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BDBM50432373 CHEMBL2348417

SMILES: OCCNC(=O)C1=Cc2c(Nc3ccc(Oc4cccc5sccc45)c(Cl)c3)ncnc2NCC1

InChI Key: InChIKey=QHUDPFOODLMGQO-UHFFFAOYSA-N

Data: 36 IC50

PDB links: 1 PDB ID matches 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 36 hits for monomerid = 50432373   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50432373
PNG
(CHEMBL2348417)
Show SMILES OCCNC(=O)C1=Cc2c(Nc3ccc(Oc4cccc5sccc45)c(Cl)c3)ncnc2NCC1 |t:6|
Show InChI InChI=1S/C25H22ClN5O3S/c26-19-13-16(4-5-21(19)34-20-2-1-3-22-17(20)7-11-35-22)31-24-18-12-15(25(33)28-9-10-32)6-8-27-23(18)29-14-30-24/h1-5,7,11-14,32H,6,8-10H2,(H,28,33)(H2,27,29,30,31)
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n/an/a 9.80E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of LYNA (unknown origin) incubated for 5 mins prior to ATP addition measured after 10 mins by Alphascreen assay


Bioorg Med Chem 21: 2250-61 (2013)


Article DOI: 10.1016/j.bmc.2013.02.014
BindingDB Entry DOI: 10.7270/Q2TT4S9D
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50432373
PNG
(CHEMBL2348417)
Show SMILES OCCNC(=O)C1=Cc2c(Nc3ccc(Oc4cccc5sccc45)c(Cl)c3)ncnc2NCC1 |t:6|
Show InChI InChI=1S/C25H22ClN5O3S/c26-19-13-16(4-5-21(19)34-20-2-1-3-22-17(20)7-11-35-22)31-24-18-12-15(25(33)28-9-10-32)6-8-27-23(18)29-14-30-24/h1-5,7,11-14,32H,6,8-10H2,(H,28,33)(H2,27,29,30,31)
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n/an/a 24n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal DYKDDDD-tagged HER2 cytoplasmic domain (676 to 1255) expressed in baculovirus expression system incubated for 5 mins p...


Bioorg Med Chem 21: 2250-61 (2013)


Article DOI: 10.1016/j.bmc.2013.02.014
BindingDB Entry DOI: 10.7270/Q2TT4S9D
More data for this
Ligand-Target Pair
Apoptosis Signal-regulating Kinase 1 (ASK1)


(Homo sapiens (Human))
BDBM50432373
PNG
(CHEMBL2348417)
Show SMILES OCCNC(=O)C1=Cc2c(Nc3ccc(Oc4cccc5sccc45)c(Cl)c3)ncnc2NCC1 |t:6|
Show InChI InChI=1S/C25H22ClN5O3S/c26-19-13-16(4-5-21(19)34-20-2-1-3-22-17(20)7-11-35-22)31-24-18-12-15(25(33)28-9-10-32)6-8-27-23(18)29-14-30-24/h1-5,7,11-14,32H,6,8-10H2,(H,28,33)(H2,27,29,30,31)
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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
Inhibition of N-terminal FLAG-tagged full length FAK (unknown origin) expressed in baculovirus expression system incubated for 5 mins prior to ATP ad...


Bioorg Med Chem 21: 2250-61 (2013)


Article DOI: 10.1016/j.bmc.2013.02.014
BindingDB Entry DOI: 10.7270/Q2TT4S9D
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50432373
PNG
(CHEMBL2348417)
Show SMILES OCCNC(=O)C1=Cc2c(Nc3ccc(Oc4cccc5sccc45)c(Cl)c3)ncnc2NCC1 |t:6|
Show InChI InChI=1S/C25H22ClN5O3S/c26-19-13-16(4-5-21(19)34-20-2-1-3-22-17(20)7-11-35-22)31-24-18-12-15(25(33)28-9-10-32)6-8-27-23(18)29-14-30-24/h1-5,7,11-14,32H,6,8-10H2,(H,28,33)(H2,27,29,30,31)
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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
Inhibition of N-terminal FLAG-tagged JNK1 (unknown origin) expressed in baculovirus expression system incubated for 5 mins prior to [gamma-33P]ATP ad...


