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PubMed code 27117263

Compile data set for download or QSAR
Found 51 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
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50166588
PNG
(CHEMBL3798011)
Show SMILES C[C@@H](N1c2cc(ccc2C(=O)NC1(C)C)-n1c2cccnc2[nH]c1=O)c1ccccc1
Show InChI InChI=1S/C24H23N5O2/c1-15(16-8-5-4-6-9-16)29-20-14-17(11-12-18(20)22(30)27-24(29,2)3)28-19-10-7-13-25-21(19)26-23(28)31/h4-15H,1-3H3,(H,27,30)(H,25,26,31)/t15-/m1/s1
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n/an/a 0.25n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged PKCtheta (unknown origin) expressed in baculovirus preincubated for 5 mins using fluorescein-PKC substrate measu...


Bioorg Med Chem 24: 2466-75 (2016)


Article DOI: 10.1016/j.bmc.2016.04.008
BindingDB Entry DOI: 10.7270/Q27W6F29
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50166601
PNG
(CHEMBL3798679)
Show SMILES CC1(C)NC(=O)c2ccc(cc2N1Cc1ccccc1)-n1c2cccnc2[nH]c1=O
Show InChI InChI=1S/C23H21N5O2/c1-23(2)26-21(29)17-11-10-16(28-18-9-6-12-24-20(18)25-22(28)30)13-19(17)27(23)14-15-7-4-3-5-8-15/h3-13H,14H2,1-2H3,(H,26,29)(H,24,25,30)
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n/an/a 0.460n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged PKCtheta (unknown origin) expressed in baculovirus preincubated for 5 mins using fluorescein-PKC substrate measu...


Bioorg Med Chem 24: 2466-75 (2016)


Article DOI: 10.1016/j.bmc.2016.04.008
BindingDB Entry DOI: 10.7270/Q27W6F29
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50166602
PNG
(CHEMBL3800310)
Show SMILES CC1(C)NC(=O)c2ccc(cc2N1CC1CCCC1)-n1c2cccnc2[nH]c1=O
Show InChI InChI=1S/C22H25N5O2/c1-22(2)25-20(28)16-10-9-15(12-18(16)26(22)13-14-6-3-4-7-14)27-17-8-5-11-23-19(17)24-21(27)29/h5,8-12,14H,3-4,6-7,13H2,1-2H3,(H,25,28)(H,23,24,29)
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n/an/a 4.30n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged PKCtheta (unknown origin) expressed in baculovirus preincubated for 5 mins using fluorescein-PKC substrate measu...


Bioorg Med Chem 24: 2466-75 (2016)


Article DOI: 10.1016/j.bmc.2016.04.008
BindingDB Entry DOI: 10.7270/Q27W6F29
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50166588
PNG
(CHEMBL3798011)
Show SMILES C[C@@H](N1c2cc(ccc2C(=O)NC1(C)C)-n1c2cccnc2[nH]c1=O)c1ccccc1
Show InChI InChI=1S/C24H23N5O2/c1-15(16-8-5-4-6-9-16)29-20-14-17(11-12-18(20)22(30)27-24(29,2)3)28-19-10-7-13-25-21(19)26-23(28)31/h4-15H,1-3H3,(H,27,30)(H,25,26,31)/t15-/m1/s1
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n/an/a>10n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of CLK (unknown origin)


Bioorg Med Chem 24: 2466-75 (2016)


Article DOI: 10.1016/j.bmc.2016.04.008
BindingDB Entry DOI: 10.7270/Q27W6F29
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50166588
PNG
(CHEMBL3798011)
Show SMILES C[C@@H](N1c2cc(ccc2C(=O)NC1(C)C)-n1c2cccnc2[nH]c1=O)c1ccccc1
Show InChI InChI=1S/C24H23N5O2/c1-15(16-8-5-4-6-9-16)29-20-14-17(11-12-18(20)22(30)27-24(29,2)3)28-19-10-7-13-25-21(19)26-23(28)31/h4-15H,1-3H3,(H,27,30)(H,25,26,31)/t15-/m1/s1
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n/an/a>10n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged PKCdelta (unknown origin) expressed in baculovirus preincubated for 5 mins using fluorescein-PKC substrate measu...


Bioorg Med Chem 24: 2466-75 (2016)


Article DOI: 10.1016/j.bmc.2016.04.008
BindingDB Entry DOI: 10.7270/Q27W6F29
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50166588
PNG
(CHEMBL3798011)
Show SMILES C[C@@H](N1c2cc(ccc2C(=O)NC1(C)C)-n1c2cccnc2[nH]c1=O)c1ccccc1
Show InChI InChI=1S/C24H23N5O2/c1-15(16-8-5-4-6-9-16)29-20-14-17(11-12-18(20)22(30)27-24(29,2)3)28-19-10-7-13-25-21(19)26-23(28)31/h4-15H,1-3H3,(H,27,30)(H,25,26,31)/t15-/m1/s1
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n/an/a>10n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged GSK-3beta (unknown origin) expressed in baculovirus preincubated for 5 mins using GSK3 substrate peptide measured...


