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Compile Data Set for Download or QSAR

Found 68 hits Enz. Inhib. hit(s) with all data for entry = 7688   
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
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM210775
PNG
(US10463663, Example 4 | US11129828, Example 4 | US...)
Show SMILES Oc1cc(SCc2ccc(Cl)cc2)n[nH]c1=O
Show InChI InChI=1S/C11H9ClN2O2S/c12-8-3-1-7(2-4-8)6-17-10-5-9(15)11(16)14-13-10/h1-5H,6H2,(H,13,15)(H,14,16)
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n/an/a 3.70n/an/an/an/a7.425



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Human DAAO enzyme was supplied by the Takeda Pharmaceutical Company (Osaka) and each batch was tested and used at concentrations giving comparable le...


US Patent US9290456 (2016)


BindingDB Entry DOI: 10.7270/Q2RF5SW0
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM210789
PNG
(US10463663, Example 24 | US11129828, Example 24 | ...)
Show SMILES Cc1cc(CCc2cc(O)c(=O)[nH]n2)ccc1F
Show InChI InChI=1S/C13H13FN2O2/c1-8-6-9(3-5-11(8)14)2-4-10-7-12(17)13(18)16-15-10/h3,5-7H,2,4H2,1H3,(H,15,17)(H,16,18)
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n/an/a 6n/an/an/an/a7.425



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Human DAAO enzyme was supplied by the Takeda Pharmaceutical Company (Osaka) and each batch was tested and used at concentrations giving comparable le...


US Patent US9290456 (2016)


BindingDB Entry DOI: 10.7270/Q2RF5SW0
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM210785
PNG
(US10463663, Example 20 | US11129828, Example 20 | ...)
Show SMILES Oc1cc(CCc2cccc(Cl)c2)n[nH]c1=O
Show InChI InChI=1S/C12H11ClN2O2/c13-9-3-1-2-8(6-9)4-5-10-7-11(16)12(17)15-14-10/h1-3,6-7H,4-5H2,(H,14,16)(H,15,17)
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n/an/a 8.40n/an/an/an/a7.425



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Human DAAO enzyme was supplied by the Takeda Pharmaceutical Company (Osaka) and each batch was tested and used at concentrations giving comparable le...


US Patent US9290456 (2016)


BindingDB Entry DOI: 10.7270/Q2RF5SW0
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50431067
PNG
(CHEMBL2338797 | US10202399, Example 18 | US1046366...)
Show SMILES Oc1cc(CCc2cccc(F)c2)n[nH]c1=O
Show InChI InChI=1S/C12H11FN2O2/c13-9-3-1-2-8(6-9)4-5-10-7-11(16)12(17)15-14-10/h1-3,6-7H,4-5H2,(H,14,16)(H,15,17)
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n/an/a 9.70n/an/an/an/a7.425



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Human DAAO enzyme was supplied by the Takeda Pharmaceutical Company (Osaka) and each batch was tested and used at concentrations giving comparable le...


US Patent US9290456 (2016)


BindingDB Entry DOI: 10.7270/Q2RF5SW0
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM210777
PNG
(US10463663, Example 9 | US11129828, Example 9 | US...)
Show SMILES Oc1cc(CCc2ccc(F)c(F)c2)n[nH]c1=O
Show InChI InChI=1S/C12H10F2N2O2/c13-9-4-2-7(5-10(9)14)1-3-8-6-11(17)12(18)16-15-8/h2,4-6H,1,3H2,(H,15,17)(H,16,18)
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n/an/a 10n/an/an/an/a7.425



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Human DAAO enzyme was supplied by the Takeda Pharmaceutical Company (Osaka) and each batch was tested and used at concentrations giving comparable le...


US Patent US9290456 (2016)


BindingDB Entry DOI: 10.7270/Q2RF5SW0
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM210827
PNG
(US10463663, Example 67 | US11129828, Example 67 | ...)
Show SMILES Oc1cc(CCc2cc(F)c(c(F)c2)C(F)(F)F)n[nH]c1=O
Show InChI InChI=1S/C13H9F5N2O2/c14-8-3-6(4-9(15)11(8)13(16,17)18)1-2-7-5-10(21)12(22)20-19-7/h3-5H,1-2H2,(H,19,21)(H,20,22)
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n/an/a 10n/an/an/an/a7.425



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Human DAAO enzyme was supplied by the Takeda Pharmaceutical Company (Osaka) and each batch was tested and used at concentrations giving comparable le...


