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Compile Data Set for Download or QSAR

Found 386 hits with Last Name = 'haze' and Initial = 'k'   
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/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The functional activity of compounds inhibiting the DAAO enzyme was determined by utilizing the co-product of the catalysis of D-Serine, H2O2 which c...


US Patent US10463663 (2019)


BindingDB Entry DOI: 10.7270/Q20K2BXG
More data for this
Ligand-Target Pair
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/an/an/a


TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q27W6GCR
More data for this
Ligand-Target Pair
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/an/an/a



Universita degli Studi di Firenze



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...


Bioorg Med Chem Lett 18: 4282-6 (2008)


BindingDB Entry DOI: 10.7270/Q2F76FWC
More data for this
Ligand-Target Pair
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
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50297965
PNG
((R)-3-(1-(2-chloro-4-(hydroxymethyl)phenyl)ethoxy)...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-c1cnc2ccccn12)c1ccc(CO)cc1Cl |r|
Show InChI InChI=1S/C21H18ClN3O3S/c1-12(14-6-5-13(11-26)8-15(14)22)28-17-9-18(29-20(17)21(23)27)16-10-24-19-4-2-3-7-25(16)19/h2-10,12,26H,11H2,1H3,(H2,23,27)/t12-/m1/s1
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Article
PubMed
n/an/a 4.90n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PLK1


Bioorg Med Chem Lett 19: 4673-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.084
BindingDB Entry DOI: 10.7270/Q22R3RQG
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/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The functional activity of compounds inhibiting the DAAO enzyme was determined by utilizing the co-product of the catalysis of D-Serine, H2O2 which c...


US Patent US10463663 (2019)


BindingDB Entry DOI: 10.7270/Q20K2BXG
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))
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/an/an/a



Universita degli Studi di Firenze



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...


Bioorg Med Chem Lett 18: 4282-6 (2008)


BindingDB Entry DOI: 10.7270/Q2F76FWC
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/an/an/a


TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q27W6GCR
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50297962
PNG
((R)-3-(1-(2-chlorophenyl)ethoxy)-5-(imidazo[1,2-a]...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-c1cnc2ccccn12)c1ccccc1Cl |r|
Show InChI InChI=1S/C20H16ClN3O2S/c1-12(13-6-2-3-7-14(13)21)26-16-10-17(27-19(16)20(22)25)15-11-23-18-8-4-5-9-24(15)18/h2-12H,1H3,(H2,22,25)/t12-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PLK1


Bioorg Med Chem Lett 19: 4673-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.084
BindingDB Entry DOI: 10.7270/Q22R3RQG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50297966
PNG
((R)-3-(1-(2-chlorophenyl)ethoxy)-5-(6-(hydroxymeth...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-c1cnc2ccc(CO)cn12)c1ccccc1Cl |r|
Show InChI InChI=1S/C21H18ClN3O3S/c1-12(14-4-2-3-5-15(14)22)28-17-8-18(29-20(17)21(23)27)16-9-24-19-7-6-13(11-26)10-25(16)19/h2-10,12,26H,11H2,1H3,(H2,23,27)/t12-/m1/s1
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n/an/a 7.30n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PLK1


Bioorg Med Chem Lett 19: 4673-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.084
BindingDB Entry DOI: 10.7270/Q22R3RQG
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/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The functional activity of compounds inhibiting the DAAO enzyme was determined by utilizing the co-product of the catalysis of D-Serine, H2O2 which c...


US Patent US10463663 (2019)


BindingDB Entry DOI: 10.7270/Q20K2BXG
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/an/an/a


TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q27W6GCR
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/an/an/a



Universita degli Studi di Firenze



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...


Bioorg Med Chem Lett 18: 4282-6 (2008)


BindingDB Entry DOI: 10.7270/Q2F76FWC
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/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The functional activity of compounds inhibiting the DAAO enzyme was determined by utilizing the co-product of the catalysis of D-Serine, H2O2 which c...


US Patent US10463663 (2019)


BindingDB Entry DOI: 10.7270/Q20K2BXG
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))
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/an/an/a


TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q27W6GCR
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/an/an/a



Universita degli Studi di Firenze



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...


Bioorg Med Chem Lett 18: 4282-6 (2008)


BindingDB Entry DOI: 10.7270/Q2F76FWC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50297985
PNG
((R)-3-(1-(4-((tert-butylamino)methyl)-2-(difluorom...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-c1cnc2ccccn12)c1ccc(CNC(C)(C)C)cc1OC(F)F |r|
Show InChI InChI=1S/C26H28F2N4O3S/c1-15(17-9-8-16(13-31-26(2,3)4)11-19(17)35-25(27)28)34-20-12-21(36-23(20)24(29)33)18-14-30-22-7-5-6-10-32(18)22/h5-12,14-15,25,31H,13H2,1-4H3,(H2,29,33)/t15-/m1/s1
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n/an/a 9.80n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PLK1


Bioorg Med Chem Lett 19: 4673-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.084
BindingDB Entry DOI: 10.7270/Q22R3RQG
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/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The functional activity of compounds inhibiting the DAAO enzyme was determined by utilizing the co-product of the catalysis of D-Serine, H2O2 which c...


