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Compile Data Set for Download or QSAR

Found 938 hits with Last Name = 'kinsella' and Initial = 'n'   
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


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/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))
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



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
Prolyl hydroxylase EGLN2


(Homo sapiens (Human))
BDBM385711
PNG
(4-(7-{[(4- fluorophenyl) methyl]amino}- [1,2,4]tri...)
Show SMILES Fc1ccc(CNc2cc(-c3ccc(cc3)C#N)n3ncnc3c2)cc1
Show InChI InChI=1S/C20H14FN5/c21-17-7-3-15(4-8-17)12-23-18-9-19(26-20(10-18)24-13-25-26)16-5-1-14(11-22)2-6-16/h1-10,13,23H,12H2
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n/an/a 5n/an/an/an/an/an/a



Universita degli Studi di Firenze



Assay Description
The IC50 values for the PHD1 enzyme (residues 1-407) were determined by mixing increasing amounts of a compound of the invention with a fixed amount ...


Bioorg Med Chem 16: 7424-8 (2008)


BindingDB Entry DOI: 10.7270/Q2QJ7KMD
More data for this
Ligand-Target Pair
Prolyl hydroxylase EGLN2


(Homo sapiens (Human))
BDBM385676
PNG
(4-{5- [(cyclopropylmethyl) amino]-[1,2,4] triazolo...)
Show SMILES N#Cc1ccc(cc1)-c1cc(NCC2CC2)nc2ncnn12
Show InChI InChI=1S/C16H14N6/c17-8-11-3-5-13(6-4-11)14-7-15(18-9-12-1-2-12)21-16-19-10-20-22(14)16/h3-7,10,12H,1-2,9H2,(H,18,19,20,21)
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n/an/a 5n/an/an/an/an/an/a



Universita degli Studi di Firenze



Assay Description
The IC50 values for the PHD1 enzyme (residues 1-407) were determined by mixing increasing amounts of a compound of the invention with a fixed amount ...


Bioorg Med Chem 16: 7424-8 (2008)


BindingDB Entry DOI: 10.7270/Q2QJ7KMD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50211428
PNG
(CHEMBL245936 | N-ethyl-4-(4-(2-phenyl-1H-indol-3-y...)
Show SMILES CCNC(=O)N1CCC(CC1)Nc1nccc(n1)-c1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C26H28N6O/c1-2-27-26(33)32-16-13-19(14-17-32)29-25-28-15-12-22(31-25)23-20-10-6-7-11-21(20)30-24(23)18-8-4-3-5-9-18/h3-12,15,19,30H,2,13-14,16-17H2,1H3,(H,27,33)(H,28,29,31)
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n/an/a 5n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of JNK3


Bioorg Med Chem Lett 17: 3463-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.078
BindingDB Entry DOI: 10.7270/Q2959H7W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50211428
PNG
(CHEMBL245936 | N-ethyl-4-(4-(2-phenyl-1H-indol-3-y...)
Show SMILES CCNC(=O)N1CCC(CC1)Nc1nccc(n1)-c1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C26H28N6O/c1-2-27-26(33)32-16-13-19(14-17-32)29-25-28-15-12-22(31-25)23-20-10-6-7-11-21(20)30-24(23)18-8-4-3-5-9-18/h3-12,15,19,30H,2,13-14,16-17H2,1H3,(H,27,33)(H,28,29,31)
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UCB

Curated by ChEMBL


Assay Description
Inhibition of JNK2


Bioorg Med Chem Lett 17: 3463-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.078
BindingDB Entry DOI: 10.7270/Q2959H7W
More data for this
Ligand-Target Pair
Prolyl hydroxylase EGLN2


(Homo sapiens (Human))
BDBM385701
PNG
(4-{7-[(oxetan-3- ylmethyl)amino]- [1,2,4]triazolo[...)
Show SMILES N#Cc1ccc(cc1)-c1cc(NCC2COC2)cc2ncnn12
Show InChI InChI=1S/C17H15N5O/c18-7-12-1-3-14(4-2-12)16-5-15(19-8-13-9-23-10-13)6-17-20-11-21-22(16)17/h1-6,11,13,19H,8-10H2
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n/an/a 5n/an/an/an/an/an/a



Universita degli Studi di Firenze



Assay Description
The IC50 values for the PHD1 enzyme (residues 1-407) were determined by mixing increasing amounts of a compound of the invention with a fixed amount ...


