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Patent code US10287286

Compile Data Set for Download or QSAR

Found 262 hits of Enzyme Inhibition Constant Data   
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
Egl nine homolog 2


(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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Takeda Pharmaceutical Company Limited

US Patent


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 ...


US Patent US10287286 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 2


(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



Takeda Pharmaceutical Company Limited

US Patent


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 ...


US Patent US10287286 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 2


(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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Takeda Pharmaceutical Company Limited

US Patent


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 ...


US Patent US10287286 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 2


(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



Takeda Pharmaceutical Company Limited

US Patent


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 ...


US Patent US10287286 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 2


(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 Pharmaceutical Company Limited

US Patent


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 ...


US Patent US10287286 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 2


(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



Takeda Pharmaceutical Company Limited

US Patent


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 ...


US Patent US10287286 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 2


(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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Takeda Pharmaceutical Company Limited

US Patent


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 ...


US Patent US10287286 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 2


(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



Takeda Pharmaceutical Company Limited

US Patent


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 ...


US Patent US10287286 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 2


(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



Takeda Pharmaceutical Company Limited

US Patent


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 ...


US Patent US10287286 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 2


(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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Takeda Pharmaceutical Company Limited

US Patent


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 ...


US Patent US10287286 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 2


(Homo sapiens (Human))
BDBM385747
PNG
(US10287286, Example 150)
Show SMILES Fc1cc(ccc1C#N)-c1cc(NC(=O)Nc2ccccc2)cc2ncnn12
Show InChI InChI=1S/C20H13FN6O/c21-17-8-13(6-7-14(17)11-22)18-9-16(10-19-23-12-24-27(18)19)26-20(28)25-15-4-2-1-3-5-15/h1-10,12H,(H2,25,26,28)
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Takeda Pharmaceutical Company Limited

US Patent


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 ...


US Patent US10287286 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 2


(Homo sapiens (Human))
BDBM385709
PNG
(4-(7-{[(2- fluorophenyl) methyl]amino}- [1,2,4]tri...)
Show SMILES Fc1ccccc1CNc1cc(-c2ccc(cc2)C#N)n2ncnc2c1
Show InChI InChI=1S/C20H14FN5/c21-18-4-2-1-3-16(18)12-23-17-9-19(26-20(10-17)24-13-25-26)15-7-5-14(11-22)6-8-15/h1-10,13,23H,12H2
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Takeda Pharmaceutical Company Limited

US Patent


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 ...


US Patent US10287286 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 2


(Homo sapiens (Human))
BDBM50239889
PNG
(CHEMBL4072842 | US10287286, Example 100)
Show SMILES Nc1cc(-c2ccc(cc2)C#N)n2ncnc2c1
Show InChI InChI=1S/C13H9N5/c14-7-9-1-3-10(4-2-9)12-5-11(15)6-13-16-8-17-18(12)13/h1-6,8H,15H2
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n/an/a 13n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


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 ...


US Patent US10287286 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 2


(Homo sapiens (Human))
BDBM385792
PNG
(US10287286, Example 195 | cyclopropylmethyl N-[5-(...)
Show SMILES Fc1cc(ccc1C#N)-c1cc(NC(=O)OCC2CC2)cc2ncnn12
Show InChI InChI=1S/C18H14FN5O2/c19-15-5-12(3-4-13(15)8-20)16-6-14(7-17-21-10-22-24(16)17)23-18(25)26-9-11-1-2-11/h3-7,10-11H,1-2,9H2,(H,23,25)
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Takeda Pharmaceutical Company Limited

US Patent


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 ...


US Patent US10287286 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 2


(Homo sapiens (Human))
BDBM385853
PNG
(US10287286, Example 251)
Show SMILES Cc1nc(ccc1-c1cc(O)cc2ncnn12)C#N
Show InChI InChI=1S/C13H9N5O/c1-8-11(3-2-9(6-14)17-8)12-4-10(19)5-13-15-7-16-18(12)13/h2-5,7,19H,1H3
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Takeda Pharmaceutical Company Limited

US Patent


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 ...


