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Compile Data Set for Download or QSAR

Found 20 hits of Enz. Inhib. data with enzyme = 'D-amino-acid oxidase' and Substrate = 'to-be-curated'   
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))
BDBM287759
PNG
(US10085986, Example 1)
Show SMILES Oc1cnc(SCc2cccc(Cl)c2)[nH]c1=O
Show InChI InChI=1S/C11H9ClN2O2S/c12-8-3-1-2-7(4-8)6-17-11-13-5-9(15)10(16)14-11/h1-5,15H,6H2,(H,13,14,16)
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n/an/a 120n/an/an/an/a7.4n/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 US10085986 (2018)

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


(Homo sapiens (human))
BDBM287762
PNG
(US10085986, Example 5)
Show SMILES Oc1cnc(SCc2ccc3ccccc3c2)[nH]c1=O
Show InChI InChI=1S/C15H12N2O2S/c18-13-8-16-15(17-14(13)19)20-9-10-5-6-11-3-1-2-4-12(11)7-10/h1-8,18H,9H2,(H,16,17,19)
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n/an/a 120n/an/an/an/a7.4n/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 US10085986 (2018)

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


(Homo sapiens (human))
BDBM287765
PNG
(US10085986, Example 10)
Show SMILES Oc1cnc(SCc2cccc(c2)C(F)(F)F)[nH]c1=O
Show InChI InChI=1S/C12H9F3N2O2S/c13-12(14,15)8-3-1-2-7(4-8)6-20-11-16-5-9(18)10(19)17-11/h1-5,18H,6H2,(H,16,17,19)
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n/an/a 150n/an/an/an/a7.4n/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 US10085986 (2018)

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


(Homo sapiens (human))
BDBM287766
PNG
(US10085986, Example 11)
Show SMILES Oc1cnc(SCc2cc(F)cc(Cl)c2)[nH]c1=O
Show InChI InChI=1S/C11H8ClFN2O2S/c12-7-1-6(2-8(13)3-7)5-18-11-14-4-9(16)10(17)15-11/h1-4,16H,5H2,(H,14,15,17)
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n/an/a 150n/an/an/an/a7.4n/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 US10085986 (2018)

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


(Homo sapiens (human))
BDBM287764
PNG
(US10085986, Example 9)
Show SMILES COc1cccc(CSc2ncc(O)c(=O)[nH]2)c1
Show InChI InChI=1S/C12H12N2O3S/c1-17-9-4-2-3-8(5-9)7-18-12-13-6-10(15)11(16)14-12/h2-6,15H,7H2,1H3,(H,13,14,16)
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n/an/a 160n/an/an/an/a7.4n/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 US10085986 (2018)

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


(Homo sapiens (human))
BDBM287763
PNG
(US10085986, Example 6)
Show SMILES Oc1cnc(SCc2cccc(F)c2)[nH]c1=O
Show InChI InChI=1S/C11H9FN2O2S/c12-8-3-1-2-7(4-8)6-17-11-13-5-9(15)10(16)14-11/h1-5,15H,6H2,(H,13,14,16)
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n/an/a 170n/an/an/an/a7.4n/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 US10085986 (2018)

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


(Homo sapiens (human))
BDBM287770
PNG
(US10085986, Example 18)
Show SMILES Oc1cnc(SCc2cccc(OC(F)F)c2)[nH]c1=O
Show InChI InChI=1S/C12H10F2N2O3S/c13-11(14)19-8-3-1-2-7(4-8)6-20-12-15-5-9(17)10(18)16-12/h1-5,11,17H,6H2,(H,15,16,18)
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n/an/a 190n/an/an/an/a7.4n/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 US10085986 (2018)

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


(Homo sapiens (human))
BDBM287761
PNG
(US10085986, Example 4)
Show SMILES Oc1cnc(SCc2ccc(Cl)cc2)[nH]c1=O
Show InChI InChI=1S/C11H9ClN2O2S/c12-8-3-1-7(2-4-8)6-17-11-13-5-9(15)10(16)14-11/h1-5,15H,6H2,(H,13,14,16)
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n/an/a 220n/an/an/an/a7.4n/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 US10085986 (2018)

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


(Homo sapiens (human))
BDBM287760
PNG
(US10085986, Example 2)
Show SMILES Oc1cnc(SCc2ccccc2)[nH]c1=O
Show InChI InChI=1S/C11H10N2O2S/c14-9-6-12-11(13-10(9)15)16-7-8-4-2-1-3-5-8/h1-6,14H,7H2,(H,12,13,15)
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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 US10085986 (2018)

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


(Homo sapiens (human))
BDBM287771
PNG
(US10085986, Example 20)
Show SMILES Oc1cnc(SCc2cccnc2)[nH]c1=O
Show InChI InChI=1S/C10H9N3O2S/c14-8-5-12-10(13-9(8)15)16-6-7-2-1-3-11-4-7/h1-5,14H,6H2,(H,12,13,15)
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n/an/a 470n/an/an/an/a7.4n/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 US10085986 (2018)

