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Compile Data Set for Download or QSAR

Found 83 hits with Last Name = 'watanabe' and Initial = 'e'   
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
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50244722
PNG
(CHEMBL4075976)
PDB

UniProtKB/SwissProt

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0.407n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 61: 2384-2409 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01647
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50244729
PNG
(CHEMBL4061975)
PDB

UniProtKB/SwissProt

antibodypedia
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0.851n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 61: 2384-2409 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01647
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50244721
PNG
(CHEMBL4100398)
PDB

UniProtKB/SwissProt

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0.912n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 61: 2384-2409 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01647
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50244730
PNG
(CHEMBL4069537)
PDB

UniProtKB/SwissProt

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0.912n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 61: 2384-2409 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01647
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50233225
PNG
(CHEMBL4071864)
Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2n[nH]c(Cc3ccccc3)n2)C1=O |r|
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0.977n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 61: 2384-2409 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01647
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50244763
PNG
(CHEMBL4082215)
PDB

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1.10n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 61: 2384-2409 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01647
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50244765
PNG
(CHEMBL4084681)
PDB

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1.10n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 61: 2384-2409 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01647
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50244679
PNG
(CHEMBL4090975)
PDB

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1.70n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 61: 2384-2409 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01647
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50244761
PNG
(CHEMBL4075705)
PDB

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1.80n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 61: 2384-2409 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01647
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM15003
PNG
(3-(4-{4-aminofuro[2,3-d]pyrimidin-5-yl}phenyl)-1-[...)
Show SMILES Nc1ncnc2occ(-c3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C20H13F4N5O2/c21-14-6-3-11(20(22,23)24)7-15(14)29-19(30)28-12-4-1-10(2-5-12)13-8-31-18-16(13)17(25)26-9-27-18/h1-9H,(H2,25,26,27)(H2,28,29,30)
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2n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 61: 2384-2409 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01647
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50244728
PNG
(CHEMBL4102622)
PDB

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2.5n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 61: 2384-2409 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01647
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50244720
PNG
(CHEMBL4064701)
PDB

UniProtKB/SwissProt

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2.60n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 61: 2384-2409 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01647
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50244731
PNG
(CHEMBL4085728)
PDB

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3n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 61: 2384-2409 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01647
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50244766
PNG
(CHEMBL4073321)
PDB

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3.5n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 61: 2384-2409 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01647
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50244678
PNG
(CHEMBL4088216)
PDB

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3.90n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 61: 2384-2409 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01647
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50244710
PNG
(CHEMBL4071690)
PDB

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5.10n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 61: 2384-2409 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01647
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50244711
PNG
(CHEMBL4098708)
PDB

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7.90n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 61: 2384-2409 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01647
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50244714
PNG
(CHEMBL4060308)
PDB

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14n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 61: 2384-2409 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01647
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50244716
PNG
(CHEMBL4090065)
PDB

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34n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 61: 2384-2409 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01647
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50244717
PNG
(CHEMBL4076592)
PDB

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38n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 61: 2384-2409 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01647
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50244676
PNG
(CHEMBL4100309)
PDB

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55n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 61: 2384-2409 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01647
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50244670
PNG
(CHEMBL4077039)
PDB

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63n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 61: 2384-2409 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01647
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Mus musculus)
BDBM50244721
PNG
(CHEMBL4100398)
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81n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 61: 2384-2409 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01647
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50244677
PNG
(CHEMBL4066941)
PDB

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107n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 61: 2384-2409 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01647
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50244777
PNG
(CHEMBL4082291)
PDB

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117n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 61: 2384-2409 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01647
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50244762
PNG
(CHEMBL4063075)
PDB

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251n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 61: 2384-2409 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01647
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50244719
PNG
(CHEMBL4079755)
PDB

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4.27E+3n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 61: 2384-2409 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01647
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50244764
PNG
(CHEMBL4097778)
PDB

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6.92E+3n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 61: 2384-2409 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01647
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 |r|
Show InChI InChI=1/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-/s2
PDB
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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)
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50244721
PNG
(CHEMBL4100398)
PDB

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n/an/a 1.30n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 61: 2384-2409 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01647
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Mus musculus)
BDBM50244721
PNG
(CHEMBL4100398)
UniProtKB/SwissProt

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n/an/a 2.70n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 61: 2384-2409 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01647
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 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
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 |r|
Show InChI InChI=1/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-/s2
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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
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 |r|
Show InChI InChI=1/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-/s2
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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
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 |r|
Show InChI InChI=1/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-/s2
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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 |r|
Show InChI InChI=1/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-/s2
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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
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 |r|
Show InChI InChI=1/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-/s2
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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
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 |r|
Show InChI InChI=1/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-/s2
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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 theta type


(Homo sapiens (Human))
BDBM50166588
PNG
(CHEMBL3798011)
Show SMILES C[C@@H](N1c2cc(ccc2C(=O)NC1(C)C)-n1c2cccnc2[nH]c1=O)c1ccccc1 |r|
Show InChI InChI=1/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-/s2
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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
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 |r|
Show InChI InChI=1/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-/s2
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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
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 |r|
Show InChI InChI=1/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-/s2
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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
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 |r|
Show InChI InChI=1/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-/s2
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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 |r|
Show InChI InChI=1/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-/s2
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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))
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
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