US Patent US9290456 (2016)


BindingDB Entry DOI: 10.7270/Q2RF5SW0
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50431078
PNG
(CHEMBL2338786 | US10463663, Example 1 | US11129828...)
Show SMILES Oc1cc(CCc2ccccc2)n[nH]c1=O
Show InChI InChI=1S/C12H12N2O2/c15-11-8-10(13-14-12(11)16)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,13,15)(H,14,16)
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n/an/a 10n/an/an/an/a7.425



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Human DAAO enzyme was supplied by the Takeda Pharmaceutical Company (Osaka) and each batch was tested and used at concentrations giving comparable le...


US Patent US9290456 (2016)


BindingDB Entry DOI: 10.7270/Q2RF5SW0
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50431086
PNG
(CHEMBL2338800 | US10202399, Example 212 | US104636...)
Show SMILES Oc1cc(CCc2ccc(F)cc2)n[nH]c1=O
Show InChI InChI=1S/C12H11FN2O2/c13-9-4-1-8(2-5-9)3-6-10-7-11(16)12(17)15-14-10/h1-2,4-5,7H,3,6H2,(H,14,16)(H,15,17)
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n/an/a 10n/an/an/an/a7.425



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Human DAAO enzyme was supplied by the Takeda Pharmaceutical Company (Osaka) and each batch was tested and used at concentrations giving comparable le...


US Patent US9290456 (2016)


BindingDB Entry DOI: 10.7270/Q2RF5SW0
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50431083
PNG
(CHEMBL2338803 | US10202399, Example 24 | US1046366...)
Show SMILES Oc1cc(CCc2cc(F)cc(F)c2)n[nH]c1=O
Show InChI InChI=1S/C12H10F2N2O2/c13-8-3-7(4-9(14)5-8)1-2-10-6-11(17)12(18)16-15-10/h3-6H,1-2H2,(H,15,17)(H,16,18)
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n/an/a 11n/an/an/an/a7.425



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Human DAAO enzyme was supplied by the Takeda Pharmaceutical Company (Osaka) and each batch was tested and used at concentrations giving comparable le...


US Patent US9290456 (2016)


BindingDB Entry DOI: 10.7270/Q2RF5SW0
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM210826
PNG
(US10463663, Example 66 | US11129828, Example 66 | ...)
Show SMILES Cc1cc(ccc1CCc1cc(O)c(=O)[nH]n1)C(F)(F)F
Show InChI InChI=1S/C14H13F3N2O2/c1-8-6-10(14(15,16)17)4-2-9(8)3-5-11-7-12(20)13(21)19-18-11/h2,4,6-7H,3,5H2,1H3,(H,18,20)(H,19,21)
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n/an/a 12n/an/an/an/a7.425



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Human DAAO enzyme was supplied by the Takeda Pharmaceutical Company (Osaka) and each batch was tested and used at concentrations giving comparable le...


US Patent US9290456 (2016)


BindingDB Entry DOI: 10.7270/Q2RF5SW0
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM210810
PNG
(US10463663, Example 48 | US11129828, Example 48 | ...)
Show SMILES Cc1cccc(Cc2cc(O)c(=O)[nH]n2)c1
Show InChI InChI=1S/C12H12N2O2/c1-8-3-2-4-9(5-8)6-10-7-11(15)12(16)14-13-10/h2-5,7H,6H2,1H3,(H,13,15)(H,14,16)
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n/an/a 12n/an/an/an/a7.425



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Human DAAO enzyme was supplied by the Takeda Pharmaceutical Company (Osaka) and each batch was tested and used at concentrations giving comparable le...


US Patent US9290456 (2016)


BindingDB Entry DOI: 10.7270/Q2RF5SW0
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM210802
PNG
(US10463663, Example 40 | US11129828, Example 40 | ...)
Show SMILES Oc1cc(Cc2ccc(Cl)cc2)n[nH]c1=O
Show InChI InChI=1S/C11H9ClN2O2/c12-8-3-1-7(2-4-8)5-9-6-10(15)11(16)14-13-9/h1-4,6H,5H2,(H,13,15)(H,14,16)
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n/an/a 12n/an/an/an/a7.425



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Human DAAO enzyme was supplied by the Takeda Pharmaceutical Company (Osaka) and each batch was tested and used at concentrations giving comparable le...


US Patent US9290456 (2016)


BindingDB Entry DOI: 10.7270/Q2RF5SW0
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM210784
PNG
(US10463663, Example 19 | US11129828, Example 19 | ...)
Show SMILES Oc1cc(Cc2ccccc2)n[nH]c1=O
Show InChI InChI=1S/C11H10N2O2/c14-10-7-9(12-13-11(10)15)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,12,14)(H,13,15)
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n/an/a 12n/an/an/an/a7.425



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Human DAAO enzyme was supplied by the Takeda Pharmaceutical Company (Osaka) and each batch was tested and used at concentrations giving comparable le...


