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Compile Data Set for Download or QSAR

Found 783 hits Enz. Inhib. hit(s) with Target = 'D-amino-acid oxidase'   
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))
BDBM50433372
PNG
(CHEMBL2375520)
Show SMILES Clc1cc2o[nH]c(=O)c2cc1Cl
Show InChI InChI=1S/C7H3Cl2NO2/c8-4-1-3-6(2-5(4)9)12-10-7(3)11/h1-2H,(H,10,11)
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1.70n/an/an/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant DAAO by Michaelis-Menten plot analysis in presence of D-serine


J Med Chem 56: 3710-24 (2013)


Article DOI: 10.1021/jm4002583
BindingDB Entry DOI: 10.7270/Q2X92CPC
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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3.5n/an/an/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant DAAO by Michaelis-Menten plot analysis in presence of D-serine


J Med Chem 56: 3710-24 (2013)


Article DOI: 10.1021/jm4002583
BindingDB Entry DOI: 10.7270/Q2X92CPC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50260722
PNG
(4-(4-chlorophenethyl)-1H-pyrrole-2-carboxylic acid...)
Show SMILES OC(=O)c1cc(CCc2ccc(Cl)cc2)c[nH]1
Show InChI InChI=1S/C13H12ClNO2/c14-11-5-3-9(4-6-11)1-2-10-7-12(13(16)17)15-8-10/h3-8,15H,1-2H2,(H,16,17)
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7.20n/an/an/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant DAAO by Michaelis-Menten plot analysis in presence of D-serine


J Med Chem 56: 3710-24 (2013)


Article DOI: 10.1021/jm4002583
BindingDB Entry DOI: 10.7270/Q2X92CPC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50206007
PNG
(3-Hydroxy-chromen-2-one | 3-hydroxy-2H-chromen-2-o...)
Show SMILES Oc1cc2ccccc2oc1=O
Show InChI InChI=1S/C9H6O3/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-5,10H
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13n/an/an/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant DAAO by Michaelis-Menten plot analysis in presence of D-serine


J Med Chem 56: 3710-24 (2013)


Article DOI: 10.1021/jm4002583
BindingDB Entry DOI: 10.7270/Q2X92CPC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM31147
PNG
(4H-furo[3,2-b]pyrrole-5-carboxylic acid | 5-carbox...)
Show SMILES OC(=O)c1cc2occc2[nH]1
Show InChI InChI=1S/C7H5NO3/c9-7(10)5-3-6-4(8-5)1-2-11-6/h1-3,8H,(H,9,10)
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36n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His-tagged DAO expressed in Escherichia coli BL21(DE3) using D-serine as substrate by Lineweaver-Burk plot...


J Med Chem 56: 1894-907 (2013)


Article DOI: 10.1021/jm3017865
BindingDB Entry DOI: 10.7270/Q2H70H4P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50117763
PNG
(CHEMBL3613921 | US9505753, 5u)
Show SMILES Oc1nn(Cc2cccc3ccccc23)c(=O)[nH]c1=O
Show InChI InChI=1S/C14H11N3O3/c18-12-13(19)16-17(14(20)15-12)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,16,19)(H,15,18,20)
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60n/an/an/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant human DAAO expressed in HEK cells by double reciprocal plot analysis in presence of D-serine


J Med Chem 58: 7258-72 (2015)


BindingDB Entry DOI: 10.7270/Q2SF2XZQ
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50206007
PNG
(3-Hydroxy-chromen-2-one | 3-hydroxy-2H-chromen-2-o...)
Show SMILES Oc1cc2ccccc2oc1=O
Show InChI InChI=1S/C9H6O3/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-5,10H
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156n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His-tagged DAO expressed in Escherichia coli BL21(DE3) using D-serine as substrate by Lineweaver-Burk plot...


J Med Chem 56: 1894-907 (2013)


Article DOI: 10.1021/jm3017865
BindingDB Entry DOI: 10.7270/Q2H70H4P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50433371
PNG
(CHEMBL2375519)
Show SMILES OC(=O)c1cc2occ(CCc3ccccc3)c2[nH]1
Show InChI InChI=1S/C15H13NO3/c17-15(18)12-8-13-14(16-12)11(9-19-13)7-6-10-4-2-1-3-5-10/h1-5,8-9,16H,6-7H2,(H,17,18)
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190n/an/an/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant DAAO by Michaelis-Menten plot analysis in presence of D-serine


J Med Chem 56: 3710-24 (2013)


Article DOI: 10.1021/jm4002583
BindingDB Entry DOI: 10.7270/Q2X92CPC
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM36181
PNG
(SODIUM BENZOATE | benzoate | benzoic acid | benzoi...)
Show SMILES [O-]C(=O)c1ccccc1
Show InChI InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/p-1
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2.00E+3n/an/an/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant DAAO by Michaelis-Menten plot analysis in presence of D-serine


J Med Chem 56: 3710-24 (2013)


Article DOI: 10.1021/jm4002583
BindingDB Entry DOI: 10.7270/Q2X92CPC
More data for this
Ligand-Target Pair
D-Amino Acid Oxidase (DAAO)


(Sus scrofa (pig))
BDBM50004955
PNG
(1H-Indole-2-carboxylic acid | CHEMBL278390 | Indol...)
Show SMILES OC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C9H7NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-5,10H,(H,11,12)
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3.40E+3n/an/an/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of pig kidney DAAO in presence of D-alanine


J Med Chem 56: 3710-24 (2013)


Article DOI: 10.1021/jm4002583
BindingDB Entry DOI: 10.7270/Q2X92CPC
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM36181
PNG
(SODIUM BENZOATE | benzoate | benzoic acid | benzoi...)
Show SMILES [O-]C(=O)c1ccccc1
Show InChI InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/p-1
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7.00E+3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DAO expressed in Escherichia coli BL21(DE3) by oxygraphic assay


J Med Chem 56: 1894-907 (2013)


Article DOI: 10.1021/jm3017865
BindingDB Entry DOI: 10.7270/Q2H70H4P
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50074328
PNG
(CHEMBL164585 | Thiophene-3-carboxylic acid)
Show SMILES OC(=O)c1ccsc1
Show InChI InChI=1S/C5H4O2S/c6-5(7)4-1-2-8-3-4/h1-3H,(H,6,7)
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8.16E+3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His-tagged DAO expressed in Escherichia coli BL21(DE3) using D-serine as substrate by Lineweaver-Burk plot...


