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Patent code US10407409

Compile Data Set for Download or QSAR

Found 426 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Egl nine homolog 1 (PHD2)


(Homo sapiens (Human))
BDBM413341
PNG
((S)-6-(4-(4-cyanophenyl)-5-hydroxy-1H-pyrazol-1-yl...)
Show SMILES COCC[C@H](C)NC(=O)c1ccc(nc1)-n1ncc(c1O)-c1ccc(cc1)C#N
Show InChI InChI=1S/C21H21N5O3/c1-14(9-10-29-2)25-20(27)17-7-8-19(23-12-17)26-21(28)18(13-24-26)16-5-3-15(11-22)4-6-16/h3-8,12-14,28H,9-10H2,1-2H3,(H,25,27)/t14-/m0/s1
PDB

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US Patent
n/an/a 1.78n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The IC50 values for the PHD2 enzyme (residues 181-417) were determined by mixing increasing amounts of inhibitor with a fixed amount of enzyme (5 nM,...


US Patent US10407409 (2019)


BindingDB Entry DOI: 10.7270/Q2D79DR0
More data for this
Ligand-Target Pair
Egl nine homolog 1 (PHD2)


(Homo sapiens (Human))
BDBM413007
PNG
(6-(4-(4-cyano-2-methylphenyl)-5-hydroxy-1H-pyrazol...)
Show SMILES CN(C)C(=O)c1ccc(nc1)-n1ncc(c1O)-c1ccc(cc1C)C#N
Show InChI InChI=1S/C19H17N5O2/c1-12-8-13(9-20)4-6-15(12)16-11-22-24(19(16)26)17-7-5-14(10-21-17)18(25)23(2)3/h4-8,10-11,26H,1-3H3
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n/an/a 2.14n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The IC50 values for the PHD2 enzyme (residues 181-417) were determined by mixing increasing amounts of inhibitor with a fixed amount of enzyme (5 nM,...


US Patent US10407409 (2019)


BindingDB Entry DOI: 10.7270/Q2D79DR0
More data for this
Ligand-Target Pair
Egl nine homolog 1 (PHD2)


(Homo sapiens (Human))
BDBM413146
PNG
(2-fluoro-4-(5-hydroxy-1-(5-(morpholine-4-carbonyl)...)
Show SMILES Cc1cc(C#N)c(F)cc1-c1cnn(c1O)-c1ccc(cn1)C(=O)N1CCOCC1
Show InChI InChI=1S/C21H18FN5O3/c1-13-8-15(10-23)18(22)9-16(13)17-12-25-27(21(17)29)19-3-2-14(11-24-19)20(28)26-4-6-30-7-5-26/h2-3,8-9,11-12,29H,4-7H2,1H3
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n/an/a 2.24n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The IC50 values for the PHD2 enzyme (residues 181-417) were determined by mixing increasing amounts of inhibitor with a fixed amount of enzyme (5 nM,...


US Patent US10407409 (2019)


BindingDB Entry DOI: 10.7270/Q2D79DR0
More data for this
Ligand-Target Pair
Egl nine homolog 1 (PHD2)


(Homo sapiens (Human))
BDBM413152
PNG
(2-fluoro-4-(5-hydroxy-1-(5-(4-methyl-4,7-diazaspir...)
Show SMILES CN1CCN(CC11CC1)C(=O)c1ccc(nc1)-n1ncc(c1O)-c1cc(F)c(cc1C)C#N
Show InChI InChI=1S/C24H23FN6O2/c1-15-9-17(11-26)20(25)10-18(15)19-13-28-31(23(19)33)21-4-3-16(12-27-21)22(32)30-8-7-29(2)24(14-30)5-6-24/h3-4,9-10,12-13,33H,5-8,14H2,1-2H3
PDB

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n/an/a 2.34n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The IC50 values for the PHD2 enzyme (residues 181-417) were determined by mixing increasing amounts of inhibitor with a fixed amount of enzyme (5 nM,...


US Patent US10407409 (2019)


BindingDB Entry DOI: 10.7270/Q2D79DR0
More data for this
Ligand-Target Pair
Egl nine homolog 1 (PHD2)


(Homo sapiens (Human))
BDBM413353
PNG
((S)-6-(4-(4-cyano-2-methylphenyl)-5-hydroxy-1H-pyr...)
Show SMILES COCC[C@H](C)NC(=O)c1ccc(nc1)-n1ncc(c1O)-c1ccc(cc1C)C#N
Show InChI InChI=1S/C22H23N5O3/c1-14-10-16(11-23)4-6-18(14)19-13-25-27(22(19)29)20-7-5-17(12-24-20)21(28)26-15(2)8-9-30-3/h4-7,10,12-13,15,29H,8-9H2,1-3H3,(H,26,28)/t15-/m0/s1
PDB

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US Patent
n/an/a 2.51n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The IC50 values for the PHD2 enzyme (residues 181-417) were determined by mixing increasing amounts of inhibitor with a fixed amount of enzyme (5 nM,...


US Patent US10407409 (2019)


BindingDB Entry DOI: 10.7270/Q2D79DR0
More data for this
Ligand-Target Pair
Egl nine homolog 1 (PHD2)


(Homo sapiens (Human))
BDBM413246
PNG
(4-(5-hydroxy-1-(5-(4-propylpiperazine-1-carbonyl)p...)
Show SMILES CCCN1CCN(CC1)C(=O)c1ccc(nc1)-n1ncc(c1O)-c1ccc(cc1C)C#N
Show InChI InChI=1S/C24H26N6O2/c1-3-8-28-9-11-29(12-10-28)23(31)19-5-7-22(26-15-19)30-24(32)21(16-27-30)20-6-4-18(14-25)13-17(20)2/h4-7,13,15-16,32H,3,8-12H2,1-2H3
PDB

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n/an/a 2.51n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The IC50 values for the PHD2 enzyme (residues 181-417) were determined by mixing increasing amounts of inhibitor with a fixed amount of enzyme (5 nM,...