Bioorg Med Chem 21: 2250-61 (2013)


Article DOI: 10.1016/j.bmc.2013.02.014
BindingDB Entry DOI: 10.7270/Q2TT4S9D
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50432373
PNG
(CHEMBL2348417)
Show SMILES OCCNC(=O)C1=Cc2c(Nc3ccc(Oc4cccc5sccc45)c(Cl)c3)ncnc2NCC1 |t:6|
Show InChI InChI=1S/C25H22ClN5O3S/c26-19-13-16(4-5-21(19)34-20-2-1-3-22-17(20)7-11-35-22)31-24-18-12-15(25(33)28-9-10-32)6-8-27-23(18)29-14-30-24/h1-5,7,11-14,32H,6,8-10H2,(H,28,33)(H2,27,29,30,31)
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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
Inhibition of C-terminal FLAG-tagged IKKbeta (unknown origin) expressed in baculovirus expression system incubated for 5 mins prior to [gamma-33P]ATP...


Bioorg Med Chem 21: 2250-61 (2013)


Article DOI: 10.1016/j.bmc.2013.02.014
BindingDB Entry DOI: 10.7270/Q2TT4S9D
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50432373
PNG
(CHEMBL2348417)
Show SMILES OCCNC(=O)C1=Cc2c(Nc3ccc(Oc4cccc5sccc45)c(Cl)c3)ncnc2NCC1 |t:6|
Show InChI InChI=1S/C25H22ClN5O3S/c26-19-13-16(4-5-21(19)34-20-2-1-3-22-17(20)7-11-35-22)31-24-18-12-15(25(33)28-9-10-32)6-8-27-23(18)29-14-30-24/h1-5,7,11-14,32H,6,8-10H2,(H,28,33)(H2,27,29,30,31)
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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
Inhibition of N-terminal FLAG-tagged GSK3beta (unknown origin) expressed in baculovirus expression system incubated for 5 mins prior to [gamma-33P]AT...


Bioorg Med Chem 21: 2250-61 (2013)


Article DOI: 10.1016/j.bmc.2013.02.014
BindingDB Entry DOI: 10.7270/Q2TT4S9D
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50432373
PNG
(CHEMBL2348417)
Show SMILES OCCNC(=O)C1=Cc2c(Nc3ccc(Oc4cccc5sccc45)c(Cl)c3)ncnc2NCC1 |t:6|
Show InChI InChI=1S/C25H22ClN5O3S/c26-19-13-16(4-5-21(19)34-20-2-1-3-22-17(20)7-11-35-22)31-24-18-12-15(25(33)28-9-10-32)6-8-27-23(18)29-14-30-24/h1-5,7,11-14,32H,6,8-10H2,(H,28,33)(H2,27,29,30,31)
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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
Inhibition of N-terminal FLAG-tagged ERK1 (unknown origin) expressed in baculovirus expression system incubated for 5 mins prior to [gamma-33P]ATP ad...


Bioorg Med Chem 21: 2250-61 (2013)


Article DOI: 10.1016/j.bmc.2013.02.014
BindingDB Entry DOI: 10.7270/Q2TT4S9D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50432373
PNG
(CHEMBL2348417)
Show SMILES OCCNC(=O)C1=Cc2c(Nc3ccc(Oc4cccc5sccc45)c(Cl)c3)ncnc2NCC1 |t:6|
Show InChI InChI=1S/C25H22ClN5O3S/c26-19-13-16(4-5-21(19)34-20-2-1-3-22-17(20)7-11-35-22)31-24-18-12-15(25(33)28-9-10-32)6-8-27-23(18)29-14-30-24/h1-5,7,11-14,32H,6,8-10H2,(H,28,33)(H2,27,29,30,31)
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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
Inhibition of ZAP70 (unknown origin) incubated for 5 mins prior to ATP addition measured after 10 mins by Alphascreen assay


Bioorg Med Chem 21: 2250-61 (2013)


