,12-13H,6-7,17H2,(H,19,20)/t12-,13+/m1/s1
PDB

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>1.00E+3n/an/an/an/an/an/a7.5n/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Assays were conducted in 96-well black plates with clear bottom (Corning) in a final volume of 100 μL. The assay buffer was 100 mM HEPES, pH 7.5...


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM50445349
PNG
(CHEMBL3104261 | US9676701, 63 Enantiomers of 4R...)
Show SMILES N[C@@H]1C[C@H]1c1ccc(cc1)-c1cccc(O)c1
Show InChI InChI=1S/C15H15NO/c16-15-9-14(15)11-6-4-10(5-7-11)12-2-1-3-13(17)8-12/h1-8,14-15,17H,9,16H2/t14-,15+/m0/s1
PDB

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>1.00E+3n/an/an/an/an/an/a7.5n/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Assays were conducted in 96-well black plates with clear bottom (Corning) in a final volume of 100 μL. The assay buffer was 100 mM HEPES, pH 7.5...


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50445349
PNG
(CHEMBL3104261 | US9676701, 63 Enantiomers of 4R...)
Show SMILES N[C@@H]1C[C@H]1c1ccc(cc1)-c1cccc(O)c1
Show InChI InChI=1S/C15H15NO/c16-15-9-14(15)11-6-4-10(5-7-11)12-2-1-3-13(17)8-12/h1-8,14-15,17H,9,16H2/t14-,15+/m0/s1
PDB

UniProtKB/SwissProt

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>1.00E+3n/an/an/an/an/an/a7.5n/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Assays were conducted in 96-well black plates with clear bottom (Corning) in a final volume of 100 μL. The assay buffer was 100 mM HEPES, pH 7.5...


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
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