US Patent US10407409 (2019)


BindingDB Entry DOI: 10.7270/Q2D79DR0
More data for this
Ligand-Target Pair
Egl nine homolog 1 (PHD2)


(Homo sapiens (Human))
BDBM413134
PNG
(2-fluoro-4-(5-hydroxy-1-(5-(4-methylpiperazine-1-c...)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(nc1)-n1ncc(c1O)-c1cc(F)c(cc1C)C#N
Show InChI InChI=1S/C22H21FN6O2/c1-14-9-16(11-24)19(23)10-17(14)18-13-26-29(22(18)31)20-4-3-15(12-25-20)21(30)28-7-5-27(2)6-8-28/h3-4,9-10,12-13,31H,5-8H2,1-2H3
PDB

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n/an/a 2.57n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The IC50 values for the PHD2 enzyme (residues 181-417) were determined by mixing increasing amounts of inhibitor with a fixed amount of enzyme (5 nM,...


US Patent US10407409 (2019)


BindingDB Entry DOI: 10.7270/Q2D79DR0
More data for this
Ligand-Target Pair
Egl nine homolog 1 (PHD2)


(Homo sapiens (Human))
BDBM413193
PNG
((S)-4-(1-(5-(3-((2,2-difluoroethyl)(methyl)amino)p...)
Show SMILES CN(CC(F)F)[C@H]1CCCN(C1)C(=O)c1ccc(nc1)-n1ncc(c1O)-c1ccc(C#N)c(F)c1C
Show InChI InChI=1S/C25H25F3N6O2/c1-15-19(7-5-16(10-29)23(15)28)20-12-31-34(25(20)36)22-8-6-17(11-30-22)24(35)33-9-3-4-18(13-33)32(2)14-21(26)27/h5-8,11-12,18,21,36H,3-4,9,13-14H2,1-2H3/t18-/m0/s1
PDB

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n/an/a 2.82n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The IC50 values for the PHD2 enzyme (residues 181-417) were determined by mixing increasing amounts of inhibitor with a fixed amount of enzyme (5 nM,...


US Patent US10407409 (2019)


BindingDB Entry DOI: 10.7270/Q2D79DR0
More data for this
Ligand-Target Pair
Egl nine homolog 1 (PHD2)


(Homo sapiens (Human))
BDBM413139
PNG
(2-fluoro-4-(5-hydroxy-1-(5-(4-methyl-4,7-diazaspir...)
Show SMILES CN1CCN(CC11CC1)C(=O)c1ccc(nc1)-n1ncc(c1O)-c1ccc(C#N)c(F)c1C
Show InChI InChI=1S/C24H23FN6O2/c1-15-18(5-3-16(11-26)21(15)25)19-13-28-31(23(19)33)20-6-4-17(12-27-20)22(32)30-10-9-29(2)24(14-30)7-8-24/h3-6,12-13,33H,7-10,14H2,1-2H3
PDB

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n/an/a 2.88n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The IC50 values for the PHD2 enzyme (residues 181-417) were determined by mixing increasing amounts of inhibitor with a fixed amount of enzyme (5 nM,...


US Patent US10407409 (2019)


BindingDB Entry DOI: 10.7270/Q2D79DR0
More data for this
Ligand-Target Pair
Egl nine homolog 1 (PHD2)


(Homo sapiens (Human))
BDBM413210
PNG
((R)-4-(1-(5-(3-((2,2-difluoroethyl)(methyl)amino)p...)
Show SMILES CN(CC(F)F)[C@@H]1CCCN(C1)C(=O)c1ccc(nc1)-n1ncc(c1O)-c1ccc(C#N)c(F)c1C
Show InChI InChI=1S/C25H25F3N6O2/c1-15-19(7-5-16(10-29)23(15)28)20-12-31-34(25(20)36)22-8-6-17(11-30-22)24(35)33-9-3-4-18(13-33)32(2)14-21(26)27/h5-8,11-12,18,21,36H,3-4,9,13-14H2,1-2H3/t18-/m1/s1
PDB

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n/an/a 2.95n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The IC50 values for the PHD2 enzyme (residues 181-417) were determined by mixing increasing amounts of inhibitor with a fixed amount of enzyme (5 nM,...


US Patent US10407409 (2019)


BindingDB Entry DOI: 10.7270/Q2D79DR0
More data for this
Ligand-Target Pair
Egl nine homolog 1 (PHD2)


(Homo sapiens (Human))
BDBM413140
PNG
((S)-4-(1-(5-(4-ethyl-3-methylpiperazine-1-carbonyl...)
Show SMILES CCN1CCN(C[C@@H]1C)C(=O)c1ccc(nc1)-n1ncc(c1O)-c1cc(F)c(cc1C)C#N
Show InChI InChI=1S/C24H25FN6O2/c1-4-29-7-8-30(14-16(29)3)23(32)17-5-6-22(27-12-17)31-24(33)20(13-28-31)19-10-21(25)18(11-26)9-15(19)2/h5-6,9-10,12-13,16,33H,4,7-8,14H2,1-3H3/t16-/m0/s1
PDB

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n/an/a 3.02n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The IC50 values for the PHD2 enzyme (residues 181-417) were determined by mixing increasing amounts of inhibitor with a fixed amount of enzyme (5 nM,...


US Patent US10407409 (2019)


BindingDB Entry DOI: 10.7270/Q2D79DR0
More data for this
Ligand-Target Pair
Egl nine homolog 1 (PHD2)


(Homo sapiens (Human))
BDBM413063
PNG
(4-(1-(5-(4-(2,2-difluoroethyl)piperazine-1-carbony...)
Show SMILES Cc1cc(ccc1-c1cnn(c1O)-c1ccc(cn1)C(=O)N1CCN(CC(F)F)CC1)C#N
Show InChI InChI=1S/C23H22F2N6O2/c1-15-10-16(11-26)2-4-18(15)19-13-28-31(23(19)33)21-5-3-17(12-27-21)22(32)30-8-6-29(7-9-30)14-20(24)25/h2-5,10,12-13,20,33H,6-9,14H2,1H3
PDB

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n/an/a 3.09n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The IC50 values for the PHD2 enzyme (residues 181-417) were determined by mixing increasing amounts of inhibitor with a fixed amount of enzyme (5 nM,...


US Patent US10407409 (2019)


BindingDB Entry DOI: 10.7270/Q2D79DR0
More data for this
Ligand-Target Pair
Egl nine homolog 1 (PHD2)


(Homo sapiens (Human))
BDBM413169
PNG
((S)-4-(1-(5-(3,4-dimethylpiperazine-1-carbonyl)pyr...)
Show SMILES C[C@H]1CN(CCN1C)C(=O)c1ccc(nc1)-n1ncc(c1O)-c1ccc(C#N)c(F)c1C
Show InChI InChI=1S/C23H23FN6O2/c1-14-13-29(9-8-28(14)3)22(31)17-5-7-20(26-11-17)30-23(32)19(12-27-30)18-6-4-16(10-25)21(24)15(18)2/h4-7,11-12,14,32H,8-9,13H2,1-3H3/t14-/m0/s1
PDB

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n/an/a 3.16n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The IC50 values for the PHD2 enzyme (residues 181-417) were determined by mixing increasing amounts of inhibitor with a fixed amount of enzyme (5 nM,...