J Med Chem 56: 1894-907 (2013)


Article DOI: 10.1021/jm3017865
BindingDB Entry DOI: 10.7270/Q2H70H4P
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50427206
PNG
(CHEMBL2324852)
Show SMILES OC(=O)c1cc2CCCc2s1
Show InChI InChI=1S/C8H8O2S/c9-8(10)7-4-5-2-1-3-6(5)11-7/h4H,1-3H2,(H,9,10)
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9.92E+3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His-tagged DAO expressed in Escherichia coli BL21(DE3) using D-serine as substrate by Lineweaver-Burk plot...


J Med Chem 56: 1894-907 (2013)


Article DOI: 10.1021/jm3017865
BindingDB Entry DOI: 10.7270/Q2H70H4P
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM36181
PNG
(SODIUM BENZOATE | benzoate | benzoic acid | benzoi...)
Show SMILES [O-]C(=O)c1ccccc1
Show InChI InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/p-1
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1.09E+4n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His-tagged DAO expressed in Escherichia coli BL21(DE3) using D-serine as substrate by Lineweaver-Burk plot...


J Med Chem 56: 1894-907 (2013)


Article DOI: 10.1021/jm3017865
BindingDB Entry DOI: 10.7270/Q2H70H4P
More data for this
Ligand-Target Pair
D-Amino Acid Oxidase (DAAO)


(Sus scrofa (pig))
BDBM50031467
PNG
(5-HYDROXY-2-(HYDROXYMETHYL)-4H-PYRAN-4-ONE | 5-Hyd...)
Show SMILES OCc1cc(=O)c(O)co1
Show InChI InChI=1S/C6H6O4/c7-2-4-1-5(8)6(9)3-10-4/h1,3,7,9H,2H2
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2.10E+4n/an/an/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Competitive inhibition of pig kidney DAAO using D-Alanine as substrate by Michaelis-Menten plot analysis


Bioorg Med Chem Lett 23: 3910-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.062
BindingDB Entry DOI: 10.7270/Q2K35W2G
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/an/an/a



Takeda Pharmaceutical Company Limited

US Patent




US Patent US10202399 (2019)

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))
BDBM50431067
PNG
(CHEMBL2338797 | US10202399, Example 18 | US9212147...)
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 | US9212147...)
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




US Patent US10202399 (2019)

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


(Homo sapiens (Human))
BDBM50431067
PNG
(CHEMBL2338797 | US10202399, Example 18 | US9212147...)
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))
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))
BDBM50431083
PNG
(CHEMBL2338803 | US10202399, Example 24 | US9212147...)
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


(Homo sapiens (Human))
BDBM50431083
PNG
(CHEMBL2338803 | US10202399, Example 24 | US9212147...)
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




US Patent US10202399 (2019)

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


(Homo sapiens (Human))
BDBM50431083
PNG
(CHEMBL2338803 | US10202399, Example 24 | US9212147...)
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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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)
BDBM50431067
PNG
(CHEMBL2338797 | US10202399, Example 18 | US9212147...)
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 | US9212147, 254 | US9290456, 27)
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 | US9212147...)
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




US Patent US10202399 (2019)

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


(Homo sapiens (Human))
BDBM50431069
PNG
(CHEMBL2338795 | US10202399, Example 27 | US9212147...)
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 | US9212147...)
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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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))
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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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))
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




US Patent US10202399 (2019)

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


(Homo sapiens (Human))
BDBM196661
PNG
(US10202399, Example 21 | US9212147, 21 | US9290456...)
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/an/an/a



Takeda Pharmaceutical Company Limited

US Patent




US Patent US10202399 (2019)

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


(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




US Patent US10202399 (2019)

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))
BDBM196661
PNG
(US10202399, Example 21 | US9212147, 21 | US9290456...)
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))
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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n/an/a 2.30n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent




US Patent US10202399 (2019)

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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n/an/a 2.30n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent




US Patent US10202399 (2019)

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


(Mus musculus)
BDBM50431066
PNG
(CHEMBL2338798 | US10202399, Example 17 | US9212147...)
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 US9212147 (2015)


BindingDB Entry DOI: 10.7270/Q29G5KKS
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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n/an/a 2.30n/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))
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))
BDBM50431078
PNG
(CHEMBL2338786 | US9290456, 1)
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 | US9212147...)
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))
BDBM50431066
PNG
(CHEMBL2338798 | US10202399, Example 17 | US9212147...)
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 | US9212147...)
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/an/an/a



Takeda Pharmaceutical Company Limited

US Patent




US Patent US10202399 (2019)

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


(Mus musculus)
BDBM50431086
PNG
(CHEMBL2338800 | US10202399, Example 212 | US921214...)
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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Article
PubMed
n/an/a 2.5n/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))
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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n/an/a 2.5n/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))
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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n/an/a 2.5n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent




US Patent US10202399 (2019)

More data for this
Ligand-Target Pair
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