Bioorg Med Chem 24: 2466-75 (2016)


Article DOI: 10.1016/j.bmc.2016.04.008
BindingDB Entry DOI: 10.7270/Q27W6F29
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50166588
PNG
(CHEMBL3798011)
Show SMILES C[C@@H](N1c2cc(ccc2C(=O)NC1(C)C)-n1c2cccnc2[nH]c1=O)c1ccccc1
Show InChI InChI=1S/C24H23N5O2/c1-15(16-8-5-4-6-9-16)29-20-14-17(11-12-18(20)22(30)27-24(29,2)3)28-19-10-7-13-25-21(19)26-23(28)31/h4-15H,1-3H3,(H,27,30)(H,25,26,31)/t15-/m1/s1
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n/an/a>10n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged PKCalpha (unknown origin) expressed in baculovirus preincubated for 5 mins using fluorescein-PKC substrate measu...


Bioorg Med Chem 24: 2466-75 (2016)


Article DOI: 10.1016/j.bmc.2016.04.008
BindingDB Entry DOI: 10.7270/Q27W6F29
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50166588
PNG
(CHEMBL3798011)
Show SMILES C[C@@H](N1c2cc(ccc2C(=O)NC1(C)C)-n1c2cccnc2[nH]c1=O)c1ccccc1
Show InChI InChI=1S/C24H23N5O2/c1-15(16-8-5-4-6-9-16)29-20-14-17(11-12-18(20)22(30)27-24(29,2)3)28-19-10-7-13-25-21(19)26-23(28)31/h4-15H,1-3H3,(H,27,30)(H,25,26,31)/t15-/m1/s1
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n/an/a>10n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged PKCbeta (unknown origin) expressed in baculovirus preincubated for 5 mins using fluorescein-PKC substrate measur...


Bioorg Med Chem 24: 2466-75 (2016)


Article DOI: 10.1016/j.bmc.2016.04.008
BindingDB Entry DOI: 10.7270/Q27W6F29
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50166588
PNG
(CHEMBL3798011)
Show SMILES C[C@@H](N1c2cc(ccc2C(=O)NC1(C)C)-n1c2cccnc2[nH]c1=O)c1ccccc1
Show InChI InChI=1S/C24H23N5O2/c1-15(16-8-5-4-6-9-16)29-20-14-17(11-12-18(20)22(30)27-24(29,2)3)28-19-10-7-13-25-21(19)26-23(28)31/h4-15H,1-3H3,(H,27,30)(H,25,26,31)/t15-/m1/s1
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n/an/a>10n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human TrkA expressed in baculovirus preincubated for 5 mins measured after 10 mins in presence of ATP by AlphaScr...


Bioorg Med Chem 24: 2466-75 (2016)


Article DOI: 10.1016/j.bmc.2016.04.008
BindingDB Entry DOI: 10.7270/Q27W6F29
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50166588
PNG
(CHEMBL3798011)
Show SMILES C[C@@H](N1c2cc(ccc2C(=O)NC1(C)C)-n1c2cccnc2[nH]c1=O)c1ccccc1
Show InChI InChI=1S/C24H23N5O2/c1-15(16-8-5-4-6-9-16)29-20-14-17(11-12-18(20)22(30)27-24(29,2)3)28-19-10-7-13-25-21(19)26-23(28)31/h4-15H,1-3H3,(H,27,30)(H,25,26,31)/t15-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of PKCtheta in human Jurkat cells after overnight incubation by luminescence analysis


Bioorg Med Chem 24: 2466-75 (2016)


Article DOI: 10.1016/j.bmc.2016.04.008
BindingDB Entry DOI: 10.7270/Q27W6F29
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50163919
PNG
(CHEMBL3798266)
Show SMILES CC1(C)NC(=O)c2ccc(cc2N1c1ccccc1)-n1c2cccnc2[nH]c1=O
Show InChI InChI=1S/C22H19N5O2/c1-22(2)25-20(28)16-11-10-15(13-18(16)27(22)14-7-4-3-5-8-14)26-17-9-6-12-23-19(17)24-21(26)29/h3-13H,1-2H3,(H,25,28)(H,23,24,29)
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n/an/a 12n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged PKCtheta (unknown origin) expressed in baculovirus preincubated for 5 mins using fluorescein-PKC substrate measu...


Bioorg Med Chem 24: 2466-75 (2016)


Article DOI: 10.1016/j.bmc.2016.04.008
BindingDB Entry DOI: 10.7270/Q27W6F29
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50166601
PNG
(CHEMBL3798679)
Show SMILES CC1(C)NC(=O)c2ccc(cc2N1Cc1ccccc1)-n1c2cccnc2[nH]c1=O
Show InChI InChI=1S/C23H21N5O2/c1-23(2)26-21(29)17-11-10-16(28-18-9-6-12-24-20(18)25-22(28)30)13-19(17)27(23)14-15-7-4-3-5-8-15/h3-13H,14H2,1-2H3,(H,26,29)(H,24,25,30)
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n/an/a 16n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of PKCtheta in human Jurkat cells after overnight incubation by luminescence analysis


Bioorg Med Chem 24: 2466-75 (2016)


Article DOI: 10.1016/j.bmc.2016.04.008
BindingDB Entry DOI: 10.7270/Q27W6F29
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50164188
PNG
(CHEMBL3799399)
Show SMILES CC(C)CN1c2cc(ccc2C(=O)NC1(C)C)-n1c2cccnc2[nH]c1=O
Show InChI InChI=1S/C20H23N5O2/c1-12(2)11-24-16-10-13(7-8-14(16)18(26)23-20(24,3)4)25-15-6-5-9-21-17(15)22-19(25)27/h5-10,12H,11H2,1-4H3,(H,23,26)(H,21,22,27)
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n/an/a 45n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged PKCtheta (unknown origin) expressed in baculovirus preincubated for 5 mins using fluorescein-PKC substrate measu...