US Patent US9290456 (2016)


BindingDB Entry DOI: 10.7270/Q2RF5SW0
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM210787
PNG
(US10463663, Example 22 | US11129828, Example 22 | ...)
Show SMILES Oc1cc(CCc2ccc(cc2)C#N)n[nH]c1=O
Show InChI InChI=1S/C13H11N3O2/c14-8-10-3-1-9(2-4-10)5-6-11-7-12(17)13(18)16-15-11/h1-4,7H,5-6H2,(H,15,17)(H,16,18)
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n/an/a 13n/an/an/an/a7.425



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Human DAAO enzyme was supplied by the Takeda Pharmaceutical Company (Osaka) and each batch was tested and used at concentrations giving comparable le...


US Patent US9290456 (2016)


BindingDB Entry DOI: 10.7270/Q2RF5SW0
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM196661
PNG
(US10202399, Example 21 | US10463663, Example 17 | ...)
Show SMILES Oc1cc(CCc2ccc(F)cc2F)n[nH]c1=O
Show InChI InChI=1S/C12H10F2N2O2/c13-8-3-1-7(10(14)5-8)2-4-9-6-11(17)12(18)16-15-9/h1,3,5-6H,2,4H2,(H,15,17)(H,16,18)
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n/an/a 13n/an/an/an/a7.425



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Human DAAO enzyme was supplied by the Takeda Pharmaceutical Company (Osaka) and each batch was tested and used at concentrations giving comparable le...


US Patent US9290456 (2016)


BindingDB Entry DOI: 10.7270/Q2RF5SW0
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM210825
PNG
(US10463663, Example 65 | US11129828, Example 65 | ...)
Show SMILES Oc1cc(CCc2ccc(c(Cl)c2)C(F)(F)F)n[nH]c1=O
Show InChI InChI=1S/C13H10ClF3N2O2/c14-10-5-7(2-4-9(10)13(15,16)17)1-3-8-6-11(20)12(21)19-18-8/h2,4-6H,1,3H2,(H,18,20)(H,19,21)
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n/an/a 13n/an/an/an/a7.425



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Human DAAO enzyme was supplied by the Takeda Pharmaceutical Company (Osaka) and each batch was tested and used at concentrations giving comparable le...


US Patent US9290456 (2016)


BindingDB Entry DOI: 10.7270/Q2RF5SW0
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM210824
PNG
(US10463663, Example 64 | US11129828, Example 64 | ...)
Show SMILES Cc1cc(CCc2cc(O)c(=O)[nH]n2)ccc1C(F)(F)F
Show InChI InChI=1S/C14H13F3N2O2/c1-8-6-9(3-5-11(8)14(15,16)17)2-4-10-7-12(20)13(21)19-18-10/h3,5-7H,2,4H2,1H3,(H,18,20)(H,19,21)
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n/an/a 13n/an/an/an/a7.425



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Human DAAO enzyme was supplied by the Takeda Pharmaceutical Company (Osaka) and each batch was tested and used at concentrations giving comparable le...


US Patent US9290456 (2016)


BindingDB Entry DOI: 10.7270/Q2RF5SW0
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM210801
PNG
(US10463663, Example 39 | US11129828, Example 39 | ...)
Show SMILES Oc1cc(Cc2cccc(Cl)c2)n[nH]c1=O
Show InChI InChI=1S/C11H9ClN2O2/c12-8-3-1-2-7(4-8)5-9-6-10(15)11(16)14-13-9/h1-4,6H,5H2,(H,13,15)(H,14,16)
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n/an/a 13n/an/an/an/a7.425



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Human DAAO enzyme was supplied by the Takeda Pharmaceutical Company (Osaka) and each batch was tested and used at concentrations giving comparable le...


US Patent US9290456 (2016)


BindingDB Entry DOI: 10.7270/Q2RF5SW0
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50431074
PNG
(CHEMBL2338790 | US10463663, Example 27 | US1112982...)
Show SMILES Oc1cc(CCc2ccc(Cl)cc2)n[nH]c1=O
Show InChI InChI=1S/C12H11ClN2O2/c13-9-4-1-8(2-5-9)3-6-10-7-11(16)12(17)15-14-10/h1-2,4-5,7H,3,6H2,(H,14,16)(H,15,17)
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n/an/a 13n/an/an/an/a7.425



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Human DAAO enzyme was supplied by the Takeda Pharmaceutical Company (Osaka) and each batch was tested and used at concentrations giving comparable le...