Article DOI: 10.1016/j.bmc.2013.02.014
BindingDB Entry DOI: 10.7270/Q2TT4S9D
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50432373
PNG
(CHEMBL2348417)
Show SMILES OCCNC(=O)C1=Cc2c(Nc3ccc(Oc4cccc5sccc45)c(Cl)c3)ncnc2NCC1 |t:6|
Show InChI InChI=1S/C25H22ClN5O3S/c26-19-13-16(4-5-21(19)34-20-2-1-3-22-17(20)7-11-35-22)31-24-18-12-15(25(33)28-9-10-32)6-8-27-23(18)29-14-30-24/h1-5,7,11-14,32H,6,8-10H2,(H,28,33)(H2,27,29,30,31)
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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
Inhibition of InsR (unknown origin) incubated for 5 mins prior to ATP addition measured after 60 mins by Alphascreen assay


Bioorg Med Chem 21: 2250-61 (2013)


Article DOI: 10.1016/j.bmc.2013.02.014
BindingDB Entry DOI: 10.7270/Q2TT4S9D
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50432373
PNG
(CHEMBL2348417)
Show SMILES OCCNC(=O)C1=Cc2c(Nc3ccc(Oc4cccc5sccc45)c(Cl)c3)ncnc2NCC1 |t:6|
Show InChI InChI=1S/C25H22ClN5O3S/c26-19-13-16(4-5-21(19)34-20-2-1-3-22-17(20)7-11-35-22)31-24-18-12-15(25(33)28-9-10-32)6-8-27-23(18)29-14-30-24/h1-5,7,11-14,32H,6,8-10H2,(H,28,33)(H2,27,29,30,31)
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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
Inhibition of IGF1R (unknown origin) incubated for 5 mins prior to ATP addition measured after 20 mins by Alphascreen assay


Bioorg Med Chem 21: 2250-61 (2013)


Article DOI: 10.1016/j.bmc.2013.02.014
BindingDB Entry DOI: 10.7270/Q2TT4S9D
More data for this
Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM50432373
PNG
(CHEMBL2348417)
Show SMILES OCCNC(=O)C1=Cc2c(Nc3ccc(Oc4cccc5sccc45)c(Cl)c3)ncnc2NCC1 |t:6|
Show InChI InChI=1S/C25H22ClN5O3S/c26-19-13-16(4-5-21(19)34-20-2-1-3-22-17(20)7-11-35-22)31-24-18-12-15(25(33)28-9-10-32)6-8-27-23(18)29-14-30-24/h1-5,7,11-14,32H,6,8-10H2,(H,28,33)(H2,27,29,30,31)
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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
Inhibition of N-terminal FLAG-tagged full length BMX (unknown origin) expressed in baculovirus expression system incubated for 5 mins prior to ATP ad...


Bioorg Med Chem 21: 2250-61 (2013)


Article DOI: 10.1016/j.bmc.2013.02.014
BindingDB Entry DOI: 10.7270/Q2TT4S9D
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50432373
PNG
(CHEMBL2348417)
Show SMILES OCCNC(=O)C1=Cc2c(Nc3ccc(Oc4cccc5sccc45)c(Cl)c3)ncnc2NCC1 |t:6|
Show InChI InChI=1S/C25H22ClN5O3S/c26-19-13-16(4-5-21(19)34-20-2-1-3-22-17(20)7-11-35-22)31-24-18-12-15(25(33)28-9-10-32)6-8-27-23(18)29-14-30-24/h1-5,7,11-14,32H,6,8-10H2,(H,28,33)(H2,27,29,30,31)
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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
Inhibition of N-terminal FLAG-tagged PKCtheta (unknown origin) expressed in baculovirus expression system incubated for 5 mins prior to [gamma-33P]AT...


Bioorg Med Chem 21: 2250-61 (2013)


Article DOI: 10.1016/j.bmc.2013.02.014
BindingDB Entry DOI: 10.7270/Q2TT4S9D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50432373
PNG
(CHEMBL2348417)
Show SMILES OCCNC(=O)C1=Cc2c(Nc3ccc(Oc4cccc5sccc45)c(Cl)c3)ncnc2NCC1 |t:6|
Show InChI InChI=1S/C25H22ClN5O3S/c26-19-13-16(4-5-21(19)34-20-2-1-3-22-17(20)7-11-35-22)31-24-18-12-15(25(33)28-9-10-32)6-8-27-23(18)29-14-30-24/h1-5,7,11-14,32H,6,8-10H2,(H,28,33)(H2,27,29,30,31)
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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
Inhibition of N-terminal FLAG-tagged PLK (unknown origin) expressed in baculovirus expression system incubated for 5 mins prior to [gamma-33P]ATP add...