Bioorg Med Chem 24: 2466-75 (2016)


Article DOI: 10.1016/j.bmc.2016.04.008
BindingDB Entry DOI: 10.7270/Q27W6F29
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50164176
PNG
(CHEMBL3798713)
Show SMILES CCN1c2cc(ccc2C(=O)NC1(C)C)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C19H20N4O/c1-4-23-16-10-12(7-8-14(16)18(24)22-19(23,2)3)15-11-21-17-13(15)6-5-9-20-17/h5-11H,4H2,1-3H3,(H,20,21)(H,22,24)
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n/an/a 60n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged PKCtheta (unknown origin) expressed in baculovirus preincubated for 5 mins using fluorescein-PKC substrate measu...


Bioorg Med Chem 24: 2466-75 (2016)


Article DOI: 10.1016/j.bmc.2016.04.008
BindingDB Entry DOI: 10.7270/Q27W6F29
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50166588
PNG
(CHEMBL3798011)
Show SMILES C[C@@H](N1c2cc(ccc2C(=O)NC1(C)C)-n1c2cccnc2[nH]c1=O)c1ccccc1
Show InChI InChI=1S/C24H23N5O2/c1-15(16-8-5-4-6-9-16)29-20-14-17(11-12-18(20)22(30)27-24(29,2)3)28-19-10-7-13-25-21(19)26-23(28)31/h4-15H,1-3H3,(H,27,30)(H,25,26,31)/t15-/m1/s1
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n/an/a>100n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of full length N-terminal His-tagged recombinant human SRC preincubated for 5 mins measured after 10 mins in presence of ATP by AlphaScree...


Bioorg Med Chem 24: 2466-75 (2016)


Article DOI: 10.1016/j.bmc.2016.04.008
BindingDB Entry DOI: 10.7270/Q27W6F29
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50166599
PNG
(CHEMBL3800082)
Show SMILES C[C@H](N1c2cc(ccc2C(=O)NC1(C)C)-n1c2cccnc2[nH]c1=O)c1ccccc1
Show InChI InChI=1S/C24H23N5O2/c1-15(16-8-5-4-6-9-16)29-20-14-17(11-12-18(20)22(30)27-24(29,2)3)28-19-10-7-13-25-21(19)26-23(28)31/h4-15H,1-3H3,(H,27,30)(H,25,26,31)/t15-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged PKCtheta (unknown origin) expressed in baculovirus preincubated for 5 mins using fluorescein-PKC substrate measu...


Bioorg Med Chem 24: 2466-75 (2016)


Article DOI: 10.1016/j.bmc.2016.04.008
BindingDB Entry DOI: 10.7270/Q27W6F29
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50166588
PNG
(CHEMBL3798011)
Show SMILES C[C@@H](N1c2cc(ccc2C(=O)NC1(C)C)-n1c2cccnc2[nH]c1=O)c1ccccc1
Show InChI InChI=1S/C24H23N5O2/c1-15(16-8-5-4-6-9-16)29-20-14-17(11-12-18(20)22(30)27-24(29,2)3)28-19-10-7-13-25-21(19)26-23(28)31/h4-15H,1-3H3,(H,27,30)(H,25,26,31)/t15-/m1/s1
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n/an/a>100n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged recombinant human c-Met preincubated for 5 mins measured after 10 mins in presence of ATP by AlphaScreen assay


Bioorg Med Chem 24: 2466-75 (2016)


Article DOI: 10.1016/j.bmc.2016.04.008
BindingDB Entry DOI: 10.7270/Q27W6F29
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50166588
PNG
(CHEMBL3798011)
Show SMILES C[C@@H](N1c2cc(ccc2C(=O)NC1(C)C)-n1c2cccnc2[nH]c1=O)c1ccccc1
Show InChI InChI=1S/C24H23N5O2/c1-15(16-8-5-4-6-9-16)29-20-14-17(11-12-18(20)22(30)27-24(29,2)3)28-19-10-7-13-25-21(19)26-23(28)31/h4-15H,1-3H3,(H,27,30)(H,25,26,31)/t15-/m1/s1
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n/an/a>100n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged FAK cytoplasmic domain (unknown origin) expressed in baculovirus preincubated for 5 mins measured after 20 mins ...


Bioorg Med Chem 24: 2466-75 (2016)


Article DOI: 10.1016/j.bmc.2016.04.008
BindingDB Entry DOI: 10.7270/Q27W6F29
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50164291
PNG
(CHEMBL3798849)
Show SMILES CC1(C)NC(=O)c2ccc(cc2N1Cc1cccnc1)-n1c2cccnc2[nH]c1=O
Show InChI InChI=1S/C22H20N6O2/c1-22(2)26-20(29)16-8-7-15(28-17-6-4-10-24-19(17)25-21(28)30)11-18(16)27(22)13-14-5-3-9-23-12-14/h3-12H,13H2,1-2H3,(H,26,29)(H,24,25,30)
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n/an/a 150n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged PKCtheta (unknown origin) expressed in baculovirus preincubated for 5 mins using fluorescein-PKC substrate measu...


