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BDBM50173609 CHEMBL363648::N-[4-(2-Ethyl-4-m-tolyl-thiazol-5-yl)-pyridin-2-yl]-benzamide::US10865384, Compound TAK-715

SMILES: CCc1nc(c(s1)-c1ccnc(NC(=O)c2ccccc2)c1)-c1cccc(C)c1

InChI Key: InChIKey=HEKAIDKUDLCBRU-UHFFFAOYSA-N

Data: 13 IC50

PDB links: 2 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50173609   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine/threonine-protein kinase c-TAK1


(Homo sapiens (Human))
BDBM50173609
PNG
(CHEMBL363648 | N-[4-(2-Ethyl-4-m-tolyl-thiazol-5-y...)
Show SMILES CCc1nc(c(s1)-c1ccnc(NC(=O)c2ccccc2)c1)-c1cccc(C)c1
Show InChI InChI=1S/C24H21N3OS/c1-3-21-27-22(18-11-7-8-16(2)14-18)23(29-21)19-12-13-25-20(15-19)26-24(28)17-9-5-4-6-10-17/h4-15H,3H2,1-2H3,(H,25,26,28)
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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against Mitogen-activated protein kinase kinase kinase 7 (TAK1)


J Med Chem 48: 5966-79 (2005)


Article DOI: 10.1021/jm050165o
BindingDB Entry DOI: 10.7270/Q2G160DZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(Homo sapiens (Human))
BDBM50173609
PNG
(CHEMBL363648 | N-[4-(2-Ethyl-4-m-tolyl-thiazol-5-y...)
Show SMILES CCc1nc(c(s1)-c1ccnc(NC(=O)c2ccccc2)c1)-c1cccc(C)c1
Show InChI InChI=1S/C24H21N3OS/c1-3-21-27-22(18-11-7-8-16(2)14-18)23(29-21)19-12-13-25-20(15-19)26-24(28)17-9-5-4-6-10-17/h4-15H,3H2,1-2H3,(H,25,26,28)
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n/an/a 200n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against mitogen-activated protein kinase p38-beta


J Med Chem 48: 5966-79 (2005)


Article DOI: 10.1021/jm050165o
BindingDB Entry DOI: 10.7270/Q2G160DZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50173609
PNG
(CHEMBL363648 | N-[4-(2-Ethyl-4-m-tolyl-thiazol-5-y...)
Show SMILES CCc1nc(c(s1)-c1ccnc(NC(=O)c2ccccc2)c1)-c1cccc(C)c1
Show InChI InChI=1S/C24H21N3OS/c1-3-21-27-22(18-11-7-8-16(2)14-18)23(29-21)19-12-13-25-20(15-19)26-24(28)17-9-5-4-6-10-17/h4-15H,3H2,1-2H3,(H,25,26,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against c-Jun N-terminal kinase 1


J Med Chem 48: 5966-79 (2005)


Article DOI: 10.1021/jm050165o
BindingDB Entry DOI: 10.7270/Q2G160DZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 1


(Homo sapiens (Human))
BDBM50173609
PNG
(CHEMBL363648 | N-[4-(2-Ethyl-4-m-tolyl-thiazol-5-y...)
Show SMILES CCc1nc(c(s1)-c1ccnc(NC(=O)c2ccccc2)c1)-c1cccc(C)c1
Show InChI InChI=1S/C24H21N3OS/c1-3-21-27-22(18-11-7-8-16(2)14-18)23(29-21)19-12-13-25-20(15-19)26-24(28)17-9-5-4-6-10-17/h4-15H,3H2,1-2H3,(H,25,26,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against Mitogen-activated protein kinase kinase kinase 1 (MEKK1)


J Med Chem 48: 5966-79 (2005)


Article DOI: 10.1021/jm050165o
BindingDB Entry DOI: 10.7270/Q2G160DZ
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50173609
PNG
(CHEMBL363648 | N-[4-(2-Ethyl-4-m-tolyl-thiazol-5-y...)
Show SMILES CCc1nc(c(s1)-c1ccnc(NC(=O)c2ccccc2)c1)-c1cccc(C)c1
Show InChI InChI=1S/C24H21N3OS/c1-3-21-27-22(18-11-7-8-16(2)14-18)23(29-21)19-12-13-25-20(15-19)26-24(28)17-9-5-4-6-10-17/h4-15H,3H2,1-2H3,(H,25,26,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against I-kappa-B kinase beta


J Med Chem 48: 5966-79 (2005)


Article DOI: 10.1021/jm050165o
BindingDB Entry DOI: 10.7270/Q2G160DZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13 (MAPK13)


(Homo sapiens (Human))
BDBM50173609
PNG
(CHEMBL363648 | N-[4-(2-Ethyl-4-m-tolyl-thiazol-5-y...)
Show SMILES CCc1nc(c(s1)-c1ccnc(NC(=O)c2ccccc2)c1)-c1cccc(C)c1
Show InChI InChI=1S/C24H21N3OS/c1-3-21-27-22(18-11-7-8-16(2)14-18)23(29-21)19-12-13-25-20(15-19)26-24(28)17-9-5-4-6-10-17/h4-15H,3H2,1-2H3,(H,25,26,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against mitogen-activated protein kinase p38-delta


J Med Chem 48: 5966-79 (2005)


Article DOI: 10.1021/jm050165o
BindingDB Entry DOI: 10.7270/Q2G160DZ
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM50173609
PNG
(CHEMBL363648 | N-[4-(2-Ethyl-4-m-tolyl-thiazol-5-y...)
Show SMILES CCc1nc(c(s1)-c1ccnc(NC(=O)c2ccccc2)c1)-c1cccc(C)c1
Show InChI InChI=1S/C24H21N3OS/c1-3-21-27-22(18-11-7-8-16(2)14-18)23(29-21)19-12-13-25-20(15-19)26-24(28)17-9-5-4-6-10-17/h4-15H,3H2,1-2H3,(H,25,26,28)
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US Patent
n/an/a 107n/an/an/an/an/an/a