Bioorg Med Chem 16: 7424-8 (2008)


BindingDB Entry DOI: 10.7270/Q2QJ7KMD
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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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))
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



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/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
Prolyl hydroxylase EGLN2


(Homo sapiens (Human))
BDBM50239931
PNG
(CHEMBL4067995 | US10287286, Example 142)
Show SMILES CC(=O)Nc1cc(-c2ccc(cc2)C#N)n2ncnc2c1
Show InChI InChI=1S/C15H11N5O/c1-10(21)19-13-6-14(20-15(7-13)17-9-18-20)12-4-2-11(8-16)3-5-12/h2-7,9H,1H3,(H,19,21)
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n/an/a 8n/an/an/an/an/an/a



Takeda California Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length HIF-PHD1 (unknown origin) expressed in baculovirus infected sf9 cells using DLDLEMLAPYIPMDDDFQL/2-Oxoglutarate as substrate...


J Med Chem 60: 5663-5672 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00352
BindingDB Entry DOI: 10.7270/Q2GQ70XZ
More data for this
Ligand-Target Pair
Prolyl hydroxylase EGLN2


(Homo sapiens (Human))
BDBM385707
PNG
(4-(7-{[2- (dimethylamino) ethyl]amino}- [1,2,4]tri...)
Show SMILES CN(C)CCNc1cc(-c2ccc(cc2)C#N)n2ncnc2c1
Show InChI InChI=1S/C17H18N6/c1-22(2)8-7-19-15-9-16(23-17(10-15)20-12-21-23)14-5-3-13(11-18)4-6-14/h3-6,9-10,12,19H,7-8H2,1-2H3
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n/an/a 8n/an/an/an/an/an/a



Universita degli Studi di Firenze



Assay Description
The IC50 values for the PHD1 enzyme (residues 1-407) were determined by mixing increasing amounts of a compound of the invention with a fixed amount ...


Bioorg Med Chem 16: 7424-8 (2008)


BindingDB Entry DOI: 10.7270/Q2QJ7KMD
More data for this
Ligand-Target Pair
Prolyl hydroxylase EGLN2


(Homo sapiens (Human))
BDBM50239931
PNG
(CHEMBL4067995 | US10287286, Example 142)
Show SMILES CC(=O)Nc1cc(-c2ccc(cc2)C#N)n2ncnc2c1
Show InChI InChI=1S/C15H11N5O/c1-10(21)19-13-6-14(20-15(7-13)17-9-18-20)12-4-2-11(8-16)3-5-12/h2-7,9H,1H3,(H,19,21)
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n/an/a 8n/an/an/an/an/an/a



Universita degli Studi di Firenze



Assay Description
The IC50 values for the PHD1 enzyme (residues 1-407) were determined by mixing increasing amounts of a compound of the invention with a fixed amount ...


Bioorg Med Chem 16: 7424-8 (2008)


BindingDB Entry DOI: 10.7270/Q2QJ7KMD
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))
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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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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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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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
Prolyl hydroxylase EGLN2


(Homo sapiens (Human))
BDBM385702
PNG
(4-{7-[(3,3,3- trifluoropropyl) amino]- [1,2,4]tria...)
Show SMILES FC(F)(F)CCNc1cc(-c2ccc(cc2)C#N)n2ncnc2c1
Show InChI InChI=1S/C16H12F3N5/c17-16(18,19)5-6-21-13-7-14(24-15(8-13)22-10-23-24)12-3-1-11(9-20)2-4-12/h1-4,7-8,10,21H,5-6H2
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n/an/a 9n/an/an/an/an/an/a



Universita degli Studi di Firenze



Assay Description
The IC50 values for the PHD1 enzyme (residues 1-407) were determined by mixing increasing amounts of a compound of the invention with a fixed amount ...