US Patent US9290456 (2016)


BindingDB Entry DOI: 10.7270/Q2RF5SW0
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50431069
PNG
(CHEMBL2338795 | US10202399, Example 27 | US1046366...)
Show SMILES Oc1cc(CCc2ccccc2F)n[nH]c1=O
Show InChI InChI=1S/C12H11FN2O2/c13-10-4-2-1-3-8(10)5-6-9-7-11(16)12(17)15-14-9/h1-4,7H,5-6H2,(H,14,16)(H,15,17)
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n/an/a 13n/an/an/an/a7.425



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Human DAAO enzyme was supplied by the Takeda Pharmaceutical Company (Osaka) and each batch was tested and used at concentrations giving comparable le...


US Patent US9290456 (2016)


BindingDB Entry DOI: 10.7270/Q2RF5SW0
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM210783
PNG
(US10463663, Example 18 | US11129828, Example 18 | ...)
Show SMILES Oc1cc(CCc2cccc(c2)C(F)F)n[nH]c1=O
Show InChI InChI=1S/C13H12F2N2O2/c14-12(15)9-3-1-2-8(6-9)4-5-10-7-11(18)13(19)17-16-10/h1-3,6-7,12H,4-5H2,(H,16,18)(H,17,19)
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n/an/a 14n/an/an/an/a7.425



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Human DAAO enzyme was supplied by the Takeda Pharmaceutical Company (Osaka) and each batch was tested and used at concentrations giving comparable le...


US Patent US9290456 (2016)


BindingDB Entry DOI: 10.7270/Q2RF5SW0
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM210816
PNG
(US10463663, Example 54 | US11129828, Example 54 | ...)
Show SMILES Oc1cc(CCc2c(F)cccc2Cl)n[nH]c1=O
Show InChI InChI=1S/C12H10ClFN2O2/c13-9-2-1-3-10(14)8(9)5-4-7-6-11(17)12(18)16-15-7/h1-3,6H,4-5H2,(H,15,17)(H,16,18)
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n/an/a 14n/an/an/an/a7.425



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Human DAAO enzyme was supplied by the Takeda Pharmaceutical Company (Osaka) and each batch was tested and used at concentrations giving comparable le...


US Patent US9290456 (2016)


BindingDB Entry DOI: 10.7270/Q2RF5SW0
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM210788
PNG
(US10463663, Example 23 | US11129828, Example 23 | ...)
Show SMILES Cc1ccc(CCc2cc(O)c(=O)[nH]n2)cc1F
Show InChI InChI=1S/C13H13FN2O2/c1-8-2-3-9(6-11(8)14)4-5-10-7-12(17)13(18)16-15-10/h2-3,6-7H,4-5H2,1H3,(H,15,17)(H,16,18)
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n/an/a 14n/an/an/an/a7.425



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Human DAAO enzyme was supplied by the Takeda Pharmaceutical Company (Osaka) and each batch was tested and used at concentrations giving comparable le...


US Patent US9290456 (2016)


BindingDB Entry DOI: 10.7270/Q2RF5SW0
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM210823
PNG
(US10463663, Example 63 | US11129828, Example 63 | ...)
Show SMILES Oc1cc(CCc2ccc(c(c2)C(F)(F)F)C(F)(F)F)n[nH]c1=O
Show InChI InChI=1S/C14H10F6N2O2/c15-13(16,17)9-4-2-7(5-10(9)14(18,19)20)1-3-8-6-11(23)12(24)22-21-8/h2,4-6H,1,3H2,(H,21,23)(H,22,24)
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n/an/a 15n/an/an/an/a7.425



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Human DAAO enzyme was supplied by the Takeda Pharmaceutical Company (Osaka) and each batch was tested and used at concentrations giving comparable le...


US Patent US9290456 (2016)


BindingDB Entry DOI: 10.7270/Q2RF5SW0
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM210804
PNG
(US10463663, Example 42 | US11129828, Example 42 | ...)
Show SMILES Oc1cc(Cc2ccc(F)cc2)n[nH]c1=O
Show InChI InChI=1S/C11H9FN2O2/c12-8-3-1-7(2-4-8)5-9-6-10(15)11(16)14-13-9/h1-4,6H,5H2,(H,13,15)(H,14,16)
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n/an/a 15n/an/an/an/a7.425



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Human DAAO enzyme was supplied by the Takeda Pharmaceutical Company (Osaka) and each batch was tested and used at concentrations giving comparable le...