US Patent US10287286 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 2


(Homo sapiens (Human))
BDBM385706
PNG
(4-{7-[(oxolan-2- ylmethyl)amino]- [1,2,4]triazolo[...)
Show SMILES N#Cc1ccc(cc1)-c1cc(NCC2CCCO2)cc2ncnn12
Show InChI InChI=1S/C18H17N5O/c19-10-13-3-5-14(6-4-13)17-8-15(9-18-21-12-22-23(17)18)20-11-16-2-1-7-24-16/h3-6,8-9,12,16,20H,1-2,7,11H2
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Takeda Pharmaceutical Company Limited

US Patent


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 ...


US Patent US10287286 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 2


(Homo sapiens (Human))
BDBM385698
PNG
(4-{7-[(oxolan-3- ylmethyl)amino]- [1,2,4]triazolo[...)
Show SMILES N#Cc1ccc(cc1)-c1cc(NCC2CCOC2)cc2ncnn12
Show InChI InChI=1S/C18H17N5O/c19-9-13-1-3-15(4-2-13)17-7-16(8-18-21-12-22-23(17)18)20-10-14-5-6-24-11-14/h1-4,7-8,12,14,20H,5-6,10-11H2
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Takeda Pharmaceutical Company Limited

US Patent


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 ...


US Patent US10287286 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 2


(Homo sapiens (Human))
BDBM385809
PNG
(US10287286, Example 211)
Show SMILES Cc1nc(nc(C)c1-c1cccc2ncnn12)C#N
Show InChI InChI=1S/C13H10N6/c1-8-13(9(2)18-11(6-14)17-8)10-4-3-5-12-15-7-16-19(10)12/h3-5,7H,1-2H3
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Takeda Pharmaceutical Company Limited

US Patent


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 ...


US Patent US10287286 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 2


(Homo sapiens (Human))
BDBM50239888
PNG
(CHEMBL4094292 | US10287286, Example 103)
Show SMILES CCNc1cc(-c2ccc(cc2)C#N)n2ncnc2c1
Show InChI InChI=1S/C15H13N5/c1-2-17-13-7-14(20-15(8-13)18-10-19-20)12-5-3-11(9-16)4-6-12/h3-8,10,17H,2H2,1H3
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n/an/a 25n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


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 ...


US Patent US10287286 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 2


(Homo sapiens (Human))
BDBM385851
PNG
(US10287286, Example 249)
Show SMILES Cc1cc(ccc1-c1cc(O)cc2ncnn12)C#N
Show InChI InChI=1S/C14H10N4O/c1-9-4-10(7-15)2-3-12(9)13-5-11(19)6-14-16-8-17-18(13)14/h2-6,8,19H,1H3
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Takeda Pharmaceutical Company Limited

US Patent


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 ...


US Patent US10287286 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 2


(Homo sapiens (Human))
BDBM385742
PNG
(US10287286, Example 146)
Show SMILES Nc1cc(-c2ccc(C#N)c(F)c2)n2ncnc2c1
Show InChI InChI=1S/C13H8FN5/c14-11-3-8(1-2-9(11)6-15)12-4-10(16)5-13-17-7-18-19(12)13/h1-5,7H,16H2
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Takeda Pharmaceutical Company Limited

US Patent


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 ...


US Patent US10287286 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 2


(Homo sapiens (Human))
BDBM385750
PNG
(N-[5-(4-cyano-3- fluorophenyl)- [1,2,4]triazolo[1,...)
Show SMILES FC(F)(F)CC(=O)Nc1cc(-c2ccc(cc2)C#N)n2ncnc2c1
Show InChI InChI=1S/C16H10F3N5O/c17-16(18,19)7-15(25)23-12-5-13(24-14(6-12)21-9-22-24)11-3-1-10(8-20)2-4-11/h1-6,9H,7H2,(H,23,25)
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Takeda Pharmaceutical Company Limited

US Patent


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 ...


