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Compile Data Set for Download or QSAR

Found 1298 hits of ic50 data for polymerid = 2337,3714,3716,50000844,50006363,50006483,50006738,9269   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM196658
PNG
(US10202399, Example 15 | US9212147, 15)
Show SMILES Oc1cc(CCc2ccc(cc2)-c2ccccc2)n[nH]c1=O
Show InChI InChI=1S/C18H16N2O2/c21-17-12-16(19-20-18(17)22)11-8-13-6-9-15(10-7-13)14-4-2-1-3-5-14/h1-7,9-10,12H,8,11H2,(H,19,21)(H,20,22)
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US Patent
n/an/a 1.20n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The DAAO inhibitory activity was measured by assaying the amount of hydrogen peroxide (H2O2) produced by reacting DAAO protein with flavin adenine di...


US Patent US10202399 (2019)


BindingDB Entry DOI: 10.7270/Q2542QQD
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM196658
PNG
(US10202399, Example 15 | US9212147, 15)
Show SMILES Oc1cc(CCc2ccc(cc2)-c2ccccc2)n[nH]c1=O
Show InChI InChI=1S/C18H16N2O2/c21-17-12-16(19-20-18(17)22)11-8-13-6-9-15(10-7-13)14-4-2-1-3-5-14/h1-7,9-10,12H,8,11H2,(H,19,21)(H,20,22)
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n/an/a 1.20n/an/an/an/a7.525



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The DAAO inhibitory activity was measured by assaying the amount of hydrogen peroxide (H2O2) produced by reacting DAAO protein with flavin adenine di...


US Patent US9212147 (2015)


BindingDB Entry DOI: 10.7270/Q29G5KKS
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50260725
PNG
(4H-thieno[3,2-b]pyrrole-5-carboxylic acid | CHEMBL...)
Show SMILES OC(=O)c1cc2sccc2[nH]1
Show InChI InChI=1S/C7H5NO2S/c9-7(10)5-3-6-4(8-5)1-2-11-6/h1-3,8H,(H,9,10)
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n/an/a 1.40n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DAAO after 30 mins by plate reader analysis


J Med Chem 56: 3582-92 (2013)


Article DOI: 10.1021/jm400095b
BindingDB Entry DOI: 10.7270/Q2HT2QPZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 1.40n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DAAO after 30 mins by plate reader analysis


J Med Chem 56: 3582-92 (2013)


Article DOI: 10.1021/jm400095b
BindingDB Entry DOI: 10.7270/Q2HT2QPZ
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 1.40n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The DAAO inhibitory activity was measured by assaying the amount of hydrogen peroxide (H2O2) produced by reacting DAAO protein with flavin adenine di...


US Patent US10202399 (2019)


BindingDB Entry DOI: 10.7270/Q2542QQD
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 1.40n/an/an/an/a7.525



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The DAAO inhibitory activity was measured by assaying the amount of hydrogen peroxide (H2O2) produced by reacting DAAO protein with flavin adenine di...


US Patent US9212147 (2015)


BindingDB Entry DOI: 10.7270/Q29G5KKS
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 1.5n/an/an/an/a7.525



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The DAAO inhibitory activity was measured by assaying the amount of hydrogen peroxide (H2O2) produced by reacting DAAO protein with flavin adenine di...


US Patent US9212147 (2015)


BindingDB Entry DOI: 10.7270/Q29G5KKS
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 1.5n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The DAAO inhibitory activity was measured by assaying the amount of hydrogen peroxide (H2O2) produced by reacting DAAO protein with flavin adenine di...