US Patent US10407409 (2019)


BindingDB Entry DOI: 10.7270/Q2D79DR0
More data for this
Ligand-Target Pair
Egl nine homolog 1 (PHD2)


(Homo sapiens (Human))
BDBM413199
PNG
((R)-2-fluoro-4-(5-hydroxy-1-(5-(octahydropyrrolo[1...)
Show SMILES Cc1c(F)c(ccc1-c1cnn(c1O)-c1ccc(cn1)C(=O)N1CCN2CCC[C@@H]2C1)C#N
Show InChI InChI=1S/C24H23FN6O2/c1-15-19(6-4-16(11-26)22(15)25)20-13-28-31(24(20)33)21-7-5-17(12-27-21)23(32)30-10-9-29-8-2-3-18(29)14-30/h4-7,12-13,18,33H,2-3,8-10,14H2,1H3/t18-/m1/s1
PDB

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n/an/a 3.16n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The IC50 values for the PHD2 enzyme (residues 181-417) were determined by mixing increasing amounts of inhibitor with a fixed amount of enzyme (5 nM,...


US Patent US10407409 (2019)


BindingDB Entry DOI: 10.7270/Q2D79DR0
More data for this
Ligand-Target Pair
Egl nine homolog 1 (PHD2)


(Homo sapiens (Human))
BDBM413158
PNG
((S)-4-(1-(5-(3,4-dimethylpiperazine-1-carbonyl)pyr...)
Show SMILES C[C@H]1CN(CCN1C)C(=O)c1ccc(nc1)-n1ncc(c1O)-c1cc(F)c(cc1C)C#N
Show InChI InChI=1S/C23H23FN6O2/c1-14-8-17(10-25)20(24)9-18(14)19-12-27-30(23(19)32)21-5-4-16(11-26-21)22(31)29-7-6-28(3)15(2)13-29/h4-5,8-9,11-12,15,32H,6-7,13H2,1-3H3/t15-/m0/s1
PDB

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n/an/a 3.16n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The IC50 values for the PHD2 enzyme (residues 181-417) were determined by mixing increasing amounts of inhibitor with a fixed amount of enzyme (5 nM,...


US Patent US10407409 (2019)


BindingDB Entry DOI: 10.7270/Q2D79DR0
More data for this
Ligand-Target Pair
Egl nine homolog 1 (PHD2)


(Homo sapiens (Human))
BDBM413069
PNG
(4-(5-hydroxy-1-(5-(4-(2,2,2-trifluoroethyl)piperaz...)
Show SMILES Cc1cc(ccc1-c1cnn(c1O)-c1ccc(cn1)C(=O)N1CCN(CC(F)(F)F)CC1)C#N
Show InChI InChI=1S/C23H21F3N6O2/c1-15-10-16(11-27)2-4-18(15)19-13-29-32(22(19)34)20-5-3-17(12-28-20)21(33)31-8-6-30(7-9-31)14-23(24,25)26/h2-5,10,12-13,34H,6-9,14H2,1H3
PDB

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n/an/a 3.16n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The IC50 values for the PHD2 enzyme (residues 181-417) were determined by mixing increasing amounts of inhibitor with a fixed amount of enzyme (5 nM,...


US Patent US10407409 (2019)


BindingDB Entry DOI: 10.7270/Q2D79DR0
More data for this
Ligand-Target Pair
Egl nine homolog 1 (PHD2)


(Homo sapiens (Human))
BDBM413194
PNG
(6-(4-(4-cyano-3-fluoro-2-methylphenyl)-5-hydroxy-1...)
Show SMILES COCCCNC(=O)c1ccc(nc1)-n1ncc(c1O)-c1ccc(C#N)c(F)c1C
Show InChI InChI=1S/C21H20FN5O3/c1-13-16(6-4-14(10-23)19(13)22)17-12-26-27(21(17)29)18-7-5-15(11-25-18)20(28)24-8-3-9-30-2/h4-7,11-12,29H,3,8-9H2,1-2H3,(H,24,28)
PDB

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n/an/a 3.24n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The IC50 values for the PHD2 enzyme (residues 181-417) were determined by mixing increasing amounts of inhibitor with a fixed amount of enzyme (5 nM,...


US Patent US10407409 (2019)


BindingDB Entry DOI: 10.7270/Q2D79DR0
More data for this
Ligand-Target Pair
Egl nine homolog 1 (PHD2)


(Homo sapiens (Human))
BDBM413340
PNG
(6-(4-(4-cyano-2-fluorophenyl)-5-hydroxy-1H-pyrazol...)
Show SMILES COCCCCNC(=O)c1ccc(nc1)-n1ncc(c1O)-c1ccc(cc1F)C#N
Show InChI InChI=1S/C21H20FN5O3/c1-30-9-3-2-8-24-20(28)15-5-7-19(25-12-15)27-21(29)17(13-26-27)16-6-4-14(11-23)10-18(16)22/h4-7,10,12-13,29H,2-3,8-9H2,1H3,(H,24,28)
PDB

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n/an/a 3.31n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The IC50 values for the PHD2 enzyme (residues 181-417) were determined by mixing increasing amounts of inhibitor with a fixed amount of enzyme (5 nM,...


US Patent US10407409 (2019)


BindingDB Entry DOI: 10.7270/Q2D79DR0
More data for this
Ligand-Target Pair
Egl nine homolog 1 (PHD2)


(Homo sapiens (Human))
BDBM413188
PNG
(6-(4-(4-cyano-5-fluoro-2-methylphenyl)-5-hydroxy-1...)
Show SMILES COCCCNC(=O)c1ccc(nc1)-n1ncc(c1O)-c1cc(F)c(cc1C)C#N
Show InChI InChI=1S/C21H20FN5O3/c1-13-8-15(10-23)18(22)9-16(13)17-12-26-27(21(17)29)19-5-4-14(11-25-19)20(28)24-6-3-7-30-2/h4-5,8-9,11-12,29H,3,6-7H2,1-2H3,(H,24,28)
PDB

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n/an/a 3.31n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The IC50 values for the PHD2 enzyme (residues 181-417) were determined by mixing increasing amounts of inhibitor with a fixed amount of enzyme (5 nM,...