US Patent US10287286 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 2


(Homo sapiens (Human))
BDBM386909
PNG
(US10287286, Example 260)
Show SMILES Nc1cc(-c2ccc(C#N)c(F)c2F)n2ncnc2c1
Show InChI InChI=1S/C13H7F2N5/c14-12-7(5-16)1-2-9(13(12)15)10-3-8(17)4-11-18-6-19-20(10)11/h1-4,6H,17H2
PDB

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n/an/a 29n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


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 ...


US Patent US10287286 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 2


(Homo sapiens (Human))
BDBM385680
PNG
(4-(5-{[3- (dimethylamino) propyl]amino}- [1,2,4]tr...)
Show SMILES CN(C)CCCNc1cc(-c2ccc(cc2)C#N)n2ncnc2n1
Show InChI InChI=1S/C17H19N7/c1-23(2)9-3-8-19-16-10-15(24-17(22-16)20-12-21-24)14-6-4-13(11-18)5-7-14/h4-7,10,12H,3,8-9H2,1-2H3,(H,19,20,21,22)
PDB

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n/an/a 29n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


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 ...


US Patent US10287286 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 2


(Homo sapiens (Human))
BDBM385710
PNG
(4-(7-{[(3- fluorophenyl) methyl]amino}- [1,2,4]tri...)
Show SMILES Fc1cccc(CNc2cc(-c3ccc(cc3)C#N)n3ncnc3c2)c1
Show InChI InChI=1S/C20H14FN5/c21-17-3-1-2-15(8-17)12-23-18-9-19(26-20(10-18)24-13-25-26)16-6-4-14(11-22)5-7-16/h1-10,13,23H,12H2
PDB

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n/an/a 29n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


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 ...


US Patent US10287286 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 2


(Homo sapiens (Human))
BDBM385820
PNG
(US10287286, Example 219)
Show SMILES Oc1cc(-c2ccc(C#N)c(F)c2)n2ncnc2c1
Show InChI InChI=1S/C13H7FN4O/c14-11-3-8(1-2-9(11)6-15)12-4-10(19)5-13-16-7-17-18(12)13/h1-5,7,19H
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n/an/a 30n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


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 ...


US Patent US10287286 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 2


(Homo sapiens (Human))
BDBM385688
PNG
(4-[5- (cyclopropylamino)- [1,2,4]triazolo[1,5- a]p...)
Show SMILES N#Cc1ccc(cc1)-c1cc(NC2CC2)nc2ncnn12
Show InChI InChI=1S/C15H12N6/c16-8-10-1-3-11(4-2-10)13-7-14(19-12-5-6-12)20-15-17-9-18-21(13)15/h1-4,7,9,12H,5-6H2,(H,17,18,19,20)
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n/an/a 32n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


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 ...


US Patent US10287286 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 2


(Homo sapiens (Human))
BDBM385708
PNG
(4-[7-(benzylamino)- [1,2,4]triazolo[1,5- a]pyridin...)
Show SMILES N#Cc1ccc(cc1)-c1cc(NCc2ccccc2)cc2ncnn12
Show InChI InChI=1S/C20H15N5/c21-12-15-6-8-17(9-7-15)19-10-18(11-20-23-14-24-25(19)20)22-13-16-4-2-1-3-5-16/h1-11,14,22H,13H2
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n/an/a 33n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


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 ...


US Patent US10287286 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 2


(Homo sapiens (Human))
BDBM50239937
PNG
(CHEMBL4083851 | US10287286, Example 3)
Show SMILES N#Cc1ccc(cc1)-c1cccc2ncnn12
Show InChI InChI=1S/C13H8N4/c14-8-10-4-6-11(7-5-10)12-2-1-3-13-15-9-16-17(12)13/h1-7,9H
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n/an/a 34n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


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 ...