Bioorg Med Chem 16: 7424-8 (2008)


BindingDB Entry DOI: 10.7270/Q2QJ7KMD
More data for this
Ligand-Target Pair
Prolyl hydroxylase EGLN2


(Homo sapiens (Human))
BDBM385693
PNG
(4-{7- [(cyclopropyl- methyl) amino]- [1,2,4]triazo...)
Show SMILES N#Cc1ccc(cc1)-c1cc(NCC2CC2)cc2ncnn12
Show InChI InChI=1S/C17H15N5/c18-9-12-3-5-14(6-4-12)16-7-15(19-10-13-1-2-13)8-17-20-11-21-22(16)17/h3-8,11,13,19H,1-2,10H2
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n/an/a 9n/an/an/an/an/an/a



Universita degli Studi di Firenze



Assay Description
The IC50 values for the PHD1 enzyme (residues 1-407) were determined by mixing increasing amounts of a compound of the invention with a fixed amount ...


Bioorg Med Chem 16: 7424-8 (2008)


BindingDB Entry DOI: 10.7270/Q2QJ7KMD
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



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))
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/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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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/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/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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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



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
Prolyl hydroxylase EGLN2


(Homo sapiens (Human))
BDBM50239883
PNG
(CHEMBL4090769 | US10287286, Example 5)
Show SMILES Fc1cc(ccc1C#N)-c1cccc2ncnn12
Show InChI InChI=1S/C13H7FN4/c14-11-6-9(4-5-10(11)7-15)12-2-1-3-13-16-8-17-18(12)13/h1-6,8H
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n/an/a 10n/an/an/an/an/an/a



Universita degli Studi di Firenze



Assay Description
The IC50 values for the PHD1 enzyme (residues 1-407) were determined by mixing increasing amounts of a compound of the invention with a fixed amount ...


Bioorg Med Chem 16: 7424-8 (2008)


BindingDB Entry DOI: 10.7270/Q2QJ7KMD
More data for this
Ligand-Target Pair
Prolyl hydroxylase EGLN2


(Homo sapiens (Human))
BDBM385700
PNG
(4-{7-[(2,2- difluoroethyl) amino]- [1,2,4]triazolo...)
Show SMILES FC(F)CNc1cc(-c2ccc(cc2)C#N)n2ncnc2c1
Show InChI InChI=1S/C15H11F2N5/c16-14(17)8-19-12-5-13(22-15(6-12)20-9-21-22)11-3-1-10(7-18)2-4-11/h1-6,9,14,19H,8H2
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n/an/a 10n/an/an/an/an/an/a



Universita degli Studi di Firenze



Assay Description
The IC50 values for the PHD1 enzyme (residues 1-407) were determined by mixing increasing amounts of a compound of the invention with a fixed amount ...


Bioorg Med Chem 16: 7424-8 (2008)


BindingDB Entry DOI: 10.7270/Q2QJ7KMD
More data for this
Ligand-Target Pair
Prolyl hydroxylase EGLN2


(Homo sapiens (Human))
BDBM50239883
PNG
(CHEMBL4090769 | US10287286, Example 5)
Show SMILES Fc1cc(ccc1C#N)-c1cccc2ncnn12
Show InChI InChI=1S/C13H7FN4/c14-11-6-9(4-5-10(11)7-15)12-2-1-3-13-16-8-17-18(12)13/h1-6,8H
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Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Takeda California Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length HIF-PHD1 (unknown origin) expressed in baculovirus infected sf9 cells using DLDLEMLAPYIPMDDDFQL/2-Oxoglutarate as substrate...


J Med Chem 60: 5663-5672 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00352
BindingDB Entry DOI: 10.7270/Q2GQ70XZ
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



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))
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))
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))
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))
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
Prolyl hydroxylase EGLN2


(Homo sapiens (Human))
BDBM385674
PNG
(4-[5- (dimethylamino)- [1,2,4]triazolo[1,5- a]pyri...)
Show SMILES CN(C)c1cc(-c2ccc(cc2)C#N)n2ncnc2n1
Show InChI InChI=1S/C14H12N6/c1-19(2)13-7-12(20-14(18-13)16-9-17-20)11-5-3-10(8-15)4-6-11/h3-7,9H,1-2H3
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n/an/a 11n/an/an/an/an/an/a



Universita degli Studi di Firenze



Assay Description
The IC50 values for the PHD1 enzyme (residues 1-407) were determined by mixing increasing amounts of a compound of the invention with a fixed amount ...


Bioorg Med Chem 16: 7424-8 (2008)


BindingDB Entry DOI: 10.7270/Q2QJ7KMD
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



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
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