Bioorg Med Chem 24: 2466-75 (2016)


Article DOI: 10.1016/j.bmc.2016.04.008
BindingDB Entry DOI: 10.7270/Q27W6F29
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50164191
PNG
(CHEMBL3798787)
Show SMILES CC1(C)NC(=O)c2ccc(cc2N1CC1CC1)-n1c2cccnc2[nH]c1=O
Show InChI InChI=1S/C20H21N5O2/c1-20(2)23-18(26)14-8-7-13(10-16(14)24(20)11-12-5-6-12)25-15-4-3-9-21-17(15)22-19(25)27/h3-4,7-10,12H,5-6,11H2,1-2H3,(H,23,26)(H,21,22,27)
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n/an/a 170n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged PKCtheta (unknown origin) expressed in baculovirus preincubated for 5 mins using fluorescein-PKC substrate measu...


Bioorg Med Chem 24: 2466-75 (2016)


Article DOI: 10.1016/j.bmc.2016.04.008
BindingDB Entry DOI: 10.7270/Q27W6F29
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50166602
PNG
(CHEMBL3800310)
Show SMILES CC1(C)NC(=O)c2ccc(cc2N1CC1CCCC1)-n1c2cccnc2[nH]c1=O
Show InChI InChI=1S/C22H25N5O2/c1-22(2)25-20(28)16-10-9-15(12-18(16)26(22)13-14-6-3-4-7-14)27-17-8-5-11-23-19(17)24-21(27)29/h5,8-12,14H,3-4,6-7,13H2,1-2H3,(H,25,28)(H,23,24,29)
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n/an/a 170n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of PKCtheta in human Jurkat cells after overnight incubation by luminescence analysis


Bioorg Med Chem 24: 2466-75 (2016)


Article DOI: 10.1016/j.bmc.2016.04.008
BindingDB Entry DOI: 10.7270/Q27W6F29
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50166600
PNG
(CHEMBL3799887)
Show SMILES CCN1c2cc(ccc2C(=O)NC1(C)C)-c1c[nH]nc1C
Show InChI InChI=1S/C16H20N4O/c1-5-20-14-8-11(13-9-17-19-10(13)2)6-7-12(14)15(21)18-16(20,3)4/h6-9H,5H2,1-4H3,(H,17,19)(H,18,21)
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n/an/a 240n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged PKCtheta (unknown origin) expressed in baculovirus preincubated for 5 mins using fluorescein-PKC substrate measu...


Bioorg Med Chem 24: 2466-75 (2016)


Article DOI: 10.1016/j.bmc.2016.04.008
BindingDB Entry DOI: 10.7270/Q27W6F29
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50164166
PNG
(CHEMBL3798933)
Show SMILES CCN1c2cc(ccc2C(=O)NC1(C)C)-n1c2cccnc2[nH]c1=O
Show InChI InChI=1S/C18H19N5O2/c1-4-22-14-10-11(7-8-12(14)16(24)21-18(22,2)3)23-13-6-5-9-19-15(13)20-17(23)25/h5-10H,4H2,1-3H3,(H,21,24)(H,19,20,25)
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n/an/a 260n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged PKCtheta (unknown origin) expressed in baculovirus preincubated for 5 mins using fluorescein-PKC substrate measu...


Bioorg Med Chem 24: 2466-75 (2016)


Article DOI: 10.1016/j.bmc.2016.04.008
BindingDB Entry DOI: 10.7270/Q27W6F29
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50164293
PNG
(CHEMBL3800116)
Show SMILES CC1(C)NC(=O)c2ccc(cc2N1CCc1ccccc1)-n1c2cccnc2[nH]c1=O
Show InChI InChI=1S/C24H23N5O2/c1-24(2)27-22(30)18-11-10-17(29-19-9-6-13-25-21(19)26-23(29)31)15-20(18)28(24)14-12-16-7-4-3-5-8-16/h3-11,13,15H,12,14H2,1-2H3,(H,27,30)(H,25,26,31)
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n/an/a 300n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged PKCtheta (unknown origin) expressed in baculovirus preincubated for 5 mins using fluorescein-PKC substrate measu...


Bioorg Med Chem 24: 2466-75 (2016)


Article DOI: 10.1016/j.bmc.2016.04.008
BindingDB Entry DOI: 10.7270/Q27W6F29
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50164292
PNG
(CHEMBL3798888)
Show SMILES CCN1c2cc(ccc2C(=O)NC1(C)C)-c1cn[nH]c1
Show InChI InChI=1S/C15H18N4O/c1-4-19-13-7-10(11-8-16-17-9-11)5-6-12(13)14(20)18-15(19,2)3/h5-9H,4H2,1-3H3,(H,16,17)(H,18,20)
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n/an/a 930n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged PKCtheta (unknown origin) expressed in baculovirus preincubated for 5 mins using fluorescein-PKC substrate measu...