US Patent US10407409 (2019)


BindingDB Entry DOI: 10.7270/Q2D79DR0
More data for this
Ligand-Target Pair
Egl nine homolog 1 (PHD2)


(Homo sapiens (Human))
BDBM413128
PNG
((R)-4-(1-(5-(4-ethyl-3-methylpiperazine-1-carbonyl...)
Show SMILES CCN1CCN(C[C@H]1C)C(=O)c1ccc(nc1)-n1ncc(c1O)-c1cc(F)c(cc1C)C#N
Show InChI InChI=1S/C24H25FN6O2/c1-4-29-7-8-30(14-16(29)3)23(32)17-5-6-22(27-12-17)31-24(33)20(13-28-31)19-10-21(25)18(11-26)9-15(19)2/h5-6,9-10,12-13,16,33H,4,7-8,14H2,1-3H3/t16-/m1/s1
PDB

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n/an/a 3.31n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The IC50 values for the PHD2 enzyme (residues 181-417) were determined by mixing increasing amounts of inhibitor with a fixed amount of enzyme (5 nM,...


US Patent US10407409 (2019)


BindingDB Entry DOI: 10.7270/Q2D79DR0
More data for this
Ligand-Target Pair
Egl nine homolog 1 (PHD2)


(Homo sapiens (Human))
BDBM413200
PNG
(4-(5-hydroxy-1-(5-(octahydropyrrolo[1,2-a]pyrazine...)
Show SMILES Cc1cc(ccc1-c1cnn(c1O)-c1ccc(cn1)C(=O)N1CCN2CCCC2C1)C#N
Show InChI InChI=1S/C24H24N6O2/c1-16-11-17(12-25)4-6-20(16)21-14-27-30(24(21)32)22-7-5-18(13-26-22)23(31)29-10-9-28-8-2-3-19(28)15-29/h4-7,11,13-14,19,32H,2-3,8-10,15H2,1H3
PDB

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n/an/a 3.31n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The IC50 values for the PHD2 enzyme (residues 181-417) were determined by mixing increasing amounts of inhibitor with a fixed amount of enzyme (5 nM,...


US Patent US10407409 (2019)


BindingDB Entry DOI: 10.7270/Q2D79DR0
More data for this
Ligand-Target Pair
Egl nine homolog 1 (PHD2)


(Homo sapiens (Human))
BDBM413157
PNG
(2-fluoro-4-(5-hydroxy-1-(5-(morpholine-4-carbonyl)...)
Show SMILES Cc1c(F)c(ccc1-c1cnn(c1O)-c1ccc(cn1)C(=O)N1CCOCC1)C#N
Show InChI InChI=1S/C21H18FN5O3/c1-13-16(4-2-14(10-23)19(13)22)17-12-25-27(21(17)29)18-5-3-15(11-24-18)20(28)26-6-8-30-9-7-26/h2-5,11-12,29H,6-9H2,1H3
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n/an/a 3.39n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The IC50 values for the PHD2 enzyme (residues 181-417) were determined by mixing increasing amounts of inhibitor with a fixed amount of enzyme (5 nM,...


US Patent US10407409 (2019)


BindingDB Entry DOI: 10.7270/Q2D79DR0
More data for this
Ligand-Target Pair
Egl nine homolog 1 (PHD2)


(Homo sapiens (Human))
BDBM413239
PNG
((S)-4-(1-(5-(4-ethyl-2-methylpiperazine-1-carbonyl...)
Show SMILES CCN1CCN([C@@H](C)C1)C(=O)c1ccc(nc1)-n1ncc(c1O)-c1ccc(C#N)c(F)c1C
Show InChI InChI=1S/C24H25FN6O2/c1-4-29-9-10-30(15(2)14-29)23(32)18-6-8-21(27-12-18)31-24(33)20(13-28-31)19-7-5-17(11-26)22(25)16(19)3/h5-8,12-13,15,33H,4,9-10,14H2,1-3H3/t15-/m0/s1
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n/an/a 3.39n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The IC50 values for the PHD2 enzyme (residues 181-417) were determined by mixing increasing amounts of inhibitor with a fixed amount of enzyme (5 nM,...


US Patent US10407409 (2019)


BindingDB Entry DOI: 10.7270/Q2D79DR0
More data for this
Ligand-Target Pair
Egl nine homolog 1 (PHD2)


(Homo sapiens (Human))
BDBM413187
PNG
((S)-2-fluoro-4-(5-hydroxy-1-(5-(3-(methyl(2,2,2-tr...)
Show SMILES CN(CC(F)(F)F)[C@H]1CCCN(C1)C(=O)c1ccc(nc1)-n1ncc(c1O)-c1ccc(C#N)c(F)c1C
Show InChI InChI=1S/C25H24F4N6O2/c1-15-19(7-5-16(10-30)22(15)26)20-12-32-35(24(20)37)21-8-6-17(11-31-21)23(36)34-9-3-4-18(13-34)33(2)14-25(27,28)29/h5-8,11-12,18,37H,3-4,9,13-14H2,1-2H3/t18-/m0/s1
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n/an/a 3.39n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The IC50 values for the PHD2 enzyme (residues 181-417) were determined by mixing increasing amounts of inhibitor with a fixed amount of enzyme (5 nM,...


US Patent US10407409 (2019)


BindingDB Entry DOI: 10.7270/Q2D79DR0
More data for this
Ligand-Target Pair
Egl nine homolog 1 (PHD2)


(Homo sapiens (Human))
BDBM412995
PNG
(4-(1-(5-(6,6-difluoro-4-methyl-1,4-diazepane-1-car...)
Show SMILES CN1CCN(CC(F)(F)C1)C(=O)c1ccc(nc1)-n1ncc(c1O)-c1ccc(cc1C)C#N
Show InChI InChI=1S/C23H22F2N6O2/c1-15-9-16(10-26)3-5-18(15)19-12-28-31(22(19)33)20-6-4-17(11-27-20)21(32)30-8-7-29(2)13-23(24,25)14-30/h3-6,9,11-12,33H,7-8,13-14H2,1-2H3
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n/an/a 3.47n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The IC50 values for the PHD2 enzyme (residues 181-417) were determined by mixing increasing amounts of inhibitor with a fixed amount of enzyme (5 nM,...