US Patent US9290456 (2016)


BindingDB Entry DOI: 10.7270/Q2RF5SW0
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM210821
PNG
(US10463663, Example 60 | US11129828, Example 60 | ...)
Show SMILES Oc1cc(CCc2ccc(cc2F)C(F)(F)F)n[nH]c1=O
Show InChI InChI=1S/C13H10F4N2O2/c14-10-5-8(13(15,16)17)3-1-7(10)2-4-9-6-11(20)12(21)19-18-9/h1,3,5-6H,2,4H2,(H,18,20)(H,19,21)
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n/an/a 15n/an/an/an/a7.425



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Human DAAO enzyme was supplied by the Takeda Pharmaceutical Company (Osaka) and each batch was tested and used at concentrations giving comparable le...


US Patent US9290456 (2016)


BindingDB Entry DOI: 10.7270/Q2RF5SW0
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM210808
PNG
(US10463663, Example 46 | US11129828, Example 46 | ...)
Show SMILES Oc1cc(Cc2ccccc2F)n[nH]c1=O
Show InChI InChI=1S/C11H9FN2O2/c12-9-4-2-1-3-7(9)5-8-6-10(15)11(16)14-13-8/h1-4,6H,5H2,(H,13,15)(H,14,16)
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n/an/a 15n/an/an/an/a7.425



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Human DAAO enzyme was supplied by the Takeda Pharmaceutical Company (Osaka) and each batch was tested and used at concentrations giving comparable le...


US Patent US9290456 (2016)


BindingDB Entry DOI: 10.7270/Q2RF5SW0
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM210781
PNG
(US10463663, Example 15 | US11129828, Example 15 | ...)
Show SMILES Oc1cc(CCC2CCCC2)n[nH]c1=O
Show InChI InChI=1S/C11H16N2O2/c14-10-7-9(12-13-11(10)15)6-5-8-3-1-2-4-8/h7-8H,1-6H2,(H,12,14)(H,13,15)
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n/an/a 16n/an/an/an/a7.425



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Human DAAO enzyme was supplied by the Takeda Pharmaceutical Company (Osaka) and each batch was tested and used at concentrations giving comparable le...


US Patent US9290456 (2016)


BindingDB Entry DOI: 10.7270/Q2RF5SW0
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50431066
PNG
(CHEMBL2338798 | US10202399, Example 17 | US1046366...)
Show SMILES Oc1cc(CCc2cccc(c2)C(F)(F)F)n[nH]c1=O
Show InChI InChI=1S/C13H11F3N2O2/c14-13(15,16)9-3-1-2-8(6-9)4-5-10-7-11(19)12(20)18-17-10/h1-3,6-7H,4-5H2,(H,17,19)(H,18,20)
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n/an/a 16n/an/an/an/a7.425



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Human DAAO enzyme was supplied by the Takeda Pharmaceutical Company (Osaka) and each batch was tested and used at concentrations giving comparable le...


US Patent US9290456 (2016)


BindingDB Entry DOI: 10.7270/Q2RF5SW0
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM210795
PNG
(US10463663, Example 32 | US11129828, Example 32 | ...)
Show SMILES Oc1cc(CCc2cccc(OC(F)F)c2)n[nH]c1=O
Show InChI InChI=1S/C13H12F2N2O3/c14-13(15)20-10-3-1-2-8(6-10)4-5-9-7-11(18)12(19)17-16-9/h1-3,6-7,13H,4-5H2,(H,16,18)(H,17,19)
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n/an/a 16n/an/an/an/a7.425



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Human DAAO enzyme was supplied by the Takeda Pharmaceutical Company (Osaka) and each batch was tested and used at concentrations giving comparable le...


US Patent US9290456 (2016)


BindingDB Entry DOI: 10.7270/Q2RF5SW0
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM210807
PNG
(US10463663, Example 45 | US11129828, Example 45 | ...)
Show SMILES Oc1cc(Cc2cccc(F)c2)n[nH]c1=O
Show InChI InChI=1S/C11H9FN2O2/c12-8-3-1-2-7(4-8)5-9-6-10(15)11(16)14-13-9/h1-4,6H,5H2,(H,13,15)(H,14,16)
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n/an/a 18n/an/an/an/a7.425



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Human DAAO enzyme was supplied by the Takeda Pharmaceutical Company (Osaka) and each batch was tested and used at concentrations giving comparable le...


US Patent US9290456 (2016)


BindingDB Entry DOI: 10.7270/Q2RF5SW0
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM210793
PNG
(US10463663, Example 30 | US11129828, Example 30 | ...)
Show SMILES Oc1cc(CCc2ccc(OC(F)F)cc2)n[nH]c1=O
Show InChI InChI=1S/C13H12F2N2O3/c14-13(15)20-10-5-2-8(3-6-10)1-4-9-7-11(18)12(19)17-16-9/h2-3,5-7,13H,1,4H2,(H,16,18)(H,17,19)
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n/an/a 18n/an/an/an/a7.425



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Human DAAO enzyme was supplied by the Takeda Pharmaceutical Company (Osaka) and each batch was tested and used at concentrations giving comparable le...