Bioorg Med Chem 21: 2250-61 (2013)


Article DOI: 10.1016/j.bmc.2013.02.014
BindingDB Entry DOI: 10.7270/Q2TT4S9D
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 2 group C member 2


(Homo sapiens (Human))
BDBM50432373
PNG
(CHEMBL2348417)
Show SMILES OCCNC(=O)C1=Cc2c(Nc3ccc(Oc4cccc5sccc45)c(Cl)c3)ncnc2NCC1 |t:6|
Show InChI InChI=1S/C25H22ClN5O3S/c26-19-13-16(4-5-21(19)34-20-2-1-3-22-17(20)7-11-35-22)31-24-18-12-15(25(33)28-9-10-32)6-8-27-23(18)29-14-30-24/h1-5,7,11-14,32H,6,8-10H2,(H,28,33)(H2,27,29,30,31)
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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
Inhibition of N-terminal FLAG-tagged TAK1 (unknown origin) expressed in baculovirus expression system incubated for 5 mins prior to [gamma-33P]ATP ad...


Bioorg Med Chem 21: 2250-61 (2013)


Article DOI: 10.1016/j.bmc.2013.02.014
BindingDB Entry DOI: 10.7270/Q2TT4S9D
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50432373
PNG
(CHEMBL2348417)
Show SMILES OCCNC(=O)C1=Cc2c(Nc3ccc(Oc4cccc5sccc45)c(Cl)c3)ncnc2NCC1 |t:6|
Show InChI InChI=1S/C25H22ClN5O3S/c26-19-13-16(4-5-21(19)34-20-2-1-3-22-17(20)7-11-35-22)31-24-18-12-15(25(33)28-9-10-32)6-8-27-23(18)29-14-30-24/h1-5,7,11-14,32H,6,8-10H2,(H,28,33)(H2,27,29,30,31)
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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
Inhibition of N-terminal FLAG-tagged TTK (unknown origin) expressed in baculovirus expression system incubated for 5 mins prior to [gamma-33P]ATP add...


Bioorg Med Chem 21: 2250-61 (2013)


Article DOI: 10.1016/j.bmc.2013.02.014
BindingDB Entry DOI: 10.7270/Q2TT4S9D
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50432373
PNG
(CHEMBL2348417)
Show SMILES OCCNC(=O)C1=Cc2c(Nc3ccc(Oc4cccc5sccc45)c(Cl)c3)ncnc2NCC1 |t:6|
Show InChI InChI=1S/C25H22ClN5O3S/c26-19-13-16(4-5-21(19)34-20-2-1-3-22-17(20)7-11-35-22)31-24-18-12-15(25(33)28-9-10-32)6-8-27-23(18)29-14-30-24/h1-5,7,11-14,32H,6,8-10H2,(H,28,33)(H2,27,29,30,31)
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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
Inhibition of PDGFRbeta (unknown origin) incubated for 5 mins prior to ATP addition measured after 60 mins by Alphascreen assay


Bioorg Med Chem 21: 2250-61 (2013)


Article DOI: 10.1016/j.bmc.2013.02.014
BindingDB Entry DOI: 10.7270/Q2TT4S9D
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM50432373
PNG
(CHEMBL2348417)
Show SMILES OCCNC(=O)C1=Cc2c(Nc3ccc(Oc4cccc5sccc45)c(Cl)c3)ncnc2NCC1 |t:6|
Show InChI InChI=1S/C25H22ClN5O3S/c26-19-13-16(4-5-21(19)34-20-2-1-3-22-17(20)7-11-35-22)31-24-18-12-15(25(33)28-9-10-32)6-8-27-23(18)29-14-30-24/h1-5,7,11-14,32H,6,8-10H2,(H,28,33)(H2,27,29,30,31)
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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
Inhibition of PDGFRalpha (unknown origin) incubated for 5 mins prior to ATP addition measured after 30 mins by Alphascreen assay


Bioorg Med Chem 21: 2250-61 (2013)