Bioorg Med Chem 24: 2466-75 (2016)


Article DOI: 10.1016/j.bmc.2016.04.008
BindingDB Entry DOI: 10.7270/Q27W6F29
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50164166
PNG
(CHEMBL3798933)
Show SMILES CCN1c2cc(ccc2C(=O)NC1(C)C)-n1c2cccnc2[nH]c1=O
Show InChI InChI=1S/C18H19N5O2/c1-4-22-14-10-11(7-8-12(14)16(24)21-18(22,2)3)23-13-6-5-9-19-15(13)20-17(23)25/h5-10H,4H2,1-3H3,(H,21,24)(H,19,20,25)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of PKCtheta in human Jurkat cells after overnight incubation by luminescence analysis


Bioorg Med Chem 24: 2466-75 (2016)


Article DOI: 10.1016/j.bmc.2016.04.008
BindingDB Entry DOI: 10.7270/Q27W6F29
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50166588
PNG
(CHEMBL3798011)
Show SMILES C[C@@H](N1c2cc(ccc2C(=O)NC1(C)C)-n1c2cccnc2[nH]c1=O)c1ccccc1
Show InChI InChI=1S/C24H23N5O2/c1-15(16-8-5-4-6-9-16)29-20-14-17(11-12-18(20)22(30)27-24(29,2)3)28-19-10-7-13-25-21(19)26-23(28)31/h4-15H,1-3H3,(H,27,30)(H,25,26,31)/t15-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of IRK (unknown origin) preincubated for 5 mins measured after 60 mins in presence of ATP by AlphaScreen assay


Bioorg Med Chem 24: 2466-75 (2016)


Article DOI: 10.1016/j.bmc.2016.04.008
BindingDB Entry DOI: 10.7270/Q27W6F29
More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(Homo sapiens (Human))
BDBM50166588
PNG
(CHEMBL3798011)
Show SMILES C[C@@H](N1c2cc(ccc2C(=O)NC1(C)C)-n1c2cccnc2[nH]c1=O)c1ccccc1
Show InChI InChI=1S/C24H23N5O2/c1-15(16-8-5-4-6-9-16)29-20-14-17(11-12-18(20)22(30)27-24(29,2)3)28-19-10-7-13-25-21(19)26-23(28)31/h4-15H,1-3H3,(H,27,30)(H,25,26,31)/t15-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged PKCzeta (unknown origin) expressed in baculovirus preincubated for 5 mins using fluorescein-PKC substrate measur...


Bioorg Med Chem 24: 2466-75 (2016)


Article DOI: 10.1016/j.bmc.2016.04.008
BindingDB Entry DOI: 10.7270/Q27W6F29
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50166588
PNG
(CHEMBL3798011)
Show SMILES C[C@@H](N1c2cc(ccc2C(=O)NC1(C)C)-n1c2cccnc2[nH]c1=O)c1ccccc1
Show InChI InChI=1S/C24H23N5O2/c1-15(16-8-5-4-6-9-16)29-20-14-17(11-12-18(20)22(30)27-24(29,2)3)28-19-10-7-13-25-21(19)26-23(28)31/h4-15H,1-3H3,(H,27,30)(H,25,26,31)/t15-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human JAK1 expressed in baculovirus preincubated for 5 mins measured after 10 mins in presence of ATP by AlphaScr...


Bioorg Med Chem 24: 2466-75 (2016)


Article DOI: 10.1016/j.bmc.2016.04.008
BindingDB Entry DOI: 10.7270/Q27W6F29
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50166588
PNG
(CHEMBL3798011)
Show SMILES C[C@@H](N1c2cc(ccc2C(=O)NC1(C)C)-n1c2cccnc2[nH]c1=O)c1ccccc1
Show InChI InChI=1S/C24H23N5O2/c1-15(16-8-5-4-6-9-16)29-20-14-17(11-12-18(20)22(30)27-24(29,2)3)28-19-10-7-13-25-21(19)26-23(28)31/h4-15H,1-3H3,(H,27,30)(H,25,26,31)/t15-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human EGFR preincubated for 5 mins measured after 10 mins in presence of ATP by AlphaScreen assay


Bioorg Med Chem 24: 2466-75 (2016)


Article DOI: 10.1016/j.bmc.2016.04.008
BindingDB Entry DOI: 10.7270/Q27W6F29
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50166588
PNG
(CHEMBL3798011)
Show SMILES C[C@@H](N1c2cc(ccc2C(=O)NC1(C)C)-n1c2cccnc2[nH]c1=O)c1ccccc1
Show InChI InChI=1S/C24H23N5O2/c1-15(16-8-5-4-6-9-16)29-20-14-17(11-12-18(20)22(30)27-24(29,2)3)28-19-10-7-13-25-21(19)26-23(28)31/h4-15H,1-3H3,(H,27,30)(H,25,26,31)/t15-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged p38alpha (unknown origin) expressed in baculovirus preincubated for 5 mins using myelin basic protein as substra...


Bioorg Med Chem 24: 2466-75 (2016)


Article DOI: 10.1016/j.bmc.2016.04.008
BindingDB Entry DOI: 10.7270/Q27W6F29
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))
BDBM50166588
PNG
(CHEMBL3798011)
Show SMILES C[C@@H](N1c2cc(ccc2C(=O)NC1(C)C)-n1c2cccnc2[nH]c1=O)c1ccccc1
Show InChI InChI=1S/C24H23N5O2/c1-15(16-8-5-4-6-9-16)29-20-14-17(11-12-18(20)22(30)27-24(29,2)3)28-19-10-7-13-25-21(19)26-23(28)31/h4-15H,1-3H3,(H,27,30)(H,25,26,31)/t15-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged ASK1 (unknown origin) expressed in baculovirus preincubated for 5 mins using myelin basic protein as substrate m...