US Patent US9290456 (2016)


BindingDB Entry DOI: 10.7270/Q2RF5SW0
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50431085
PNG
(CHEMBL2338801 | US10202399, Example 12 | US1046366...)
Show SMILES Oc1cc(CCc2ccc(cc2)C(F)(F)F)n[nH]c1=O
Show InChI InChI=1S/C13H11F3N2O2/c14-13(15,16)9-4-1-8(2-5-9)3-6-10-7-11(19)12(20)18-17-10/h1-2,4-5,7H,3,6H2,(H,17,19)(H,18,20)
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n/an/a 19n/an/an/an/a7.425



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Human DAAO enzyme was supplied by the Takeda Pharmaceutical Company (Osaka) and each batch was tested and used at concentrations giving comparable le...


US Patent US9290456 (2016)


BindingDB Entry DOI: 10.7270/Q2RF5SW0
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM210815
PNG
(US10463663, Example 53 | US11129828, Example 53 | ...)
Show SMILES Oc1cc(CCc2c(F)cccc2F)n[nH]c1=O
Show InChI InChI=1S/C12H10F2N2O2/c13-9-2-1-3-10(14)8(9)5-4-7-6-11(17)12(18)16-15-7/h1-3,6H,4-5H2,(H,15,17)(H,16,18)
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n/an/a 19n/an/an/an/a7.425



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Human DAAO enzyme was supplied by the Takeda Pharmaceutical Company (Osaka) and each batch was tested and used at concentrations giving comparable le...


US Patent US9290456 (2016)


BindingDB Entry DOI: 10.7270/Q2RF5SW0
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM210820
PNG
(US10463663, Example 59 | US11129828, Example 59 | ...)
Show SMILES Oc1cc(CCc2ccc(cc2Cl)C(F)(F)F)n[nH]c1=O
Show InChI InChI=1S/C13H10ClF3N2O2/c14-10-5-8(13(15,16)17)3-1-7(10)2-4-9-6-11(20)12(21)19-18-9/h1,3,5-6H,2,4H2,(H,18,20)(H,19,21)
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n/an/a 19n/an/an/an/a7.425



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Human DAAO enzyme was supplied by the Takeda Pharmaceutical Company (Osaka) and each batch was tested and used at concentrations giving comparable le...


US Patent US9290456 (2016)


BindingDB Entry DOI: 10.7270/Q2RF5SW0
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM210828
PNG
(US10463663, Example 68 | US11129828, Example 68 | ...)
Show SMILES Oc1cc(CCc2ccc(c(F)c2)C(F)(F)F)n[nH]c1=O
Show InChI InChI=1S/C13H10F4N2O2/c14-10-5-7(2-4-9(10)13(15,16)17)1-3-8-6-11(20)12(21)19-18-8/h2,4-6H,1,3H2,(H,18,20)(H,19,21)
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n/an/a 19n/an/an/an/a7.425



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Human DAAO enzyme was supplied by the Takeda Pharmaceutical Company (Osaka) and each batch was tested and used at concentrations giving comparable le...


US Patent US9290456 (2016)


BindingDB Entry DOI: 10.7270/Q2RF5SW0
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM210792
PNG
(US10463663, Example 28 | US11129828, Example 28 | ...)
Show SMILES Oc1cc(CCc2ccccc2Cl)n[nH]c1=O
Show InChI InChI=1S/C12H11ClN2O2/c13-10-4-2-1-3-8(10)5-6-9-7-11(16)12(17)15-14-9/h1-4,7H,5-6H2,(H,14,16)(H,15,17)
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n/an/a 20n/an/an/an/a7.425



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Human DAAO enzyme was supplied by the Takeda Pharmaceutical Company (Osaka) and each batch was tested and used at concentrations giving comparable le...


US Patent US9290456 (2016)


BindingDB Entry DOI: 10.7270/Q2RF5SW0
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM210800
PNG
(US10463663, Example 38 | US11129828, Example 38 | ...)
Show SMILES CN(CC1CCCCC1)c1cc(O)c(=O)[nH]n1
Show InChI InChI=1S/C12H19N3O2/c1-15(8-9-5-3-2-4-6-9)11-7-10(16)12(17)14-13-11/h7,9H,2-6,8H2,1H3,(H,13,16)(H,14,17)
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n/an/a 20n/an/an/an/a7.425



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Human DAAO enzyme was supplied by the Takeda Pharmaceutical Company (Osaka) and each batch was tested and used at concentrations giving comparable le...