US Patent US10202399 (2019)


BindingDB Entry DOI: 10.7270/Q2542QQD
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 1.5n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DAAO after 30 mins by plate reader analysis


J Med Chem 56: 3582-92 (2013)


Article DOI: 10.1021/jm400095b
BindingDB Entry DOI: 10.7270/Q2HT2QPZ
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Mus musculus)
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 1.90n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse full length DAAO overexpressed in HEK293 cells after 30 mins by plate reader analysis


J Med Chem 56: 3582-92 (2013)


Article DOI: 10.1021/jm400095b
BindingDB Entry DOI: 10.7270/Q2HT2QPZ
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Mus musculus)
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 1.90n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse full length DAAO overexpressed in HEK293 cells after 30 mins by plate reader analysis


J Med Chem 56: 3582-92 (2013)


Article DOI: 10.1021/jm400095b
BindingDB Entry DOI: 10.7270/Q2HT2QPZ
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 2n/an/an/an/a7.525



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The DAAO inhibitory activity was measured by assaying the amount of hydrogen peroxide (H2O2) produced by reacting DAAO protein with flavin adenine di...


US Patent US9212147 (2015)


BindingDB Entry DOI: 10.7270/Q29G5KKS
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 2n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DAAO after 30 mins by plate reader analysis


J Med Chem 56: 3582-92 (2013)


Article DOI: 10.1021/jm400095b
BindingDB Entry DOI: 10.7270/Q2HT2QPZ
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 2n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The DAAO inhibitory activity was measured by assaying the amount of hydrogen peroxide (H2O2) produced by reacting DAAO protein with flavin adenine di...


US Patent US10202399 (2019)


BindingDB Entry DOI: 10.7270/Q2542QQD
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50431065
PNG
(CHEMBL2338799 | US10202399, Example 16)
Show SMILES COc1cccc(CCc2cc(O)c(=O)[nH]n2)c1
Show InChI InChI=1S/C13H14N2O3/c1-18-11-4-2-3-9(7-11)5-6-10-8-12(16)13(17)15-14-10/h2-4,7-8H,5-6H2,1H3,(H,14,16)(H,15,17)
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n/an/a 2.10n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The DAAO inhibitory activity was measured by assaying the amount of hydrogen peroxide (H2O2) produced by reacting DAAO protein with flavin adenine di...


US Patent US10202399 (2019)


BindingDB Entry DOI: 10.7270/Q2542QQD
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50431065
PNG
(CHEMBL2338799 | US10202399, Example 16)
Show SMILES COc1cccc(CCc2cc(O)c(=O)[nH]n2)c1
Show InChI InChI=1S/C13H14N2O3/c1-18-11-4-2-3-9(7-11)5-6-10-8-12(16)13(17)15-14-10/h2-4,7-8H,5-6H2,1H3,(H,14,16)(H,15,17)
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n/an/a 2.10n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DAAO after 30 mins by plate reader analysis


J Med Chem 56: 3582-92 (2013)


Article DOI: 10.1021/jm400095b
BindingDB Entry DOI: 10.7270/Q2HT2QPZ
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM196659
PNG
(US9212147, 16)
Show SMILES OCc1cccc(CCc2cc(O)c(=O)[nH]n2)c1
Show InChI InChI=1S/C13H14N2O3/c16-8-10-3-1-2-9(6-10)4-5-11-7-12(17)13(18)15-14-11/h1-3,6-7,16H,4-5,8H2,(H,14,17)(H,15,18)
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n/an/a 2.10n/an/an/an/a7.525



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The DAAO inhibitory activity was measured by assaying the amount of hydrogen peroxide (H2O2) produced by reacting DAAO protein with flavin adenine di...


US Patent US9212147 (2015)


BindingDB Entry DOI: 10.7270/Q29G5KKS
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM196675
PNG
(US10202399, Example 237 | US9212147, 237)
Show SMILES Oc1n[nH]c(COc2ccccc2)cc1=O
Show InChI InChI=1S/C11H10N2O3/c14-10-6-8(12-13-11(10)15)7-16-9-4-2-1-3-5-9/h1-6H,7H2,(H,12,14)(H,13,15)
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n/an/a 2.20n/an/an/an/a7.525



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The DAAO inhibitory activity was measured by assaying the amount of hydrogen peroxide (H2O2) produced by reacting DAAO protein with flavin adenine di...