Bioorg Med Chem 24: 2466-75 (2016)


Article DOI: 10.1016/j.bmc.2016.04.008
BindingDB Entry DOI: 10.7270/Q27W6F29
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50166588
PNG
(CHEMBL3798011)
Show SMILES C[C@@H](N1c2cc(ccc2C(=O)NC1(C)C)-n1c2cccnc2[nH]c1=O)c1ccccc1
Show InChI InChI=1S/C24H23N5O2/c1-15(16-8-5-4-6-9-16)29-20-14-17(11-12-18(20)22(30)27-24(29,2)3)28-19-10-7-13-25-21(19)26-23(28)31/h4-15H,1-3H3,(H,27,30)(H,25,26,31)/t15-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged CHK1 (unknown origin) expressed in baculovirus preincubated for 5 mins using CHKtide as substrate measured after ...


Bioorg Med Chem 24: 2466-75 (2016)


Article DOI: 10.1016/j.bmc.2016.04.008
BindingDB Entry DOI: 10.7270/Q27W6F29
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM50166588
PNG
(CHEMBL3798011)
Show SMILES C[C@@H](N1c2cc(ccc2C(=O)NC1(C)C)-n1c2cccnc2[nH]c1=O)c1ccccc1
Show InChI InChI=1S/C24H23N5O2/c1-15(16-8-5-4-6-9-16)29-20-14-17(11-12-18(20)22(30)27-24(29,2)3)28-19-10-7-13-25-21(19)26-23(28)31/h4-15H,1-3H3,(H,27,30)(H,25,26,31)/t15-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of C-terminal 6His-tagged CDK2/N-terminal GST-tagged cyclin A (unknown origin) expressed in baculovirus preincubated for 5 mins using hist...


Bioorg Med Chem 24: 2466-75 (2016)


Article DOI: 10.1016/j.bmc.2016.04.008
BindingDB Entry DOI: 10.7270/Q27W6F29
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50166588
PNG
(CHEMBL3798011)
Show SMILES C[C@@H](N1c2cc(ccc2C(=O)NC1(C)C)-n1c2cccnc2[nH]c1=O)c1ccccc1
Show InChI InChI=1S/C24H23N5O2/c1-15(16-8-5-4-6-9-16)29-20-14-17(11-12-18(20)22(30)27-24(29,2)3)28-19-10-7-13-25-21(19)26-23(28)31/h4-15H,1-3H3,(H,27,30)(H,25,26,31)/t15-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human ROCK1 expressed in baculovirus preincubated for 5 mins using long S6 peptide as substrate measured after 10...


Bioorg Med Chem 24: 2466-75 (2016)


Article DOI: 10.1016/j.bmc.2016.04.008
BindingDB Entry DOI: 10.7270/Q27W6F29
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50166588
PNG
(CHEMBL3798011)
Show SMILES C[C@@H](N1c2cc(ccc2C(=O)NC1(C)C)-n1c2cccnc2[nH]c1=O)c1ccccc1
Show InChI InChI=1S/C24H23N5O2/c1-15(16-8-5-4-6-9-16)29-20-14-17(11-12-18(20)22(30)27-24(29,2)3)28-19-10-7-13-25-21(19)26-23(28)31/h4-15H,1-3H3,(H,27,30)(H,25,26,31)/t15-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human IRAK4 expressed in baculovirus preincubated for 5 mins using myelin basic protein as substrate measured aft...


Bioorg Med Chem 24: 2466-75 (2016)


Article DOI: 10.1016/j.bmc.2016.04.008
BindingDB Entry DOI: 10.7270/Q27W6F29
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50166588
PNG
(CHEMBL3798011)
Show SMILES C[C@@H](N1c2cc(ccc2C(=O)NC1(C)C)-n1c2cccnc2[nH]c1=O)c1ccccc1
Show InChI InChI=1S/C24H23N5O2/c1-15(16-8-5-4-6-9-16)29-20-14-17(11-12-18(20)22(30)27-24(29,2)3)28-19-10-7-13-25-21(19)26-23(28)31/h4-15H,1-3H3,(H,27,30)(H,25,26,31)/t15-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged VEGFR2 cytoplasmic domain (unknown origin) expressed in baculovirus preincubated for 5 mins measured after 10 mi...


Bioorg Med Chem 24: 2466-75 (2016)


Article DOI: 10.1016/j.bmc.2016.04.008
BindingDB Entry DOI: 10.7270/Q27W6F29
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50166588
PNG
(CHEMBL3798011)
Show SMILES C[C@@H](N1c2cc(ccc2C(=O)NC1(C)C)-n1c2cccnc2[nH]c1=O)c1ccccc1
Show InChI InChI=1S/C24H23N5O2/c1-15(16-8-5-4-6-9-16)29-20-14-17(11-12-18(20)22(30)27-24(29,2)3)28-19-10-7-13-25-21(19)26-23(28)31/h4-15H,1-3H3,(H,27,30)(H,25,26,31)/t15-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin)


Bioorg Med Chem 24: 2466-75 (2016)


Article DOI: 10.1016/j.bmc.2016.04.008
BindingDB Entry DOI: 10.7270/Q27W6F29
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50166588
PNG
(CHEMBL3798011)
Show SMILES C[C@@H](N1c2cc(ccc2C(=O)NC1(C)C)-n1c2cccnc2[nH]c1=O)c1ccccc1
Show InChI InChI=1S/C24H23N5O2/c1-15(16-8-5-4-6-9-16)29-20-14-17(11-12-18(20)22(30)27-24(29,2)3)28-19-10-7-13-25-21(19)26-23(28)31/h4-15H,1-3H3,(H,27,30)(H,25,26,31)/t15-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His-tagged Aurora-B (unknown origin) preincubated for 5 mins using Aurora substrate peptide as substrate measured after 60 ...