US Patent US9290456 (2016)


BindingDB Entry DOI: 10.7270/Q2RF5SW0
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM210794
PNG
(US10202399, Example 28 | US10463663, Example 31 | ...)
Show SMILES Oc1cc(CCc2ccc(OC(F)(F)F)cc2)n[nH]c1=O
Show InChI InChI=1S/C13H11F3N2O3/c14-13(15,16)21-10-5-2-8(3-6-10)1-4-9-7-11(19)12(20)18-17-9/h2-3,5-7H,1,4H2,(H,17,19)(H,18,20)
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n/an/a 20n/an/an/an/a7.425



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Human DAAO enzyme was supplied by the Takeda Pharmaceutical Company (Osaka) and each batch was tested and used at concentrations giving comparable le...


US Patent US9290456 (2016)


BindingDB Entry DOI: 10.7270/Q2RF5SW0
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM210773
PNG
(US11129828, Example 3 | US9290456, 3 | US9931340, ...)
Show SMILES Oc1cc(CCc2ccc(cn2)C(F)(F)F)n[nH]c1=O
Show InChI InChI=1S/C12H10F3N3O2/c13-12(14,15)7-1-2-8(16-6-7)3-4-9-5-10(19)11(20)18-17-9/h1-2,5-6H,3-4H2,(H,17,19)(H,18,20)
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n/an/a 21n/an/an/an/a7.425



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Human DAAO enzyme was supplied by the Takeda Pharmaceutical Company (Osaka) and each batch was tested and used at concentrations giving comparable le...


US Patent US9290456 (2016)


BindingDB Entry DOI: 10.7270/Q2RF5SW0
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM210786
PNG
(US10463663, Example 21 | US11129828, Example 21 | ...)
Show SMILES Oc1cc(n[nH]c1=O)C1(CC1)c1ccccc1
Show InChI InChI=1S/C13H12N2O2/c16-10-8-11(14-15-12(10)17)13(6-7-13)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,14,16)(H,15,17)
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n/an/a 21n/an/an/an/a7.425



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Human DAAO enzyme was supplied by the Takeda Pharmaceutical Company (Osaka) and each batch was tested and used at concentrations giving comparable le...


US Patent US9290456 (2016)


BindingDB Entry DOI: 10.7270/Q2RF5SW0
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM210806
PNG
(US10463663, Example 44 | US11129828, Example 44 | ...)
Show SMILES Oc1cc(Cc2ccccc2Cl)n[nH]c1=O
Show InChI InChI=1S/C11H9ClN2O2/c12-9-4-2-1-3-7(9)5-8-6-10(15)11(16)14-13-8/h1-4,6H,5H2,(H,13,15)(H,14,16)
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n/an/a 22n/an/an/an/a7.425



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Human DAAO enzyme was supplied by the Takeda Pharmaceutical Company (Osaka) and each batch was tested and used at concentrations giving comparable le...


US Patent US9290456 (2016)


BindingDB Entry DOI: 10.7270/Q2RF5SW0
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM210778
PNG
(US10463663, Example 10 | US11129828, Example 26 | ...)
Show SMILES Oc1cc(CCc2cccc(OC(F)(F)F)c2)n[nH]c1=O
Show InChI InChI=1S/C13H11F3N2O3/c14-13(15,16)21-10-3-1-2-8(6-10)4-5-9-7-11(19)12(20)18-17-9/h1-3,6-7H,4-5H2,(H,17,19)(H,18,20)
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n/an/a 22n/an/an/an/a7.425



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Human DAAO enzyme was supplied by the Takeda Pharmaceutical Company (Osaka) and each batch was tested and used at concentrations giving comparable le...


US Patent US9290456 (2016)


BindingDB Entry DOI: 10.7270/Q2RF5SW0
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM210778
PNG
(US10463663, Example 10 | US11129828, Example 26 | ...)
Show SMILES Oc1cc(CCc2cccc(OC(F)(F)F)c2)n[nH]c1=O
Show InChI InChI=1S/C13H11F3N2O3/c14-13(15,16)21-10-3-1-2-8(6-10)4-5-9-7-11(19)12(20)18-17-9/h1-3,6-7H,4-5H2,(H,17,19)(H,18,20)
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n/an/a 22n/an/an/an/a7.425



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Human DAAO enzyme was supplied by the Takeda Pharmaceutical Company (Osaka) and each batch was tested and used at concentrations giving comparable le...