US Patent US9212147 (2015)


BindingDB Entry DOI: 10.7270/Q29G5KKS
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM196675
PNG
(US10202399, Example 237 | US9212147, 237)
Show SMILES Oc1n[nH]c(COc2ccccc2)cc1=O
Show InChI InChI=1S/C11H10N2O3/c14-10-6-8(12-13-11(10)15)7-16-9-4-2-1-3-5-9/h1-6H,7H2,(H,12,14)(H,13,15)
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n/an/a 2.20n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The DAAO inhibitory activity was measured by assaying the amount of hydrogen peroxide (H2O2) produced by reacting DAAO protein with flavin adenine di...


US Patent US10202399 (2019)


BindingDB Entry DOI: 10.7270/Q2542QQD
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 2.20n/an/an/an/a7.525



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The DAAO inhibitory activity was measured by assaying the amount of hydrogen peroxide (H2O2) produced by reacting DAAO protein with flavin adenine di...


US Patent US9212147 (2015)


BindingDB Entry DOI: 10.7270/Q29G5KKS
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50431070
PNG
(CHEMBL2338794)
Show SMILES Oc1cc(COc2ccccc2)n[nH]c1=O
Show InChI InChI=1S/C11H10N2O3/c14-10-6-8(12-13-11(10)15)7-16-9-4-2-1-3-5-9/h1-6H,7H2,(H,12,14)(H,13,15)
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n/an/a 2.20n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DAAO after 30 mins by plate reader analysis


J Med Chem 56: 3582-92 (2013)


Article DOI: 10.1021/jm400095b
BindingDB Entry DOI: 10.7270/Q2HT2QPZ
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Rattus norvegicus (rat))
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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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat full length DAAO overexpressed in HEK293 cells after 30 mins by plate reader analysis


J Med Chem 56: 3582-92 (2013)


Article DOI: 10.1021/jm400095b
BindingDB Entry DOI: 10.7270/Q2HT2QPZ
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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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The DAAO inhibitory activity was measured by assaying the amount of hydrogen peroxide (H2O2) produced by reacting DAAO protein with flavin adenine di...


US Patent US10202399 (2019)


BindingDB Entry DOI: 10.7270/Q2542QQD
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Rattus norvegicus (rat))
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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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat full length DAAO overexpressed in HEK293 cells after 30 mins by plate reader analysis


J Med Chem 56: 3582-92 (2013)


Article DOI: 10.1021/jm400095b
BindingDB Entry DOI: 10.7270/Q2HT2QPZ
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM196671
PNG
(US10202399, Example 56 | US9212147, 56)
Show SMILES Oc1cc(CCc2cccc3ccccc23)n[nH]c1=O
Show InChI InChI=1S/C16H14N2O2/c19-15-10-13(17-18-16(15)20)9-8-12-6-3-5-11-4-1-2-7-14(11)12/h1-7,10H,8-9H2,(H,17,19)(H,18,20)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The DAAO inhibitory activity was measured by assaying the amount of hydrogen peroxide (H2O2) produced by reacting DAAO protein with flavin adenine di...


US Patent US10202399 (2019)


BindingDB Entry DOI: 10.7270/Q2542QQD
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM196671
PNG
(US10202399, Example 56 | US9212147, 56)
Show SMILES Oc1cc(CCc2cccc3ccccc23)n[nH]c1=O
Show InChI InChI=1S/C16H14N2O2/c19-15-10-13(17-18-16(15)20)9-8-12-6-3-5-11-4-1-2-7-14(11)12/h1-7,10H,8-9H2,(H,17,19)(H,18,20)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The DAAO inhibitory activity was measured by assaying the amount of hydrogen peroxide (H2O2) produced by reacting DAAO protein with flavin adenine di...


US Patent US9212147 (2015)


BindingDB Entry DOI: 10.7270/Q29G5KKS
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM196674
PNG
(US10202399, Example 232 | US9212147, 232)
Show SMILES Oc1n[nH]c(COc2cccc(F)c2)cc1=O
Show InChI InChI=1S/C11H9FN2O3/c12-7-2-1-3-9(4-7)17-6-8-5-10(15)11(16)14-13-8/h1-5H,6H2,(H,13,15)(H,14,16)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The DAAO inhibitory activity was measured by assaying the amount of hydrogen peroxide (H2O2) produced by reacting DAAO protein with flavin adenine di...