Bioorg Med Chem 24: 2466-75 (2016)


Article DOI: 10.1016/j.bmc.2016.04.008
BindingDB Entry DOI: 10.7270/Q27W6F29
More data for this
Ligand-Target Pair
Ephrin receptor


(Homo sapiens (Human))
BDBM50166588
PNG
(CHEMBL3798011)
Show SMILES C[C@@H](N1c2cc(ccc2C(=O)NC1(C)C)-n1c2cccnc2[nH]c1=O)c1ccccc1
Show InChI InChI=1S/C24H23N5O2/c1-15(16-8-5-4-6-9-16)29-20-14-17(11-12-18(20)22(30)27-24(29,2)3)28-19-10-7-13-25-21(19)26-23(28)31/h4-15H,1-3H3,(H,27,30)(H,25,26,31)/t15-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human EphA5 catalytic domain expressed in baculovirus preincubated for 5 mins measured after 10 mins in presence ...


Bioorg Med Chem 24: 2466-75 (2016)


Article DOI: 10.1016/j.bmc.2016.04.008
BindingDB Entry DOI: 10.7270/Q27W6F29
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50166588
PNG
(CHEMBL3798011)
Show SMILES C[C@@H](N1c2cc(ccc2C(=O)NC1(C)C)-n1c2cccnc2[nH]c1=O)c1ccccc1
Show InChI InChI=1S/C24H23N5O2/c1-15(16-8-5-4-6-9-16)29-20-14-17(11-12-18(20)22(30)27-24(29,2)3)28-19-10-7-13-25-21(19)26-23(28)31/h4-15H,1-3H3,(H,27,30)(H,25,26,31)/t15-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged MAPKAPK2 (unknown origin) expressed in baculovirus preincubated for 5 mins using KKLNRTLSVA-NH2 as substrate mea...


Bioorg Med Chem 24: 2466-75 (2016)


Article DOI: 10.1016/j.bmc.2016.04.008
BindingDB Entry DOI: 10.7270/Q27W6F29
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50166588
PNG
(CHEMBL3798011)
Show SMILES C[C@@H](N1c2cc(ccc2C(=O)NC1(C)C)-n1c2cccnc2[nH]c1=O)c1ccccc1
Show InChI InChI=1S/C24H23N5O2/c1-15(16-8-5-4-6-9-16)29-20-14-17(11-12-18(20)22(30)27-24(29,2)3)28-19-10-7-13-25-21(19)26-23(28)31/h4-15H,1-3H3,(H,27,30)(H,25,26,31)/t15-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged MEK1 (unknown origin) expressed in freestyle293 system preincubated for 5 mins using GST-tagged ERK1 K71A as subs...


Bioorg Med Chem 24: 2466-75 (2016)


Article DOI: 10.1016/j.bmc.2016.04.008
BindingDB Entry DOI: 10.7270/Q27W6F29
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50164293
PNG
(CHEMBL3800116)
Show SMILES CC1(C)NC(=O)c2ccc(cc2N1CCc1ccccc1)-n1c2cccnc2[nH]c1=O
Show InChI InChI=1S/C24H23N5O2/c1-24(2)27-22(30)18-11-10-17(29-19-9-6-13-25-21(19)26-23(29)31)15-20(18)28(24)14-12-16-7-4-3-5-8-16/h3-11,13,15H,12,14H2,1-2H3,(H,27,30)(H,25,26,31)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of PKCtheta in human Jurkat cells after overnight incubation by luminescence analysis


Bioorg Med Chem 24: 2466-75 (2016)


Article DOI: 10.1016/j.bmc.2016.04.008
BindingDB Entry DOI: 10.7270/Q27W6F29
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50166588
PNG
(CHEMBL3798011)
Show SMILES C[C@@H](N1c2cc(ccc2C(=O)NC1(C)C)-n1c2cccnc2[nH]c1=O)c1ccccc1
Show InChI InChI=1S/C24H23N5O2/c1-15(16-8-5-4-6-9-16)29-20-14-17(11-12-18(20)22(30)27-24(29,2)3)28-19-10-7-13-25-21(19)26-23(28)31/h4-15H,1-3H3,(H,27,30)(H,25,26,31)/t15-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged ERK1 (unknown origin) expressed in baculovirus preincubated for 5 mins using myelin basic protein as substrate m...