US Patent US10407409 (2019)


BindingDB Entry DOI: 10.7270/Q2D79DR0
More data for this
Ligand-Target Pair
Egl nine homolog 1 (PHD2)


(Homo sapiens (Human))
BDBM413335
PNG
((R)-6-(4-(4-cyanophenyl)-5-hydroxy-1H-pyrazol-1-yl...)
Show SMILES COCC[C@@H](C)NC(=O)c1ccc(nc1)-n1ncc(c1O)-c1ccc(cc1)C#N
Show InChI InChI=1S/C21H21N5O3/c1-14(9-10-29-2)25-20(27)17-7-8-19(23-12-17)26-21(28)18(13-24-26)16-5-3-15(11-22)4-6-16/h3-8,12-14,28H,9-10H2,1-2H3,(H,25,27)/t14-/m1/s1
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n/an/a 3.47n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The IC50 values for the PHD2 enzyme (residues 181-417) were determined by mixing increasing amounts of inhibitor with a fixed amount of enzyme (5 nM,...


US Patent US10407409 (2019)


BindingDB Entry DOI: 10.7270/Q2D79DR0
More data for this
Ligand-Target Pair
Egl nine homolog 1 (PHD2)


(Homo sapiens (Human))
BDBM413347
PNG
((R)-6-(4-(4-cyano-2-methylphenyl)-5-hydroxy-1H-pyr...)
Show SMILES COCC[C@@H](C)NC(=O)c1ccc(nc1)-n1ncc(c1O)-c1ccc(cc1C)C#N
Show InChI InChI=1S/C22H23N5O3/c1-14-10-16(11-23)4-6-18(14)19-13-25-27(22(19)29)20-7-5-17(12-24-20)21(28)26-15(2)8-9-30-3/h4-7,10,12-13,15,29H,8-9H2,1-3H3,(H,26,28)/t15-/m1/s1
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n/an/a 3.55n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The IC50 values for the PHD2 enzyme (residues 181-417) were determined by mixing increasing amounts of inhibitor with a fixed amount of enzyme (5 nM,...


US Patent US10407409 (2019)


BindingDB Entry DOI: 10.7270/Q2D79DR0
More data for this
Ligand-Target Pair
Egl nine homolog 1 (PHD2)


(Homo sapiens (Human))
BDBM413164
PNG
((R)-4-(1-(5-(3,4-dimethylpiperazine-1-carbonyl)pyr...)
Show SMILES C[C@@H]1CN(CCN1C)C(=O)c1ccc(nc1)-n1ncc(c1O)-c1cc(F)c(cc1C)C#N
Show InChI InChI=1S/C23H23FN6O2/c1-14-8-17(10-25)20(24)9-18(14)19-12-27-30(23(19)32)21-5-4-16(11-26-21)22(31)29-7-6-28(3)15(2)13-29/h4-5,8-9,11-12,15,32H,6-7,13H2,1-3H3/t15-/m1/s1
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n/an/a 3.63n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The IC50 values for the PHD2 enzyme (residues 181-417) were determined by mixing increasing amounts of inhibitor with a fixed amount of enzyme (5 nM,...


US Patent US10407409 (2019)


BindingDB Entry DOI: 10.7270/Q2D79DR0
More data for this
Ligand-Target Pair
Egl nine homolog 1 (PHD2)


(Homo sapiens (Human))
BDBM413023
PNG
(4-(5-hydroxy-1-(5-(3,3,4-trimethylpiperazine-1-car...)
Show SMILES CN1CCN(CC1(C)C)C(=O)c1ccc(nc1)-n1ncc(c1O)-c1ccc(cc1C)C#N
Show InChI InChI=1S/C24H26N6O2/c1-16-11-17(12-25)5-7-19(16)20-14-27-30(23(20)32)21-8-6-18(13-26-21)22(31)29-10-9-28(4)24(2,3)15-29/h5-8,11,13-14,32H,9-10,15H2,1-4H3
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n/an/a 3.63n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The IC50 values for the PHD2 enzyme (residues 181-417) were determined by mixing increasing amounts of inhibitor with a fixed amount of enzyme (5 nM,...


US Patent US10407409 (2019)


BindingDB Entry DOI: 10.7270/Q2D79DR0
More data for this
Ligand-Target Pair
Egl nine homolog 1 (PHD2)


(Homo sapiens (Human))
BDBM413145
PNG
(2-fluoro-4-(5-hydroxy-1-(5-(pyrrolidine-1-carbonyl...)
Show SMILES Cc1c(F)c(ccc1-c1cnn(c1O)-c1ccc(cn1)C(=O)N1CCCC1)C#N
Show InChI InChI=1S/C21H18FN5O2/c1-13-16(6-4-14(10-23)19(13)22)17-12-25-27(21(17)29)18-7-5-15(11-24-18)20(28)26-8-2-3-9-26/h4-7,11-12,29H,2-3,8-9H2,1H3
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n/an/a 3.63n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The IC50 values for the PHD2 enzyme (residues 181-417) were determined by mixing increasing amounts of inhibitor with a fixed amount of enzyme (5 nM,...


US Patent US10407409 (2019)


BindingDB Entry DOI: 10.7270/Q2D79DR0
More data for this
Ligand-Target Pair
Egl nine homolog 1 (PHD2)


(Homo sapiens (Human))
BDBM413205
PNG
(2-fluoro-4-(5-hydroxy-1-(5-(3-(piperidin-1-yl)azet...)
Show SMILES Cc1c(F)c(ccc1-c1cnn(c1O)-c1ccc(cn1)C(=O)N1CC(C1)N1CCCCC1)C#N
Show InChI InChI=1S/C25H25FN6O2/c1-16-20(7-5-17(11-27)23(16)26)21-13-29-32(25(21)34)22-8-6-18(12-28-22)24(33)31-14-19(15-31)30-9-3-2-4-10-30/h5-8,12-13,19,34H,2-4,9-10,14-15H2,1H3
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n/an/a 3.72n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The IC50 values for the PHD2 enzyme (residues 181-417) were determined by mixing increasing amounts of inhibitor with a fixed amount of enzyme (5 nM,...