US Patent US9212147 (2015)


BindingDB Entry DOI: 10.7270/Q29G5KKS
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Mus musculus)
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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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse full length DAAO overexpressed in HEK293 cells after 30 mins by plate reader analysis


J Med Chem 56: 3582-92 (2013)


Article DOI: 10.1021/jm400095b
BindingDB Entry DOI: 10.7270/Q2HT2QPZ
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM196674
PNG
(US10202399, Example 232 | US9212147, 232)
Show SMILES Oc1n[nH]c(COc2cccc(F)c2)cc1=O
Show InChI InChI=1S/C11H9FN2O3/c12-7-2-1-3-9(4-7)17-6-8-5-10(15)11(16)14-13-8/h1-5H,6H2,(H,13,15)(H,14,16)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The DAAO inhibitory activity was measured by assaying the amount of hydrogen peroxide (H2O2) produced by reacting DAAO protein with flavin adenine di...


US Patent US10202399 (2019)


BindingDB Entry DOI: 10.7270/Q2542QQD
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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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full length DAAO overexpressed in HEK293 cells after 30 mins by plate reader analysis


J Med Chem 56: 3582-92 (2013)


Article DOI: 10.1021/jm400095b
BindingDB Entry DOI: 10.7270/Q2HT2QPZ
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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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The DAAO inhibitory activity was measured by assaying the amount of hydrogen peroxide (H2O2) produced by reacting DAAO protein with flavin adenine di...


US Patent US10202399 (2019)


BindingDB Entry DOI: 10.7270/Q2542QQD
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Rattus norvegicus (rat))
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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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat full length DAAO overexpressed in HEK293 cells after 30 mins by plate reader analysis


J Med Chem 56: 3582-92 (2013)


Article DOI: 10.1021/jm400095b
BindingDB Entry DOI: 10.7270/Q2HT2QPZ
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM196654
PNG
(US9212147, 1)
Show SMILES Oc1n[nH]c(\C=C\c2ccccc2)cc1=O
Show InChI InChI=1S/C12H10N2O2/c15-11-8-10(13-14-12(11)16)7-6-9-4-2-1-3-5-9/h1-8H,(H,13,15)(H,14,16)/b7-6+
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This test was performed by partially modifying the method of Philip et. al. (J. Biomol. Screen. Vol. 11, pp 481-487, 2006). HEK293 cells that stably ...


US Patent US9212147 (2015)


BindingDB Entry DOI: 10.7270/Q29G5KKS
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM627551
PNG
(US11793823, Compound 123)
Show SMILES Oc1cc(cc(O)c1O)C(=O)Oc1cc(cc(O)c1O)C(=O)Oc1cc(cc(O)c1O)C(=O)Oc1cc(cc(O)c1O)C(=O)Oc1cc(cc(O)c1O)C(=O)O[C@@H]1CO[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(OC(=O)c4cc(O)c(O)c(OC(=O)c5cc(O)c(O)c(OC(=O)c6cc(O)c(O)c(O)c6)c5)c4)c3)c2)[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(OC(=O)c4cc(O)c(O)c(OC(=O)c5cc(O)c(O)c(OC(=O)c6cc(O)c(O)c(O)c6)c5)c4)c3)c2)[C@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(OC(=O)c4cc(O)c(O)c(OC(=O)c5cc(O)c(O)c(O)c5)c4)c3)c2)c1 |r|
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TBA



Citation and Details
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 2.40n/an/an/an/a7.525



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The DAAO inhibitory activity was measured by assaying the amount of hydrogen peroxide (H2O2) produced by reacting DAAO protein with flavin adenine di...