US Patent US9290456 (2016)


BindingDB Entry DOI: 10.7270/Q2RF5SW0
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM210779
PNG
(US10463663, Example 50 | US11129828, Example 50 | ...)
Show SMILES Oc1cc(CCc2cncc(c2)C(F)(F)F)n[nH]c1=O
Show InChI InChI=1S/C12H10F3N3O2/c13-12(14,15)8-3-7(5-16-6-8)1-2-9-4-10(19)11(20)18-17-9/h3-6H,1-2H2,(H,17,19)(H,18,20)
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n/an/a 23n/an/an/an/a7.425



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Human DAAO enzyme was supplied by the Takeda Pharmaceutical Company (Osaka) and each batch was tested and used at concentrations giving comparable le...


US Patent US9290456 (2016)


BindingDB Entry DOI: 10.7270/Q2RF5SW0
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM210796
PNG
(US10463663, Example 33 | US11129828, Example 33 | ...)
Show SMILES Oc1cc(n[nH]c1=O)C1(CC1)c1ccc(F)cc1
Show InChI InChI=1S/C13H11FN2O2/c14-9-3-1-8(2-4-9)13(5-6-13)11-7-10(17)12(18)16-15-11/h1-4,7H,5-6H2,(H,15,17)(H,16,18)
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n/an/a 23n/an/an/an/a7.425



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Human DAAO enzyme was supplied by the Takeda Pharmaceutical Company (Osaka) and each batch was tested and used at concentrations giving comparable le...


US Patent US9290456 (2016)


BindingDB Entry DOI: 10.7270/Q2RF5SW0
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM210811
PNG
(US10463663, Example 49 | US11129828, Example 49 | ...)
Show SMILES Oc1cc(Cc2cccc(c2)C(F)(F)F)n[nH]c1=O
Show InChI InChI=1S/C12H9F3N2O2/c13-12(14,15)8-3-1-2-7(4-8)5-9-6-10(18)11(19)17-16-9/h1-4,6H,5H2,(H,16,18)(H,17,19)
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n/an/a 23n/an/an/an/a7.425



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Human DAAO enzyme was supplied by the Takeda Pharmaceutical Company (Osaka) and each batch was tested and used at concentrations giving comparable le...


US Patent US9290456 (2016)


BindingDB Entry DOI: 10.7270/Q2RF5SW0
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM210779
PNG
(US10463663, Example 50 | US11129828, Example 50 | ...)
Show SMILES Oc1cc(CCc2cncc(c2)C(F)(F)F)n[nH]c1=O
Show InChI InChI=1S/C12H10F3N3O2/c13-12(14,15)8-3-7(5-16-6-8)1-2-9-4-10(19)11(20)18-17-9/h3-6H,1-2H2,(H,17,19)(H,18,20)
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n/an/a 23n/an/an/an/a7.425



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Human DAAO enzyme was supplied by the Takeda Pharmaceutical Company (Osaka) and each batch was tested and used at concentrations giving comparable le...


US Patent US9290456 (2016)


BindingDB Entry DOI: 10.7270/Q2RF5SW0
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM210809
PNG
(US10463663, Example 47 | US11129828, Example 47 | ...)
Show SMILES Cc1ccc(Cc2cc(O)c(=O)[nH]n2)cc1
Show InChI InChI=1S/C12H12N2O2/c1-8-2-4-9(5-3-8)6-10-7-11(15)12(16)14-13-10/h2-5,7H,6H2,1H3,(H,13,15)(H,14,16)
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n/an/a 26n/an/an/an/a7.425



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Human DAAO enzyme was supplied by the Takeda Pharmaceutical Company (Osaka) and each batch was tested and used at concentrations giving comparable le...


US Patent US9290456 (2016)


BindingDB Entry DOI: 10.7270/Q2RF5SW0
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM210805
PNG
(US10463663, Example 43 | US11129828, Example 43 | ...)
Show SMILES Oc1cc(Cc2c(F)cccc2Cl)n[nH]c1=O
Show InChI InChI=1S/C11H8ClFN2O2/c12-8-2-1-3-9(13)7(8)4-6-5-10(16)11(17)15-14-6/h1-3,5H,4H2,(H,14,16)(H,15,17)
PDB
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n/an/a 26n/an/an/an/a7.425



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Human DAAO enzyme was supplied by the Takeda Pharmaceutical Company (Osaka) and each batch was tested and used at concentrations giving comparable le...


US Patent US9290456 (2016)


BindingDB Entry DOI: 10.7270/Q2RF5SW0
More data for this
Ligand-Target Pair
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