US Patent US10407409 (2019)


BindingDB Entry DOI: 10.7270/Q2D79DR0
More data for this
Ligand-Target Pair
Egl nine homolog 1 (PHD2)


(Homo sapiens (Human))
BDBM413011
PNG
(6-(4-(4-cyano-2-methylphenyl)-5-hydroxy-1H-pyrazol...)
Show SMILES Cc1cc(ccc1-c1cnn(c1O)-c1ccc(cn1)C(=O)NC1CCN(CC(F)(F)F)CC1)C#N
Show InChI InChI=1S/C24H23F3N6O2/c1-15-10-16(11-28)2-4-19(15)20-13-30-33(23(20)35)21-5-3-17(12-29-21)22(34)31-18-6-8-32(9-7-18)14-24(25,26)27/h2-5,10,12-13,18,35H,6-9,14H2,1H3,(H,31,34)
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n/an/a 3.89n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The IC50 values for the PHD2 enzyme (residues 181-417) were determined by mixing increasing amounts of inhibitor with a fixed amount of enzyme (5 nM,...


US Patent US10407409 (2019)


BindingDB Entry DOI: 10.7270/Q2D79DR0
More data for this
Ligand-Target Pair
Egl nine homolog 1 (PHD2)


(Homo sapiens (Human))
BDBM413246
PNG
(4-(5-hydroxy-1-(5-(4-propylpiperazine-1-carbonyl)p...)
Show SMILES CCCN1CCN(CC1)C(=O)c1ccc(nc1)-n1ncc(c1O)-c1ccc(cc1C)C#N
Show InChI InChI=1S/C24H26N6O2/c1-3-8-28-9-11-29(12-10-28)23(31)19-5-7-22(26-15-19)30-24(32)21(16-27-30)20-6-4-18(14-25)13-17(20)2/h4-7,13,15-16,32H,3,8-12H2,1-2H3
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n/an/a 3.89n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The IC50 values for the PHD2 enzyme (residues 181-417) were determined by mixing increasing amounts of inhibitor with a fixed amount of enzyme (5 nM,...


US Patent US10407409 (2019)


BindingDB Entry DOI: 10.7270/Q2D79DR0
More data for this
Ligand-Target Pair
Egl nine homolog 1 (PHD2)


(Homo sapiens (Human))
BDBM413223
PNG
(6-(5-hydroxy-4-(2-methoxypyridin-4-yl)-1H-pyrazol-...)
Show SMILES COCC1(CNC(=O)c2ccc(nc2)-n2ncc(c2O)-c2ccnc(OC)c2)CCCC1
Show InChI InChI=1S/C23H27N5O4/c1-31-15-23(8-3-4-9-23)14-26-21(29)17-5-6-19(25-12-17)28-22(30)18(13-27-28)16-7-10-24-20(11-16)32-2/h5-7,10-13,30H,3-4,8-9,14-15H2,1-2H3,(H,26,29)
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n/an/a 3.98n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The IC50 values for the PHD2 enzyme (residues 181-417) were determined by mixing increasing amounts of inhibitor with a fixed amount of enzyme (5 nM,...


US Patent US10407409 (2019)


BindingDB Entry DOI: 10.7270/Q2D79DR0
More data for this
Ligand-Target Pair
Egl nine homolog 1 (PHD2)


(Homo sapiens (Human))
BDBM413148
PNG
(6-(4-(4-cyano-2-methylphenyl)-5-hydroxy-1H-pyrazol...)
Show SMILES CNC(=O)c1ccc(nc1)-n1ncc(c1O)-c1ccc(cc1C)C#N
Show InChI InChI=1S/C18H15N5O2/c1-11-7-12(8-19)3-5-14(11)15-10-22-23(18(15)25)16-6-4-13(9-21-16)17(24)20-2/h3-7,9-10,25H,1-2H3,(H,20,24)
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n/an/a 3.98n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The IC50 values for the PHD2 enzyme (residues 181-417) were determined by mixing increasing amounts of inhibitor with a fixed amount of enzyme (5 nM,...


US Patent US10407409 (2019)


BindingDB Entry DOI: 10.7270/Q2D79DR0
More data for this
Ligand-Target Pair
Egl nine homolog 1 (PHD2)


(Homo sapiens (Human))
BDBM413221
PNG
((R)-4-(1-(5-(4-ethyl-3-methylpiperazine-1-carbonyl...)
Show SMILES CCN1CCN(C[C@H]1C)C(=O)c1ccc(nc1)-n1ncc(c1O)-c1ccc(C#N)c(F)c1C
Show InChI InChI=1S/C24H25FN6O2/c1-4-29-9-10-30(14-15(29)2)23(32)18-6-8-21(27-12-18)31-24(33)20(13-28-31)19-7-5-17(11-26)22(25)16(19)3/h5-8,12-13,15,33H,4,9-10,14H2,1-3H3/t15-/m1/s1
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n/an/a 3.98n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The IC50 values for the PHD2 enzyme (residues 181-417) were determined by mixing increasing amounts of inhibitor with a fixed amount of enzyme (5 nM,...


US Patent US10407409 (2019)


BindingDB Entry DOI: 10.7270/Q2D79DR0
More data for this
Ligand-Target Pair
Egl nine homolog 1 (PHD2)


(Homo sapiens (Human))
BDBM413104
PNG
(6-(4-(4-cyano-2-methylphenyl)-5-hydroxy-1H-pyrazol...)
Show SMILES Cc1cc(ccc1-c1cnn(c1O)-c1ccc(cn1)C(=O)NCCC1CCCO1)C#N
Show InChI InChI=1S/C23H23N5O3/c1-15-11-16(12-24)4-6-19(15)20-14-27-28(23(20)30)21-7-5-17(13-26-21)22(29)25-9-8-18-3-2-10-31-18/h4-7,11,13-14,18,30H,2-3,8-10H2,1H3,(H,25,29)
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n/an/a 3.98n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The IC50 values for the PHD2 enzyme (residues 181-417) were determined by mixing increasing amounts of inhibitor with a fixed amount of enzyme (5 nM,...


US Patent US10407409 (2019)


BindingDB Entry DOI: 10.7270/Q2D79DR0
More data for this
Ligand-Target Pair
Egl nine homolog 1 (PHD2)


(Homo sapiens (Human))
BDBM413121
PNG
(4-(1-(5-(3-(dimethylamino)azetidine-1-carbonyl)pyr...)
Show SMILES CN(C)C1CN(C1)C(=O)c1ccc(nc1)-n1ncc(c1O)-c1ccc(C#N)c(F)c1C
Show InChI InChI=1S/C22H21FN6O2/c1-13-17(6-4-14(8-24)20(13)23)18-10-26-29(22(18)31)19-7-5-15(9-25-19)21(30)28-11-16(12-28)27(2)3/h4-7,9-10,16,31H,11-12H2,1-3H3
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n/an/a 3.98n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The IC50 values for the PHD2 enzyme (residues 181-417) were determined by mixing increasing amounts of inhibitor with a fixed amount of enzyme (5 nM,...