Agency for Science, Technology and Research; National University of Singapore

US Patent


Assay Description
Table 3: Small molecules were tested for their inhibitory activities towards casein kinase 1 delta (CK1δ) and 1 epsilon (CK1ϵ). The in vit...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50173609
PNG
(CHEMBL363648 | N-[4-(2-Ethyl-4-m-tolyl-thiazol-5-y...)
Show SMILES CCc1nc(c(s1)-c1ccnc(NC(=O)c2ccccc2)c1)-c1cccc(C)c1
Show InChI InChI=1S/C24H21N3OS/c1-3-21-27-22(18-11-7-8-16(2)14-18)23(29-21)19-12-13-25-20(15-19)26-24(28)17-9-5-4-6-10-17/h4-15H,3H2,1-2H3,(H,25,26,28)
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n/an/a 7.10n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against mitogen-activated protein kinase p38 alpha


J Med Chem 48: 5966-79 (2005)


Article DOI: 10.1021/jm050165o
BindingDB Entry DOI: 10.7270/Q2G160DZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 12


(Homo sapiens (Human))
BDBM50173609
PNG
(CHEMBL363648 | N-[4-(2-Ethyl-4-m-tolyl-thiazol-5-y...)
Show SMILES CCc1nc(c(s1)-c1ccnc(NC(=O)c2ccccc2)c1)-c1cccc(C)c1
Show InChI InChI=1S/C24H21N3OS/c1-3-21-27-22(18-11-7-8-16(2)14-18)23(29-21)19-12-13-25-20(15-19)26-24(28)17-9-5-4-6-10-17/h4-15H,3H2,1-2H3,(H,25,26,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against mitogen-activated protein kinase p38-gamma


J Med Chem 48: 5966-79 (2005)


Article DOI: 10.1021/jm050165o
BindingDB Entry DOI: 10.7270/Q2G160DZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50173609
PNG
(CHEMBL363648 | N-[4-(2-Ethyl-4-m-tolyl-thiazol-5-y...)
Show SMILES CCc1nc(c(s1)-c1ccnc(NC(=O)c2ccccc2)c1)-c1cccc(C)c1
Show InChI InChI=1S/C24H21N3OS/c1-3-21-27-22(18-11-7-8-16(2)14-18)23(29-21)19-12-13-25-20(15-19)26-24(28)17-9-5-4-6-10-17/h4-15H,3H2,1-2H3,(H,25,26,28)
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n/an/a 240n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FLAG-tagged p38alpha expressed in baculovirus expression system using GFP-ATF2 (19 to 96 residues) as substrate prein...


Bioorg Med Chem 26: 647-660 (2018)


Article DOI: 10.1016/j.bmc.2017.12.031
BindingDB Entry DOI: 10.7270/Q2XP77K2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
MAP kinase p38


(Homo sapiens (Human))
BDBM50173609
PNG
(CHEMBL363648 | N-[4-(2-Ethyl-4-m-tolyl-thiazol-5-y...)
Show SMILES CCc1nc(c(s1)-c1ccnc(NC(=O)c2ccccc2)c1)-c1cccc(C)c1
Show InChI InChI=1S/C24H21N3OS/c1-3-21-27-22(18-11-7-8-16(2)14-18)23(29-21)19-12-13-25-20(15-19)26-24(28)17-9-5-4-6-10-17/h4-15H,3H2,1-2H3,(H,25,26,28)
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n/an/a 240n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of MAPK p38 in human THP1 cells assessed as reduction in LPS-induced TNFalpha production preincubated for 60 mins followed by LPS addition...


Bioorg Med Chem 26: 647-660 (2018)


Article DOI: 10.1016/j.bmc.2017.12.031
BindingDB Entry DOI: 10.7270/Q2XP77K2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50173609
PNG
(CHEMBL363648 | N-[4-(2-Ethyl-4-m-tolyl-thiazol-5-y...)
Show SMILES CCc1nc(c(s1)-c1ccnc(NC(=O)c2ccccc2)c1)-c1cccc(C)c1
Show InChI InChI=1S/C24H21N3OS/c1-3-21-27-22(18-11-7-8-16(2)14-18)23(29-21)19-12-13-25-20(15-19)26-24(28)17-9-5-4-6-10-17/h4-15H,3H2,1-2H3,(H,25,26,28)
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US Patent
n/an/a 78n/an/an/an/an/an/a



Agency for Science, Technology and Research; National University of Singapore

US Patent


Assay Description
Table 3: Small molecules were tested for their inhibitory activities towards casein kinase 1 delta (CK1δ) and 1 epsilon (CK1ϵ). The in vit...


US Patent US10865384 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50173609
PNG
(CHEMBL363648 | N-[4-(2-Ethyl-4-m-tolyl-thiazol-5-y...)
Show SMILES CCc1nc(c(s1)-c1ccnc(NC(=O)c2ccccc2)c1)-c1cccc(C)c1
Show InChI InChI=1S/C24H21N3OS/c1-3-21-27-22(18-11-7-8-16(2)14-18)23(29-21)19-12-13-25-20(15-19)26-24(28)17-9-5-4-6-10-17/h4-15H,3H2,1-2H3,(H,25,26,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against mitogen-activated protein kinase 3


J Med Chem 48: 5966-79 (2005)


Article DOI: 10.1021/jm050165o
BindingDB Entry DOI: 10.7270/Q2G160DZ
More data for this
Ligand-Target Pair