Article DOI: 10.1016/j.bmc.2013.02.014
BindingDB Entry DOI: 10.7270/Q2TT4S9D
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50432373
PNG
(CHEMBL2348417)
Show SMILES OCCNC(=O)C1=Cc2c(Nc3ccc(Oc4cccc5sccc45)c(Cl)c3)ncnc2NCC1 |t:6|
Show InChI InChI=1S/C25H22ClN5O3S/c26-19-13-16(4-5-21(19)34-20-2-1-3-22-17(20)7-11-35-22)31-24-18-12-15(25(33)28-9-10-32)6-8-27-23(18)29-14-30-24/h1-5,7,11-14,32H,6,8-10H2,(H,28,33)(H2,27,29,30,31)
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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
Inhibition of N-terminal FLAG-tagged VEGFR2 cytoplasmic domain (unknown origin) incubated for 5 mins prior to ATP addition measured after 10 mins by ...


Bioorg Med Chem 21: 2250-61 (2013)


Article DOI: 10.1016/j.bmc.2013.02.014
BindingDB Entry DOI: 10.7270/Q2TT4S9D
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50432373
PNG
(CHEMBL2348417)
Show SMILES OCCNC(=O)C1=Cc2c(Nc3ccc(Oc4cccc5sccc45)c(Cl)c3)ncnc2NCC1 |t:6|
Show InChI InChI=1S/C25H22ClN5O3S/c26-19-13-16(4-5-21(19)34-20-2-1-3-22-17(20)7-11-35-22)31-24-18-12-15(25(33)28-9-10-32)6-8-27-23(18)29-14-30-24/h1-5,7,11-14,32H,6,8-10H2,(H,28,33)(H2,27,29,30,31)
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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
Inhibition of VEGFR1 (unknown origin) incubated for 5 mins prior to ATP addition measured after 5 mins by Alphascreen assay


Bioorg Med Chem 21: 2250-61 (2013)


Article DOI: 10.1016/j.bmc.2013.02.014
BindingDB Entry DOI: 10.7270/Q2TT4S9D
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 1


(Homo sapiens (Human))
BDBM50432373
PNG
(CHEMBL2348417)
Show SMILES OCCNC(=O)C1=Cc2c(Nc3ccc(Oc4cccc5sccc45)c(Cl)c3)ncnc2NCC1 |t:6|
Show InChI InChI=1S/C25H22ClN5O3S/c26-19-13-16(4-5-21(19)34-20-2-1-3-22-17(20)7-11-35-22)31-24-18-12-15(25(33)28-9-10-32)6-8-27-23(18)29-14-30-24/h1-5,7,11-14,32H,6,8-10H2,(H,28,33)(H2,27,29,30,31)
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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
Inhibition of C-terminal FLAG-tagged MEKK (unknown origin) expressed in baculovirus expression system incubated for 5 mins prior to [gamma-33P]ATP ad...


Bioorg Med Chem 21: 2250-61 (2013)


Article DOI: 10.1016/j.bmc.2013.02.014
BindingDB Entry DOI: 10.7270/Q2TT4S9D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase CSK


(Homo sapiens (Human))
BDBM50432373
PNG
(CHEMBL2348417)
Show SMILES OCCNC(=O)C1=Cc2c(Nc3ccc(Oc4cccc5sccc45)c(Cl)c3)ncnc2NCC1 |t:6|
Show InChI InChI=1S/C25H22ClN5O3S/c26-19-13-16(4-5-21(19)34-20-2-1-3-22-17(20)7-11-35-22)31-24-18-12-15(25(33)28-9-10-32)6-8-27-23(18)29-14-30-24/h1-5,7,11-14,32H,6,8-10H2,(H,28,33)(H2,27,29,30,31)
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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
Inhibition of CSK (unknown origin) incubated for 5 mins prior to ATP addition measured after 10 mins by Alphascreen assay


Bioorg Med Chem 21: 2250-61 (2013)


Article DOI: 10.1016/j.bmc.2013.02.014
BindingDB Entry DOI: 10.7270/Q2TT4S9D
More data for this
Ligand-Target Pair
Apoptosis Signal-regulating Kinase 1 (ASK1)