US Patent US10407409 (2019)


BindingDB Entry DOI: 10.7270/Q2D79DR0
More data for this
Ligand-Target Pair
Egl nine homolog 1 (PHD2)


(Homo sapiens (Human))
BDBM413098
PNG
(6-(4-(4-cyano-2-methylphenyl)-5-hydroxy-1H-pyrazol...)
Show SMILES Cc1cc(ccc1-c1cnn(c1O)-c1ccc(cn1)C(=O)NC1CC2(COC2)C1)C#N
Show InChI InChI=1S/C23H21N5O3/c1-14-6-15(9-24)2-4-18(14)19-11-26-28(22(19)30)20-5-3-16(10-25-20)21(29)27-17-7-23(8-17)12-31-13-23/h2-6,10-11,17,30H,7-8,12-13H2,1H3,(H,27,29)
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n/an/a 3.98n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The IC50 values for the PHD2 enzyme (residues 181-417) were determined by mixing increasing amounts of inhibitor with a fixed amount of enzyme (5 nM,...


US Patent US10407409 (2019)


BindingDB Entry DOI: 10.7270/Q2D79DR0
More data for this
Ligand-Target Pair
Egl nine homolog 1 (PHD2)


(Homo sapiens (Human))
BDBM413163
PNG
((S)-4-(1-(5-(4-ethyl-3-methylpiperazine-1-carbonyl...)
Show SMILES CCN1CCN(C[C@@H]1C)C(=O)c1ccc(nc1)-n1ncc(c1O)-c1ccc(C#N)c(F)c1C
Show InChI InChI=1S/C24H25FN6O2/c1-4-29-9-10-30(14-15(29)2)23(32)18-6-8-21(27-12-18)31-24(33)20(13-28-31)19-7-5-17(11-26)22(25)16(19)3/h5-8,12-13,15,33H,4,9-10,14H2,1-3H3/t15-/m0/s1
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n/an/a 4.07n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The IC50 values for the PHD2 enzyme (residues 181-417) were determined by mixing increasing amounts of inhibitor with a fixed amount of enzyme (5 nM,...


US Patent US10407409 (2019)


BindingDB Entry DOI: 10.7270/Q2D79DR0
More data for this
Ligand-Target Pair
Egl nine homolog 1 (PHD2)


(Homo sapiens (Human))
BDBM412984
PNG
(4-(1-(5-(3-(cyclobutyl(methyl)amino)azetidine-1-ca...)
Show SMILES CN(C1CCC1)C1CN(C1)C(=O)c1ccc(nc1)-n1ncc(c1O)-c1ccc(cc1C)C#N
Show InChI InChI=1S/C25H26N6O2/c1-16-10-17(11-26)6-8-21(16)22-13-28-31(25(22)33)23-9-7-18(12-27-23)24(32)30-14-20(15-30)29(2)19-4-3-5-19/h6-10,12-13,19-20,33H,3-5,14-15H2,1-2H3
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n/an/a 4.07n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The IC50 values for the PHD2 enzyme (residues 181-417) were determined by mixing increasing amounts of inhibitor with a fixed amount of enzyme (5 nM,...


US Patent US10407409 (2019)


BindingDB Entry DOI: 10.7270/Q2D79DR0
More data for this
Ligand-Target Pair
Egl nine homolog 1 (PHD2)


(Homo sapiens (Human))
BDBM413039
PNG
(4-(1-(5-(4-cyclopropylpiperazine-1-carbonyl)pyridi...)
Show SMILES Cc1c(F)c(ccc1-c1cnn(c1O)-c1ccc(cn1)C(=O)N1CCN(CC1)C1CC1)C#N
Show InChI InChI=1S/C24H23FN6O2/c1-15-19(6-2-16(12-26)22(15)25)20-14-28-31(24(20)33)21-7-3-17(13-27-21)23(32)30-10-8-29(9-11-30)18-4-5-18/h2-3,6-7,13-14,18,33H,4-5,8-11H2,1H3
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n/an/a 4.07n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The IC50 values for the PHD2 enzyme (residues 181-417) were determined by mixing increasing amounts of inhibitor with a fixed amount of enzyme (5 nM,...


US Patent US10407409 (2019)


BindingDB Entry DOI: 10.7270/Q2D79DR0
More data for this
Ligand-Target Pair
Egl nine homolog 1 (PHD2)


(Homo sapiens (Human))
BDBM413240
PNG
(4-(1-(5-(4-cyclopropylpiperazine-1-carbonyl)pyridi...)
Show SMILES Cc1cc(ccc1-c1cnn(c1O)-c1ccc(cn1)C(=O)N1CCN(CC1)C1CC1)C#N
Show InChI InChI=1S/C24H24N6O2/c1-16-12-17(13-25)2-6-20(16)21-15-27-30(24(21)32)22-7-3-18(14-26-22)23(31)29-10-8-28(9-11-29)19-4-5-19/h2-3,6-7,12,14-15,19,32H,4-5,8-11H2,1H3
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n/an/a 4.07n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The IC50 values for the PHD2 enzyme (residues 181-417) were determined by mixing increasing amounts of inhibitor with a fixed amount of enzyme (5 nM,...


US Patent US10407409 (2019)


BindingDB Entry DOI: 10.7270/Q2D79DR0
More data for this
Ligand-Target Pair
Egl nine homolog 1 (PHD2)


(Homo sapiens (Human))
BDBM413233
PNG
((R)-4-(1-(5-(3,4-dimethylpiperazine-1-carbonyl)pyr...)
Show SMILES C[C@@H]1CN(CCN1C)C(=O)c1ccc(nc1)-n1ncc(c1O)-c1ccc(C#N)c(F)c1C
Show InChI InChI=1S/C23H23FN6O2/c1-14-13-29(9-8-28(14)3)22(31)17-5-7-20(26-11-17)30-23(32)19(12-27-30)18-6-4-16(10-25)21(24)15(18)2/h4-7,11-12,14,32H,8-9,13H2,1-3H3/t14-/m1/s1
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n/an/a 4.07n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The IC50 values for the PHD2 enzyme (residues 181-417) were determined by mixing increasing amounts of inhibitor with a fixed amount of enzyme (5 nM,...