US Patent US10287286 (2019)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Egl nine homolog 2


(Homo sapiens (Human))
BDBM385771
PNG
(N-[5-(4-cyano-3- fluorophenyl)- [1,2,4]triazolo[1,...)
Show SMILES Fc1cc(ccc1C#N)-c1cc(NC(=O)C2CC2)cc2ncnn12
Show InChI InChI=1S/C17H12FN5O/c18-14-5-11(3-4-12(14)8-19)15-6-13(22-17(24)10-1-2-10)7-16-20-9-21-23(15)16/h3-7,9-10H,1-2H2,(H,22,24)
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n/an/a 34n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


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 ...


US Patent US10287286 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 2


(Homo sapiens (Human))
BDBM50239915
PNG
(CHEMBL4067559 | US10287286, Example 6)
Show SMILES Fc1cc(cc(F)c1C#N)-c1cccc2ncnn12
Show InChI InChI=1S/C13H6F2N4/c14-10-4-8(5-11(15)9(10)6-16)12-2-1-3-13-17-7-18-19(12)13/h1-5,7H
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n/an/a 34n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


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 ...


US Patent US10287286 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 2


(Homo sapiens (Human))
BDBM385694
PNG
(4-{7-(2- methoxyethyl) amino}- [1,2,4]triazolo[1,5...)
Show SMILES COCCNc1cc(-c2ccc(cc2)C#N)n2ncnc2c1
Show InChI InChI=1S/C16H15N5O/c1-22-7-6-18-14-8-15(21-16(9-14)19-11-20-21)13-4-2-12(10-17)3-5-13/h2-5,8-9,11,18H,6-7H2,1H3
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n/an/a 34n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


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 ...


US Patent US10287286 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 2


(Homo sapiens (Human))
BDBM385850
PNG
(US10287286, Example 248)
Show SMILES Cc1cc(ncc1-c1cc(N)cc2ncnn12)C#N
Show InChI InChI=1S/C13H10N6/c1-8-2-10(5-14)16-6-11(8)12-3-9(15)4-13-17-7-18-19(12)13/h2-4,6-7H,15H2,1H3
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n/an/a 35n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


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 ...


US Patent US10287286 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 2


(Homo sapiens (Human))
BDBM385808
PNG
(US10287286, Example 210)
Show SMILES Nc1cc(-c2ccc(cc2F)C#N)n2ncnc2c1
Show InChI InChI=1S/C13H8FN5/c14-11-3-8(6-15)1-2-10(11)12-4-9(16)5-13-17-7-18-19(12)13/h1-5,7H,16H2
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n/an/a 36n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


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 ...


US Patent US10287286 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 2


(Homo sapiens (Human))
BDBM385697
PNG
(4-{7-[(oxan-4- ylmethyl)amino]- [1,2,4]triazolo[1,...)
Show SMILES N#Cc1ccc(cc1)-c1cc(NCC2CCOCC2)cc2ncnn12
Show InChI InChI=1S/C19H19N5O/c20-11-14-1-3-16(4-2-14)18-9-17(10-19-22-13-23-24(18)19)21-12-15-5-7-25-8-6-15/h1-4,9-10,13,15,21H,5-8,12H2
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Takeda Pharmaceutical Company Limited

US Patent


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 ...


US Patent US10287286 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 2


(Homo sapiens (Human))
BDBM50239890
PNG
(CHEMBL4095005 | US10287286, Example 4)
Show SMILES Cc1cc(-c2ccc(cc2)C#N)n2ncnc2c1
Show InChI InChI=1S/C14H10N4/c1-10-6-13(18-14(7-10)16-9-17-18)12-4-2-11(8-15)3-5-12/h2-7,9H,1H3
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n/an/a 39n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


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 ...


US Patent US10287286 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 2


(Homo sapiens (Human))
BDBM385773
PNG
(US10287286, Example 176)
Show SMILES N#Cc1ccc(cc1)-c1cc(SCc2ccccc2)cc2ncnn12
Show InChI InChI=1S/C20H14N4S/c21-12-15-6-8-17(9-7-15)19-10-18(11-20-22-14-23-24(19)20)25-13-16-4-2-1-3-5-16/h1-11,14H,13H2
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n/an/a 40n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


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 ...