(Homo sapiens (Human))
BDBM50432373
PNG
(CHEMBL2348417)
Show SMILES OCCNC(=O)C1=Cc2c(Nc3ccc(Oc4cccc5sccc45)c(Cl)c3)ncnc2NCC1 |t:6|
Show InChI InChI=1S/C25H22ClN5O3S/c26-19-13-16(4-5-21(19)34-20-2-1-3-22-17(20)7-11-35-22)31-24-18-12-15(25(33)28-9-10-32)6-8-27-23(18)29-14-30-24/h1-5,7,11-14,32H,6,8-10H2,(H,28,33)(H2,27,29,30,31)
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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
Inhibition of N-terminal FLAG-tagged full length FAK (unknown origin) expressed in baculovirus expression system incubated for 5 mins prior to ATP ad...


Bioorg Med Chem 21: 2250-61 (2013)


Article DOI: 10.1016/j.bmc.2013.02.014
BindingDB Entry DOI: 10.7270/Q2TT4S9D
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM50432373
PNG
(CHEMBL2348417)
Show SMILES OCCNC(=O)C1=Cc2c(Nc3ccc(Oc4cccc5sccc45)c(Cl)c3)ncnc2NCC1 |t:6|
Show InChI InChI=1S/C25H22ClN5O3S/c26-19-13-16(4-5-21(19)34-20-2-1-3-22-17(20)7-11-35-22)31-24-18-12-15(25(33)28-9-10-32)6-8-27-23(18)29-14-30-24/h1-5,7,11-14,32H,6,8-10H2,(H,28,33)(H2,27,29,30,31)
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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
Inhibition of FGFR3 (unknown origin) incubated for 5 mins prior to ATP addition measured after 10 mins by Alphascreen assay


Bioorg Med Chem 21: 2250-61 (2013)


Article DOI: 10.1016/j.bmc.2013.02.014
BindingDB Entry DOI: 10.7270/Q2TT4S9D
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50432373
PNG
(CHEMBL2348417)
Show SMILES OCCNC(=O)C1=Cc2c(Nc3ccc(Oc4cccc5sccc45)c(Cl)c3)ncnc2NCC1 |t:6|
Show InChI InChI=1S/C25H22ClN5O3S/c26-19-13-16(4-5-21(19)34-20-2-1-3-22-17(20)7-11-35-22)31-24-18-12-15(25(33)28-9-10-32)6-8-27-23(18)29-14-30-24/h1-5,7,11-14,32H,6,8-10H2,(H,28,33)(H2,27,29,30,31)
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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
Inhibition of FGFR1 (unknown origin) incubated for 5 mins prior to ATP addition measured after 10 mins by Alphascreen assay


Bioorg Med Chem 21: 2250-61 (2013)


Article DOI: 10.1016/j.bmc.2013.02.014
BindingDB Entry DOI: 10.7270/Q2TT4S9D
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM50432373
PNG
(CHEMBL2348417)
Show SMILES OCCNC(=O)C1=Cc2c(Nc3ccc(Oc4cccc5sccc45)c(Cl)c3)ncnc2NCC1 |t:6|
Show InChI InChI=1S/C25H22ClN5O3S/c26-19-13-16(4-5-21(19)34-20-2-1-3-22-17(20)7-11-35-22)31-24-18-12-15(25(33)28-9-10-32)6-8-27-23(18)29-14-30-24/h1-5,7,11-14,32H,6,8-10H2,(H,28,33)(H2,27,29,30,31)
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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
Inhibition of TIE2 (unknown origin) incubated for 5 mins prior to ATP addition measured after 10 mins by Alphascreen assay


Bioorg Med Chem 21: 2250-61 (2013)


Article DOI: 10.1016/j.bmc.2013.02.014
BindingDB Entry DOI: 10.7270/Q2TT4S9D
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50432373
PNG
(CHEMBL2348417)
Show SMILES OCCNC(=O)C1=Cc2c(Nc3ccc(Oc4cccc5sccc45)c(Cl)c3)ncnc2NCC1 |t:6|
Show InChI InChI=1S/C25H22ClN5O3S/c26-19-13-16(4-5-21(19)34-20-2-1-3-22-17(20)7-11-35-22)31-24-18-12-15(25(33)28-9-10-32)6-8-27-23(18)29-14-30-24/h1-5,7,11-14,32H,6,8-10H2,(H,28,33)(H2,27,29,30,31)
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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
Inhibition of N-terminal GST-fused MEK1 (unknown origin) incubated for 5 mins prior to [gamma-33P]ATP addition measured after 20 mins by scintillatio...