Bioorg Med Chem 24: 2466-75 (2016)


Article DOI: 10.1016/j.bmc.2016.04.008
BindingDB Entry DOI: 10.7270/Q27W6F29
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50164191
PNG
(CHEMBL3798787)
Show SMILES CC1(C)NC(=O)c2ccc(cc2N1CC1CC1)-n1c2cccnc2[nH]c1=O
Show InChI InChI=1S/C20H21N5O2/c1-20(2)23-18(26)14-8-7-13(10-16(14)24(20)11-12-5-6-12)25-15-4-3-9-21-17(15)22-19(25)27/h3-4,7-10,12H,5-6,11H2,1-2H3,(H,23,26)(H,21,22,27)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of PKCtheta in human Jurkat cells after overnight incubation by luminescence analysis


Bioorg Med Chem 24: 2466-75 (2016)


Article DOI: 10.1016/j.bmc.2016.04.008
BindingDB Entry DOI: 10.7270/Q27W6F29
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50166588
PNG
(CHEMBL3798011)
Show SMILES C[C@@H](N1c2cc(ccc2C(=O)NC1(C)C)-n1c2cccnc2[nH]c1=O)c1ccccc1
Show InChI InChI=1S/C24H23N5O2/c1-15(16-8-5-4-6-9-16)29-20-14-17(11-12-18(20)22(30)27-24(29,2)3)28-19-10-7-13-25-21(19)26-23(28)31/h4-15H,1-3H3,(H,27,30)(H,25,26,31)/t15-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His-tagged PI3Kalpha (unknown origin) co-expressed with p85alpha in baculovirus using L-alpha-phosphatidyl-D-myo-inositol 4...


Bioorg Med Chem 24: 2466-75 (2016)


Article DOI: 10.1016/j.bmc.2016.04.008
BindingDB Entry DOI: 10.7270/Q27W6F29
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50166588
PNG
(CHEMBL3798011)
Show SMILES C[C@@H](N1c2cc(ccc2C(=O)NC1(C)C)-n1c2cccnc2[nH]c1=O)c1ccccc1
Show InChI InChI=1S/C24H23N5O2/c1-15(16-8-5-4-6-9-16)29-20-14-17(11-12-18(20)22(30)27-24(29,2)3)28-19-10-7-13-25-21(19)26-23(28)31/h4-15H,1-3H3,(H,27,30)(H,25,26,31)/t15-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged PLK1 (unknown origin) expressed in baculovirus preincubated for 5 mins using alpha-casein as substrate measured ...


Bioorg Med Chem 24: 2466-75 (2016)


Article DOI: 10.1016/j.bmc.2016.04.008
BindingDB Entry DOI: 10.7270/Q27W6F29
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM50166588
PNG
(CHEMBL3798011)
Show SMILES C[C@@H](N1c2cc(ccc2C(=O)NC1(C)C)-n1c2cccnc2[nH]c1=O)c1ccccc1
Show InChI InChI=1S/C24H23N5O2/c1-15(16-8-5-4-6-9-16)29-20-14-17(11-12-18(20)22(30)27-24(29,2)3)28-19-10-7-13-25-21(19)26-23(28)31/h4-15H,1-3H3,(H,27,30)(H,25,26,31)/t15-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of full length human CDC7 co-expressed with N-terminal GST-tagged ASK in baculovirus preincubated for 5 mins using MCM2 as substrate measu...


Bioorg Med Chem 24: 2466-75 (2016)


Article DOI: 10.1016/j.bmc.2016.04.008
BindingDB Entry DOI: 10.7270/Q27W6F29
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50164188
PNG
(CHEMBL3799399)
Show SMILES CC(C)CN1c2cc(ccc2C(=O)NC1(C)C)-n1c2cccnc2[nH]c1=O
Show InChI InChI=1S/C20H23N5O2/c1-12(2)11-24-16-10-13(7-8-14(16)18(26)23-20(24,3)4)25-15-6-5-9-21-17(15)22-19(25)27/h5-10,12H,11H2,1-4H3,(H,23,26)(H,21,22,27)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of PKCtheta in human Jurkat cells after overnight incubation by luminescence analysis


Bioorg Med Chem 24: 2466-75 (2016)


Article DOI: 10.1016/j.bmc.2016.04.008
BindingDB Entry DOI: 10.7270/Q27W6F29
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50166588
PNG
(CHEMBL3798011)
Show SMILES C[C@@H](N1c2cc(ccc2C(=O)NC1(C)C)-n1c2cccnc2[nH]c1=O)c1ccccc1
Show InChI InChI=1S/C24H23N5O2/c1-15(16-8-5-4-6-9-16)29-20-14-17(11-12-18(20)22(30)27-24(29,2)3)28-19-10-7-13-25-21(19)26-23(28)31/h4-15H,1-3H3,(H,27,30)(H,25,26,31)/t15-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged CK1delta (unknown origin) expressed in Escherichia coli preincubated for 5 mins using CK1tide as substrate measur...


Bioorg Med Chem 24: 2466-75 (2016)


Article DOI: 10.1016/j.bmc.2016.04.008
BindingDB Entry DOI: 10.7270/Q27W6F29
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50166598
PNG
(CHEMBL3799237)
Show SMILES CCN1c2cc(ccc2C(=O)NC1(C)C)-c1c(C)n[nH]c1C
Show InChI InChI=1S/C17H22N4O/c1-6-21-14-9-12(15-10(2)19-20-11(15)3)7-8-13(14)16(22)18-17(21,4)5/h7-9H,6H2,1-5H3,(H,18,22)(H,19,20)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged PKCtheta (unknown origin) expressed in baculovirus preincubated for 5 mins using fluorescein-PKC substrate measu...


Bioorg Med Chem 24: 2466-75 (2016)


Article DOI: 10.1016/j.bmc.2016.04.008
BindingDB Entry DOI: 10.7270/Q27W6F29
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%