US Patent US10287286 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 2


(Homo sapiens (Human))
BDBM385749
PNG
(N-[5-(4- cyanophenyl)- [1,2,4]triazolo[1,5- a]pyri...)
Show SMILES O=C(Cc1ccccc1)Nc1cc(-c2ccc(cc2)C#N)n2ncnc2c1
Show InChI InChI=1S/C21H15N5O/c22-13-16-6-8-17(9-7-16)19-11-18(12-20-23-14-24-26(19)20)25-21(27)10-15-4-2-1-3-5-15/h1-9,11-12,14H,10H2,(H,25,27)
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n/an/a 42n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


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 ...


US Patent US10287286 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 2


(Homo sapiens (Human))
BDBM385748
PNG
(N-[5-(4- cyanophenyl)- [1,2,4]triazolo[1,5- a]pyri...)
Show SMILES COCCC(=O)Nc1cc(-c2ccc(cc2)C#N)n2ncnc2c1
Show InChI InChI=1S/C17H15N5O2/c1-24-7-6-17(23)21-14-8-15(22-16(9-14)19-11-20-22)13-4-2-12(10-18)3-5-13/h2-5,8-9,11H,6-7H2,1H3,(H,21,23)
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n/an/a 47n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


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 ...


US Patent US10287286 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 2


(Homo sapiens (Human))
BDBM385722
PNG
(2-fluoro-4-(7-{[(3- methyloxetan-3- yl)methyl]amin...)
Show SMILES CC1(CNc2cc(-c3ccc(C#N)c(F)c3)n3ncnc3c2)COC1
Show InChI InChI=1S/C18H16FN5O/c1-18(9-25-10-18)8-21-14-5-16(24-17(6-14)22-11-23-24)12-2-3-13(7-20)15(19)4-12/h2-6,11,21H,8-10H2,1H3
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Takeda Pharmaceutical Company Limited

US Patent


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 ...


US Patent US10287286 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 2


(Homo sapiens (Human))
BDBM385719
PNG
(US10287286, Example 124 | tert-butyl N-[5-(4- cyan...)
Show SMILES CC(C)(C)OC(=O)Nc1cc(-c2ccc(C#N)c(F)c2)n2ncnc2c1
Show InChI InChI=1S/C18H16FN5O2/c1-18(2,3)26-17(25)23-13-7-15(24-16(8-13)21-10-22-24)11-4-5-12(9-20)14(19)6-11/h4-8,10H,1-3H3,(H,23,25)
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n/an/a 49n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


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 ...


US Patent US10287286 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 2


(Homo sapiens (Human))
BDBM385713
PNG
(4-[7-(benzyloxy)- [1,2,4]triazolo[1,5- a]pyridin-5...)
Show SMILES N#Cc1ccc(cc1)-c1cc(OCc2ccccc2)cc2ncnn12
Show InChI InChI=1S/C20H14N4O/c21-12-15-6-8-17(9-7-15)19-10-18(11-20-22-14-23-24(19)20)25-13-16-4-2-1-3-5-16/h1-11,14H,13H2
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n/an/a 49n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


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 ...


US Patent US10287286 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 2


(Homo sapiens (Human))
BDBM385766
PNG
(N-[5-(4-cyano-3- fluorophenyl)- [1,2,4]triazolo[1,...)
Show SMILES Fc1cc(ccc1C#N)-c1cc(NC(=O)CC2CC2)cc2ncnn12
Show InChI InChI=1S/C18H14FN5O/c19-15-6-12(3-4-13(15)9-20)16-7-14(8-17-21-10-22-24(16)17)23-18(25)5-11-1-2-11/h3-4,6-8,10-11H,1-2,5H2,(H,23,25)
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n/an/a 49n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


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 ...