Bioorg Med Chem 21: 2250-61 (2013)


Article DOI: 10.1016/j.bmc.2013.02.014
BindingDB Entry DOI: 10.7270/Q2TT4S9D
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50432373
PNG
(CHEMBL2348417)
Show SMILES OCCNC(=O)C1=Cc2c(Nc3ccc(Oc4cccc5sccc45)c(Cl)c3)ncnc2NCC1 |t:6|
Show InChI InChI=1S/C25H22ClN5O3S/c26-19-13-16(4-5-21(19)34-20-2-1-3-22-17(20)7-11-35-22)31-24-18-12-15(25(33)28-9-10-32)6-8-27-23(18)29-14-30-24/h1-5,7,11-14,32H,6,8-10H2,(H,28,33)(H2,27,29,30,31)
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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
Inhibition of c-kit (unknown origin) incubated for 5 mins prior to ATP addition measured after 20 mins by Alphascreen assay


Bioorg Med Chem 21: 2250-61 (2013)


Article DOI: 10.1016/j.bmc.2013.02.014
BindingDB Entry DOI: 10.7270/Q2TT4S9D
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50432373
PNG
(CHEMBL2348417)
Show SMILES OCCNC(=O)C1=Cc2c(Nc3ccc(Oc4cccc5sccc45)c(Cl)c3)ncnc2NCC1 |t:6|
Show InChI InChI=1S/C25H22ClN5O3S/c26-19-13-16(4-5-21(19)34-20-2-1-3-22-17(20)7-11-35-22)31-24-18-12-15(25(33)28-9-10-32)6-8-27-23(18)29-14-30-24/h1-5,7,11-14,32H,6,8-10H2,(H,28,33)(H2,27,29,30,31)
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n/an/a 5.60E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin) incubated for 5 mins prior to ATP addition measured after 10 mins by Alphascreen assay


Bioorg Med Chem 21: 2250-61 (2013)


Article DOI: 10.1016/j.bmc.2013.02.014
BindingDB Entry DOI: 10.7270/Q2TT4S9D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50432373
PNG
(CHEMBL2348417)
Show SMILES OCCNC(=O)C1=Cc2c(Nc3ccc(Oc4cccc5sccc45)c(Cl)c3)ncnc2NCC1 |t:6|
Show InChI InChI=1S/C25H22ClN5O3S/c26-19-13-16(4-5-21(19)34-20-2-1-3-22-17(20)7-11-35-22)31-24-18-12-15(25(33)28-9-10-32)6-8-27-23(18)29-14-30-24/h1-5,7,11-14,32H,6,8-10H2,(H,28,33)(H2,27,29,30,31)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of LCK (unknown origin) incubated for 5 mins prior to ATP addition measured after 30 mins by Alphascreen assay


Bioorg Med Chem 21: 2250-61 (2013)


Article DOI: 10.1016/j.bmc.2013.02.014
BindingDB Entry DOI: 10.7270/Q2TT4S9D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50432373
PNG
(CHEMBL2348417)
Show SMILES OCCNC(=O)C1=Cc2c(Nc3ccc(Oc4cccc5sccc45)c(Cl)c3)ncnc2NCC1 |t:6|
Show InChI InChI=1S/C25H22ClN5O3S/c26-19-13-16(4-5-21(19)34-20-2-1-3-22-17(20)7-11-35-22)31-24-18-12-15(25(33)28-9-10-32)6-8-27-23(18)29-14-30-24/h1-5,7,11-14,32H,6,8-10H2,(H,28,33)(H2,27,29,30,31)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of LYNB (unknown origin) incubated for 5 mins prior to ATP addition measured after 10 mins by Alphascreen assay


Bioorg Med Chem 21: 2250-61 (2013)