US Patent US10463663 (2019)


BindingDB Entry DOI: 10.7270/Q20K2BXG
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/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The functional activity of compounds inhibiting the DAAO enzyme was determined by utilizing the co-product of the catalysis of D-Serine, H2O2 which c...


US Patent US10463663 (2019)


BindingDB Entry DOI: 10.7270/Q20K2BXG
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/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The functional activity of compounds inhibiting the DAAO enzyme was determined by utilizing the co-product of the catalysis of D-Serine, H2O2 which c...


US Patent US10463663 (2019)


BindingDB Entry DOI: 10.7270/Q20K2BXG
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))
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))
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/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The functional activity of compounds inhibiting the DAAO enzyme was determined by utilizing the co-product of the catalysis of D-Serine, H2O2 which c...


US Patent US10463663 (2019)


BindingDB Entry DOI: 10.7270/Q20K2BXG
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/an/an/a



Universita degli Studi di Firenze



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...


Bioorg Med Chem Lett 18: 4282-6 (2008)


BindingDB Entry DOI: 10.7270/Q2F76FWC
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/an/an/a



Universita degli Studi di Firenze



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...


Bioorg Med Chem Lett 18: 4282-6 (2008)


BindingDB Entry DOI: 10.7270/Q2F76FWC
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/an/an/a



Universita degli Studi di Firenze



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...


Bioorg Med Chem Lett 18: 4282-6 (2008)


BindingDB Entry DOI: 10.7270/Q2F76FWC
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/an/an/a



Universita degli Studi di Firenze



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...


Bioorg Med Chem Lett 18: 4282-6 (2008)


BindingDB Entry DOI: 10.7270/Q2F76FWC
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/an/an/a


TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q27W6GCR
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/an/an/a


TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q27W6GCR
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/an/an/a


TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q27W6GCR
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/an/an/a


TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q27W6GCR
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/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The functional activity of compounds inhibiting the DAAO enzyme was determined by utilizing the co-product of the catalysis of D-Serine, H2O2 which c...


US Patent US10463663 (2019)


BindingDB Entry DOI: 10.7270/Q20K2BXG
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))
BDBM337629
PNG
(6-Ethyl-4-hydroxypyridazin-3(2H)-one | US9750748, ...)
Show SMILES CCc1cc(O)c(=O)[nH]n1
Show InChI InChI=1S/C6H8N2O2/c1-2-4-3-5(9)6(10)8-7-4/h3H,2H2,1H3,(H,7,9)(H,8,10)
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n/an/a 11n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The functional activity of compounds inhibiting the DAAO enzyme was determined by utilizing the co-product of the catalysis of D-Serine, H2O2, which ...


US Patent US9750748 (2017)


BindingDB Entry DOI: 10.7270/Q27M0B1K
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/an/an/a



Universita degli Studi di Firenze



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...


Bioorg Med Chem Lett 18: 4282-6 (2008)


BindingDB Entry DOI: 10.7270/Q2F76FWC
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/an/an/a


TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q27W6GCR
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/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The functional activity of compounds inhibiting the DAAO enzyme was determined by utilizing the co-product of the catalysis of D-Serine, H2O2 which c...


US Patent US10463663 (2019)


BindingDB Entry DOI: 10.7270/Q20K2BXG
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))
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))
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))
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))
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/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The functional activity of compounds inhibiting the DAAO enzyme was determined by utilizing the co-product of the catalysis of D-Serine, H2O2 which c...


US Patent US10463663 (2019)


BindingDB Entry DOI: 10.7270/Q20K2BXG
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/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The functional activity of compounds inhibiting the DAAO enzyme was determined by utilizing the co-product of the catalysis of D-Serine, H2O2 which c...


US Patent US10463663 (2019)


BindingDB Entry DOI: 10.7270/Q20K2BXG
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/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The functional activity of compounds inhibiting the DAAO enzyme was determined by utilizing the co-product of the catalysis of D-Serine, H2O2 which c...


US Patent US10463663 (2019)


BindingDB Entry DOI: 10.7270/Q20K2BXG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50297971
PNG
((R)-3-(1-(2-chloro-4-((cyclopropylamino)methyl)phe...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-c1cnc2ccccn12)c1ccc(CNC2CC2)cc1Cl |r|
Show InChI InChI=1S/C24H23ClN4O2S/c1-14(17-8-5-15(10-18(17)25)12-27-16-6-7-16)31-20-11-21(32-23(20)24(26)30)19-13-28-22-4-2-3-9-29(19)22/h2-5,8-11,13-14,16,27H,6-7,12H2,1H3,(H2,26,30)/t14-/m1/s1
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Similars

Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PLK1


Bioorg Med Chem Lett 19: 4673-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.084
BindingDB Entry DOI: 10.7270/Q22R3RQG
More data for this
Ligand-Target Pair
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