US Patent US10287286 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 2


(Homo sapiens (Human))
BDBM50239921
PNG
(CHEMBL4075128 | US10287286, Example 7)
Show SMILES Fc1cc(ccc1-c1cccc2ncnn12)C#N
Show InChI InChI=1S/C13H7FN4/c14-11-6-9(7-15)4-5-10(11)12-2-1-3-13-16-8-17-18(12)13/h1-6,8H
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Takeda Pharmaceutical Company Limited

US Patent


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 ...


US Patent US10287286 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 2


(Homo sapiens (Human))
BDBM50239913
PNG
(CHEMBL4102714 | US10287286, Example 223)
Show SMILES Cc1c(F)c(ccc1-c1cccc2ncnn12)C#N
Show InChI InChI=1S/C14H9FN4/c1-9-11(6-5-10(7-16)14(9)15)12-3-2-4-13-17-8-18-19(12)13/h2-6,8H,1H3
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Takeda Pharmaceutical Company Limited

US Patent


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 ...


US Patent US10287286 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 2


(Homo sapiens (Human))
BDBM385714
PNG
(US10287286, Example 120 | tert-butyl N-[5-(4- cyan...)
Show SMILES CC(C)(C)OC(=O)Nc1cc(-c2ccc(cc2)C#N)n2ncnc2c1
Show InChI InChI=1S/C18H17N5O2/c1-18(2,3)25-17(24)22-14-8-15(23-16(9-14)20-11-21-23)13-6-4-12(10-19)5-7-13/h4-9,11H,1-3H3,(H,22,24)
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Takeda Pharmaceutical Company Limited

US Patent


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 ...


US Patent US10287286 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 2


(Homo sapiens (Human))
BDBM385721
PNG
(2-fluoro-4-{7- [(3,3,3- trifluoropropyl)- amino][1...)
Show SMILES Fc1cc(ccc1C#N)-c1cc(NCCC(F)(F)F)cc2ncnn12
Show InChI InChI=1S/C16H11F4N5/c17-13-5-10(1-2-11(13)8-21)14-6-12(22-4-3-16(18,19)20)7-15-23-9-24-25(14)15/h1-2,5-7,9,22H,3-4H2
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Takeda Pharmaceutical Company Limited

US Patent


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 ...


US Patent US10287286 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 2


(Homo sapiens (Human))
BDBM385794
PNG
(1-methylpiperidin-4-yl N-[5- (4-cyano-3 -fluorophe...)
Show SMILES C[Na]1CCC(CC1)OC(=O)Nc1cc(-c2ccc(C#N)c(F)c2)n2ncnc2c1
Show InChI InChI=1S/C19H16FN5O2.CH3.Na/c1-3-15(4-2)27-19(26)24-14-8-17(25-18(9-14)22-11-23-25)12-5-6-13(10-21)16(20)7-12;;/h5-9,11,15H,1-4H2,(H,24,26);1H3;
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n/an/a 53n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


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 ...


US Patent US10287286 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 2


(Homo sapiens (Human))
BDBM385712
PNG
(4-[7- (cyclopropyl- methoxy)- [1,2,4]triazolo[1,5-...)
Show SMILES N#Cc1ccc(cc1)-c1cc(OCC2CC2)cc2ncnn12
Show InChI InChI=1S/C17H14N4O/c18-9-12-3-5-14(6-4-12)16-7-15(22-10-13-1-2-13)8-17-19-11-20-21(16)17/h3-8,11,13H,1-2,10H2
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Takeda Pharmaceutical Company Limited

US Patent


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 ...


US Patent US10287286 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 2


(Homo sapiens (Human))
BDBM50239898
PNG
(CHEMBL4070540 | US10287286, Example 2)
Show SMILES Clc1ccc(cc1)-c1cccc2ncnn12
Show InChI InChI=1S/C12H8ClN3/c13-10-6-4-9(5-7-10)11-2-1-3-12-14-8-15-16(11)12/h1-8H
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US Patent
n/an/a 54n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


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 ...


US Patent US10287286 (2019)

More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%