US Patent US9212147 (2015)


BindingDB Entry DOI: 10.7270/Q29G5KKS
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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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DAAO after 30 mins by plate reader analysis


J Med Chem 56: 3582-92 (2013)


Article DOI: 10.1021/jm400095b
BindingDB Entry DOI: 10.7270/Q2HT2QPZ
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM196670
PNG
(US10202399, Example 52 | US9212147, 52)
Show SMILES Oc1cc(CCCCc2ccccc2)n[nH]c1=O
Show InChI InChI=1S/C14H16N2O2/c17-13-10-12(15-16-14(13)18)9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H,15,17)(H,16,18)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The DAAO inhibitory activity was measured by assaying the amount of hydrogen peroxide (H2O2) produced by reacting DAAO protein with flavin adenine di...


US Patent US9212147 (2015)


BindingDB Entry DOI: 10.7270/Q29G5KKS
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM196670
PNG
(US10202399, Example 52 | US9212147, 52)
Show SMILES Oc1cc(CCCCc2ccccc2)n[nH]c1=O
Show InChI InChI=1S/C14H16N2O2/c17-13-10-12(15-16-14(13)18)9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H,15,17)(H,16,18)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The DAAO inhibitory activity was measured by assaying the amount of hydrogen peroxide (H2O2) produced by reacting DAAO protein with flavin adenine di...


US Patent US10202399 (2019)


BindingDB Entry DOI: 10.7270/Q2542QQD
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Mus musculus)
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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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse full length DAAO overexpressed in HEK293 cells after 30 mins by plate reader analysis


J Med Chem 56: 3582-92 (2013)


Article DOI: 10.1021/jm400095b
BindingDB Entry DOI: 10.7270/Q2HT2QPZ
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM196660
PNG
(US10202399, Example 20 | US9212147, 20)
Show SMILES Cc1cccc(CCc2cc(O)c(=O)[nH]n2)c1
Show InChI InChI=1S/C13H14N2O2/c1-9-3-2-4-10(7-9)5-6-11-8-12(16)13(17)15-14-11/h2-4,7-8H,5-6H2,1H3,(H,14,16)(H,15,17)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The DAAO inhibitory activity was measured by assaying the amount of hydrogen peroxide (H2O2) produced by reacting DAAO protein with flavin adenine di...


US Patent US10202399 (2019)


BindingDB Entry DOI: 10.7270/Q2542QQD
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM627549
PNG
(US11793823, Compound 121)
Show SMILES Oc1cc(cc(O)c1O)C(=O)Oc1cc(cc(O)c1O)C(=O)Oc1cc(cc(O)c1O)C(=O)Oc1cc(cc(O)c1O)C(=O)O[C@@H]1CO[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(OC(=O)c4cc(O)c(O)c(OC(=O)c5cc(O)c(O)c(O)c5)c4)c3)c2)[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(OC(=O)c4cc(O)c(O)c(OC(=O)c5cc(O)c(O)c(O)c5)c4)c3)c2)[C@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(OC(=O)c4cc(O)c(O)c(O)c4)c3)c2)c1 |r|
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TBA



Citation and Details
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM196660
PNG
(US10202399, Example 20 | US9212147, 20)
Show SMILES Cc1cccc(CCc2cc(O)c(=O)[nH]n2)c1
Show InChI InChI=1S/C13H14N2O2/c1-9-3-2-4-10(7-9)5-6-11-8-12(16)13(17)15-14-11/h2-4,7-8H,5-6H2,1H3,(H,14,16)(H,15,17)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The DAAO inhibitory activity was measured by assaying the amount of hydrogen peroxide (H2O2) produced by reacting DAAO protein with flavin adenine di...


US Patent US9212147 (2015)


BindingDB Entry DOI: 10.7270/Q29G5KKS
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Rattus norvegicus (rat))
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 2.60n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat full length DAAO overexpressed in HEK293 cells after 30 mins by plate reader analysis


J Med Chem 56: 3582-92 (2013)


Article DOI: 10.1021/jm400095b
BindingDB Entry DOI: 10.7270/Q2HT2QPZ
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 2.70n/an/an/an/a7.525



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The DAAO inhibitory activity was measured by assaying the amount of hydrogen peroxide (H2O2) produced by reacting DAAO protein with flavin adenine di...


