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Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with all data for entry = 1735   
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 (DAAO)


(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)

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


(Homo sapiens (Human))
BDBM337636
PNG
(4-Hydroxy-6-isopropylpyridazin-3(2H)-one | US97507...)
Show SMILES CC(C)c1cc(O)c(=O)[nH]n1
Show InChI InChI=1S/C7H10N2O2/c1-4(2)5-3-6(10)7(11)9-8-5/h3-4H,1-2H3,(H,8,10)(H,9,11)
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n/an/a 36n/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)

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


(Homo sapiens (Human))
BDBM337631
PNG
(6-Cyclopropyl-4-hydroxypyridazin-3(2H)-one | US975...)
Show SMILES Oc1cc(n[nH]c1=O)C1CC1
Show InChI InChI=1S/C7H8N2O2/c10-6-3-5(4-1-2-4)8-9-7(6)11/h3-4H,1-2H2,(H,8,10)(H,9,11)
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n/an/a 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 ...


US Patent US9750748 (2017)

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


(Homo sapiens (Human))
BDBM337644
PNG
(6-tert-Butyl-4-hydroxypyridazin-3(2H)-one | US9750...)
Show SMILES CC(C)(C)c1cc(O)c(=O)[nH]n1
Show InChI InChI=1S/C8H12N2O2/c1-8(2,3)6-4-5(11)7(12)10-9-6/h4H,1-3H3,(H,9,11)(H,10,12)
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n/an/a 44n/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)

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


(Homo sapiens (Human))
BDBM337638
PNG
(6-(Dimethylamino)-4-hydroxypyridazin-3(2H)-one | U...)
Show SMILES CN(C)c1cc(O)c(=O)[nH]n1
Show InChI InChI=1S/C6H9N3O2/c1-9(2)5-3-4(10)6(11)8-7-5/h3H,1-2H3,(H,7,10)(H,8,11)
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n/an/a 46n/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)

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


(Homo sapiens (Human))
BDBM337630
PNG
(4-Hydroxy-6-(3-methylbutyl)pyridazin-3(2H)-one | U...)
Show SMILES CC(C)CCc1cc(O)c(=O)[nH]n1
Show InChI InChI=1S/C9H14N2O2/c1-6(2)3-4-7-5-8(12)9(13)11-10-7/h5-6H,3-4H2,1-2H3,(H,10,12)(H,11,13)
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n/an/a 61n/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)

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


(Homo sapiens (Human))
BDBM337633
PNG
(4-Hydroxy-6-(2-methylpropyl)pyridazin-3(2H)-one | ...)
Show SMILES CC(C)Cc1cc(O)c(=O)[nH]n1
Show InChI InChI=1S/C8H12N2O2/c1-5(2)3-6-4-7(11)8(12)10-9-6/h4-5H,3H2,1-2H3,(H,9,11)(H,10,12)
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n/an/a 140n/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)

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


(Homo sapiens (Human))
BDBM337642
PNG
(6-(Ethyl(methyl)amino)-4-hydroxypyridazin-3(2H)-on...)
Show SMILES CCN(C)c1cc(O)c(=O)[nH]n1
Show InChI InChI=1S/C7H11N3O2/c1-3-10(2)6-4-5(11)7(12)9-8-6/h4H,3H2,1-2H3,(H,8,11)(H,9,12)
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n/an/a 150n/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)

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


(Homo sapiens (Human))
BDBM337641
PNG
(4-Hydroxy-6-(methyl(propyl)amino)pyridazin-3(2H)-o...)
Show SMILES CCCN(C)c1cc(O)c(=O)[nH]n1
Show InChI InChI=1S/C8H13N3O2/c1-3-4-11(2)7-5-6(12)8(13)10-9-7/h5H,3-4H2,1-2H3,(H,9,12)(H,10,13)
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n/an/a 180n/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)

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


(Homo sapiens (Human))
BDBM337634
PNG
(6-Cyclopentyl-4-hydroxypyridazin-3(2H)-one | US975...)
Show SMILES Oc1cc(n[nH]c1=O)C1CCCC1
Show InChI InChI=1S/C9H12N2O2/c12-8-5-7(10-11-9(8)13)6-3-1-2-4-6/h5-6H,1-4H2,(H,10,12)(H,11,13)
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n/an/a 670n/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)

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


(Homo sapiens (Human))
BDBM337635
PNG
(6-Cyclohexyl-4-hydroxypyridazin-3(2H)-one | BDBM50...)
Show SMILES Oc1cc(n[nH]c1=O)C1CCCCC1
Show InChI InChI=1S/C10H14N2O2/c13-9-6-8(11-12-10(9)14)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,11,13)(H,12,14)
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n/an/a 1.10E+3n/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)

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


(Homo sapiens (Human))
BDBM337637
PNG
(6-(Azetidin-1-yl)-4-hydroxypyridazin-3(2H)-one | U...)
Show SMILES Oc1cc(n[nH]c1=O)N1CCC1
Show InChI InChI=1S/C7H9N3O2/c11-5-4-6(8-9-7(5)12)10-2-1-3-10/h4H,1-3H2,(H,8,11)(H,9,12)
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n/an/a 2.50E+3n/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)

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


(Homo sapiens (Human))
BDBM337643
PNG
(4-Hydroxy-6-(piperidin-1-yl)pyridazin-3(2H)-one | ...)
Show SMILES Oc1cc(n[nH]c1=O)N1CCCCC1
Show InChI InChI=1S/C9H13N3O2/c13-7-6-8(10-11-9(7)14)12-4-2-1-3-5-12/h6H,1-5H2,(H,10,13)(H,11,14)
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n/an/a 3.60E+3n/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)

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


(Homo sapiens (Human))
BDBM337632
PNG
(4-Hydroxy-6-(tetrahydro-2H-pyran-4-yl)pyridazin-3(...)
Show SMILES Oc1cc(n[nH]c1=O)C1CCOCC1
Show InChI InChI=1S/C9H12N2O3/c12-8-5-7(10-11-9(8)13)6-1-3-14-4-2-6/h5-6H,1-4H2,(H,10,12)(H,11,13)
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n/an/a 4.10E+3n/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)

More data for this
Ligand-Target Pair