US Patent US10407409 (2019)


BindingDB Entry DOI: 10.7270/Q2D79DR0
More data for this
Ligand-Target Pair
Egl nine homolog 1 (PHD2)


(Homo sapiens (Human))
BDBM413216
PNG
((R)-2-fluoro-4-(5-hydroxy-1-(5-(4-isopropyl-3-meth...)
Show SMILES CC(C)N1CCN(C[C@H]1C)C(=O)c1ccc(nc1)-n1ncc(c1O)-c1ccc(C#N)c(F)c1C
Show InChI InChI=1S/C25H27FN6O2/c1-15(2)31-10-9-30(14-16(31)3)24(33)19-6-8-22(28-12-19)32-25(34)21(13-29-32)20-7-5-18(11-27)23(26)17(20)4/h5-8,12-13,15-16,34H,9-10,14H2,1-4H3/t16-/m1/s1
PDB

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n/an/a 4.37n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The IC50 values for the PHD2 enzyme (residues 181-417) were determined by mixing increasing amounts of inhibitor with a fixed amount of enzyme (5 nM,...


US Patent US10407409 (2019)


BindingDB Entry DOI: 10.7270/Q2D79DR0
More data for this
Ligand-Target Pair
Egl nine homolog 1 (PHD2)


(Homo sapiens (Human))
BDBM413317
PNG
(6-(4-(4-cyanophenyl)-5-hydroxy-1H-pyrazol-1-yl)-N-...)
Show SMILES COCCC1(CCCC1)NC(=O)c1ccc(nc1)-n1ncc(c1O)-c1ccc(cc1)C#N
Show InChI InChI=1S/C24H25N5O3/c1-32-13-12-24(10-2-3-11-24)28-22(30)19-8-9-21(26-15-19)29-23(31)20(16-27-29)18-6-4-17(14-25)5-7-18/h4-9,15-16,31H,2-3,10-13H2,1H3,(H,28,30)
PDB

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n/an/a 4.37n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The IC50 values for the PHD2 enzyme (residues 181-417) were determined by mixing increasing amounts of inhibitor with a fixed amount of enzyme (5 nM,...


US Patent US10407409 (2019)


BindingDB Entry DOI: 10.7270/Q2D79DR0
More data for this
Ligand-Target Pair
Egl nine homolog 1 (PHD2)


(Homo sapiens (Human))
BDBM413263
PNG
(4-(1-(5-(3-(dimethylamino)azetidine-1-carbonyl)pyr...)
Show SMILES CN(C)C1CN(C1)C(=O)c1ccc(nc1)-n1ncc(c1O)-c1ccc(cc1C)C#N
Show InChI InChI=1S/C22H22N6O2/c1-14-8-15(9-23)4-6-18(14)19-11-25-28(22(19)30)20-7-5-16(10-24-20)21(29)27-12-17(13-27)26(2)3/h4-8,10-11,17,30H,12-13H2,1-3H3
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n/an/a 4.47n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The IC50 values for the PHD2 enzyme (residues 181-417) were determined by mixing increasing amounts of inhibitor with a fixed amount of enzyme (5 nM,...


US Patent US10407409 (2019)


BindingDB Entry DOI: 10.7270/Q2D79DR0
More data for this
Ligand-Target Pair
Egl nine homolog 1 (PHD2)


(Homo sapiens (Human))
BDBM413105
PNG
((S)-4-(1-(5-(3-(dimethylamino)pyrrolidine-1-carbon...)
Show SMILES CN(C)[C@H]1CCN(C1)C(=O)c1ccc(nc1)-n1ncc(c1O)-c1ccc(C#N)c(F)c1C
Show InChI InChI=1S/C23H23FN6O2/c1-14-18(6-4-15(10-25)21(14)24)19-12-27-30(23(19)32)20-7-5-16(11-26-20)22(31)29-9-8-17(13-29)28(2)3/h4-7,11-12,17,32H,8-9,13H2,1-3H3/t17-/m0/s1
PDB

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US Patent
n/an/a 4.47n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The IC50 values for the PHD2 enzyme (residues 181-417) were determined by mixing increasing amounts of inhibitor with a fixed amount of enzyme (5 nM,...


US Patent US10407409 (2019)


BindingDB Entry DOI: 10.7270/Q2D79DR0
More data for this
Ligand-Target Pair
Egl nine homolog 1 (PHD2)


(Homo sapiens (Human))
BDBM413175
PNG
((R)-4-(1-(5-(4-ethyl-2-methylpiperazine-1-carbonyl...)
Show SMILES CCN1CCN([C@H](C)C1)C(=O)c1ccc(nc1)-n1ncc(c1O)-c1ccc(C#N)c(F)c1C
Show InChI InChI=1S/C24H25FN6O2/c1-4-29-9-10-30(15(2)14-29)23(32)18-6-8-21(27-12-18)31-24(33)20(13-28-31)19-7-5-17(11-26)22(25)16(19)3/h5-8,12-13,15,33H,4,9-10,14H2,1-3H3/t15-/m1/s1
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n/an/a 4.57n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The IC50 values for the PHD2 enzyme (residues 181-417) were determined by mixing increasing amounts of inhibitor with a fixed amount of enzyme (5 nM,...


US Patent US10407409 (2019)


BindingDB Entry DOI: 10.7270/Q2D79DR0
More data for this
Ligand-Target Pair
Egl nine homolog 1 (PHD2)


(Homo sapiens (Human))
BDBM413133
PNG
(4-(1-(5-(4-cyclopropyl-1,4-diazepane-1-carbonyl)py...)
Show SMILES Cc1c(F)c(ccc1-c1cnn(c1O)-c1ccc(cn1)C(=O)N1CCCN(CC1)C1CC1)C#N
Show InChI InChI=1S/C25H25FN6O2/c1-16-20(7-3-17(13-27)23(16)26)21-15-29-32(25(21)34)22-8-4-18(14-28-22)24(33)31-10-2-9-30(11-12-31)19-5-6-19/h3-4,7-8,14-15,19,34H,2,5-6,9-12H2,1H3
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n/an/a 4.68n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The IC50 values for the PHD2 enzyme (residues 181-417) were determined by mixing increasing amounts of inhibitor with a fixed amount of enzyme (5 nM,...


US Patent US10407409 (2019)


BindingDB Entry DOI: 10.7270/Q2D79DR0
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%