US Patent US9212147 (2015)


BindingDB Entry DOI: 10.7270/Q29G5KKS
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 2.70n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DAAO after 30 mins by plate reader analysis


J Med Chem 56: 3582-92 (2013)


Article DOI: 10.1021/jm400095b
BindingDB Entry DOI: 10.7270/Q2HT2QPZ
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM347109
PNG
(US10202399, Example 254)
Show SMILES Oc1cc(COc2ccc(Cl)cc2)n[nH]c1=O
Show InChI InChI=1S/C11H9ClN2O3/c12-7-1-3-9(4-2-7)17-6-8-5-10(15)11(16)14-13-8/h1-5H,6H2,(H,13,15)(H,14,16)
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n/an/a 2.70n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The DAAO inhibitory activity was measured by assaying the amount of hydrogen peroxide (H2O2) produced by reacting DAAO protein with flavin adenine di...


US Patent US10202399 (2019)


BindingDB Entry DOI: 10.7270/Q2542QQD
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Mus musculus)
BDBM50431077
PNG
(CHEMBL2338787 | US10202399, Example 48 | US1046366...)
Show SMILES CC(c1ccccc1)c1cc(O)c(=O)[nH]n1
Show InChI InChI=1S/C12H12N2O2/c1-8(9-5-3-2-4-6-9)10-7-11(15)12(16)14-13-10/h2-8H,1H3,(H,13,15)(H,14,16)
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n/an/a 2.80n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse full length DAAO overexpressed in HEK293 cells after 30 mins by plate reader analysis


J Med Chem 56: 3582-92 (2013)


Article DOI: 10.1021/jm400095b
BindingDB Entry DOI: 10.7270/Q2HT2QPZ
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM196657
PNG
(US9212147, 14)
Show SMILES OCc1ccc(CCc2cc(O)c(=O)[nH]n2)cc1
Show InChI InChI=1S/C13H14N2O3/c16-8-10-3-1-9(2-4-10)5-6-11-7-12(17)13(18)15-14-11/h1-4,7,16H,5-6,8H2,(H,14,17)(H,15,18)
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n/an/a 2.90n/an/an/an/a7.525



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The DAAO inhibitory activity was measured by assaying the amount of hydrogen peroxide (H2O2) produced by reacting DAAO protein with flavin adenine di...


US Patent US9212147 (2015)


BindingDB Entry DOI: 10.7270/Q29G5KKS
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM196673
PNG
(US10202399, Example 231 | US9212147, 231)
Show SMILES Oc1n[nH]c(COc2ccc(F)cc2)cc1=O
Show InChI InChI=1S/C11H9FN2O3/c12-7-1-3-9(4-2-7)17-6-8-5-10(15)11(16)14-13-8/h1-5H,6H2,(H,13,15)(H,14,16)
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n/an/a 2.90n/an/an/an/a7.525



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The DAAO inhibitory activity was measured by assaying the amount of hydrogen peroxide (H2O2) produced by reacting DAAO protein with flavin adenine di...


US Patent US9212147 (2015)


BindingDB Entry DOI: 10.7270/Q29G5KKS
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50431084
PNG
(CHEMBL2338802 | US10202399, Example 14)
Show SMILES COc1ccc(CCc2cc(O)c(=O)[nH]n2)cc1
Show InChI InChI=1S/C13H14N2O3/c1-18-11-6-3-9(4-7-11)2-5-10-8-12(16)13(17)15-14-10/h3-4,6-8H,2,5H2,1H3,(H,14,16)(H,15,17)
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n/an/a 2.90n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DAAO after 30 mins by plate reader analysis


J Med Chem 56: 3582-92 (2013)


Article DOI: 10.1021/jm400095b
BindingDB Entry DOI: 10.7270/Q2HT2QPZ
More data for this
Ligand-Target Pair
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