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


(Homo sapiens (human))
BDBM287767
PNG
(US10085986, Example 12)
Show SMILES Cc1nc(no1)-c1cccc(CSc2ncc(O)c(=O)[nH]2)c1
Show InChI InChI=1S/C14H12N4O3S/c1-8-16-12(18-21-8)10-4-2-3-9(5-10)7-22-14-15-6-11(19)13(20)17-14/h2-6,19H,7H2,1H3,(H,15,17,20)
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n/an/a 500n/an/an/an/a7.4n/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 US10085986 (2018)

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


(Homo sapiens (human))
BDBM287769
PNG
(US10085986, Example 16)
Show SMILES Oc1cnc(SCc2cccc3OCCOc23)[nH]c1=O
Show InChI InChI=1S/C13H12N2O4S/c16-9-6-14-13(15-12(9)17)20-7-8-2-1-3-10-11(8)19-5-4-18-10/h1-3,6,16H,4-5,7H2,(H,14,15,17)
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n/an/a 540n/an/an/an/a7.4n/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 US10085986 (2018)

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


(Homo sapiens (human))
BDBM287773
PNG
(US10085986, Example 26)
Show SMILES Oc1cnc(SCc2ccc3nccn3c2)[nH]c1=O
Show InChI InChI=1S/C12H10N4O2S/c17-9-5-14-12(15-11(9)18)19-7-8-1-2-10-13-3-4-16(10)6-8/h1-6,17H,7H2,(H,14,15,18)
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n/an/a 740n/an/an/an/a7.4n/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 US10085986 (2018)

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


(Homo sapiens (human))
BDBM287768
PNG
(US10085986, Example 14)
Show SMILES CC(Sc1ncc(O)c(=O)[nH]1)c1ccccc1
Show InChI InChI=1S/C12H12N2O2S/c1-8(9-5-3-2-4-6-9)17-12-13-7-10(15)11(16)14-12/h2-8,15H,1H3,(H,13,14,16)
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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 US10085986 (2018)

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


(Homo sapiens (human))
BDBM287776
PNG
(US10085986, Example 33)
Show SMILES Oc1cnc(CCc2ccccc2)[nH]c1=O
Show InChI InChI=1S/C12H12N2O2/c15-10-8-13-11(14-12(10)16)7-6-9-4-2-1-3-5-9/h1-5,8,15H,6-7H2,(H,13,14,16)
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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 US10085986 (2018)

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


(Homo sapiens (human))
BDBM287772
PNG
(US10085986, Example 21)
Show SMILES Cc1cc(CSc2ncc(O)c(=O)[nH]2)n(C)n1
Show InChI InChI=1S/C10H12N4O2S/c1-6-3-7(14(2)13-6)5-17-10-11-4-8(15)9(16)12-10/h3-4,15H,5H2,1-2H3,(H,11,12,16)
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n/an/a 1.60E+3n/an/an/an/a7.4n/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 US10085986 (2018)

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


(Homo sapiens (human))
BDBM287778
PNG
(US10085986, Example 35)
Show SMILES COc1ccc(CSc2ncc(O)c(=O)n2C)cc1
Show InChI InChI=1S/C13H14N2O3S/c1-15-12(17)11(16)7-14-13(15)19-8-9-3-5-10(18-2)6-4-9/h3-7,16H,8H2,1-2H3
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n/an/a 1.80E+3n/an/an/an/a7.4n/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 US10085986 (2018)

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


(Homo sapiens (human))
BDBM287777
PNG
(US10085986, Example 34)
Show SMILES Oc1c(nc(SCc2ccccc2)[nH]c1=O)C(F)(F)F
Show InChI InChI=1S/C12H9F3N2O2S/c13-12(14,15)9-8(18)10(19)17-11(16-9)20-6-7-4-2-1-3-5-7/h1-5,18H,6H2,(H,16,17,19)
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n/an/a 2.70E+3n/an/an/an/a7.4n/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 US10085986 (2018)

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


(Homo sapiens (human))
BDBM287774
PNG
(US10085986, Example 30)
Show SMILES Oc1cnc(CSc2ccccc2)[nH]c1=O
Show InChI InChI=1S/C11H10N2O2S/c14-9-6-12-10(13-11(9)15)7-16-8-4-2-1-3-5-8/h1-6,14H,7H2,(H,12,13,15)
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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 US10085986 (2018)

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


(Homo sapiens (human))
BDBM287775
PNG
(US10085986, Example 31)
Show SMILES Oc1cnc(COc2ccccc2)[nH]c1=O
Show InChI InChI=1S/C11H10N2O3/c14-9-6-12-10(13-11(9)15)7-16-8-4-2-1-3-5-8/h1-6,14H,7H2,(H,12,13,15)
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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 US10085986 (2018)

More data for this
Ligand-Target Pair