Article DOI: 10.1016/j.bmc.2013.02.014
BindingDB Entry DOI: 10.7270/Q2TT4S9D
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50432373
PNG
(CHEMBL2348417)
Show SMILES OCCNC(=O)C1=Cc2c(Nc3ccc(Oc4cccc5sccc45)c(Cl)c3)ncnc2NCC1 |t:6|
Show InChI InChI=1S/C25H22ClN5O3S/c26-19-13-16(4-5-21(19)34-20-2-1-3-22-17(20)7-11-35-22)31-24-18-12-15(25(33)28-9-10-32)6-8-27-23(18)29-14-30-24/h1-5,7,11-14,32H,6,8-10H2,(H,28,33)(H2,27,29,30,31)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged p38alpha (unknown origin) expressed in baculovirus expression system incubated for 5 mins prior to [gamma-33P]AT...


Bioorg Med Chem 21: 2250-61 (2013)


Article DOI: 10.1016/j.bmc.2013.02.014
BindingDB Entry DOI: 10.7270/Q2TT4S9D
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 5


(Homo sapiens (Human))
BDBM50432373
PNG
(CHEMBL2348417)
Show SMILES OCCNC(=O)C1=Cc2c(Nc3ccc(Oc4cccc5sccc45)c(Cl)c3)ncnc2NCC1 |t:6|
Show InChI InChI=1S/C25H22ClN5O3S/c26-19-13-16(4-5-21(19)34-20-2-1-3-22-17(20)7-11-35-22)31-24-18-12-15(25(33)28-9-10-32)6-8-27-23(18)29-14-30-24/h1-5,7,11-14,32H,6,8-10H2,(H,28,33)(H2,27,29,30,31)
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n/an/a 870n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged MEK5 (unknown origin) expressed in baculovirus expression system incubated for 5 mins prior to [gamma-33P]ATP ad...


Bioorg Med Chem 21: 2250-61 (2013)


Article DOI: 10.1016/j.bmc.2013.02.014
BindingDB Entry DOI: 10.7270/Q2TT4S9D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50432373
PNG
(CHEMBL2348417)
Show SMILES OCCNC(=O)C1=Cc2c(Nc3ccc(Oc4cccc5sccc45)c(Cl)c3)ncnc2NCC1 |t:6|
Show InChI InChI=1S/C25H22ClN5O3S/c26-19-13-16(4-5-21(19)34-20-2-1-3-22-17(20)7-11-35-22)31-24-18-12-15(25(33)28-9-10-32)6-8-27-23(18)29-14-30-24/h1-5,7,11-14,32H,6,8-10H2,(H,28,33)(H2,27,29,30,31)
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n/an/a 230n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type N-terminal FLAG-tagged B-raf (unknown origin) expressed in baculovirus expression system incubated for 5 mins prior to [gamma...


Bioorg Med Chem 21: 2250-61 (2013)


Article DOI: 10.1016/j.bmc.2013.02.014
BindingDB Entry DOI: 10.7270/Q2TT4S9D
More data for this
Ligand-Target Pair
Receptor protein-tyrosine kinase erbB-4


(Homo sapiens (Human))
BDBM50432373
PNG
(CHEMBL2348417)
Show SMILES OCCNC(=O)C1=Cc2c(Nc3ccc(Oc4cccc5sccc45)c(Cl)c3)ncnc2NCC1 |t:6|
Show InChI InChI=1S/C25H22ClN5O3S/c26-19-13-16(4-5-21(19)34-20-2-1-3-22-17(20)7-11-35-22)31-24-18-12-15(25(33)28-9-10-32)6-8-27-23(18)29-14-30-24/h1-5,7,11-14,32H,6,8-10H2,(H,28,33)(H2,27,29,30,31)
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n/an/a 240n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of HER4 cytoplasmic domain (unknown origin) expressed in baculovirus expression system incubated for 5 mins prior to [gamma-32P]ATP additi...


Bioorg Med Chem 21: 2250-61 (2013)


Article DOI: 10.1016/j.bmc.2013.02.014
BindingDB Entry DOI: 10.7270/Q2TT4S9D
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50432373
PNG
(CHEMBL2348417)
Show SMILES OCCNC(=O)C1=Cc2c(Nc3ccc(Oc4cccc5sccc45)c(Cl)c3)ncnc2NCC1 |t:6|
Show InChI InChI=1S/C25H22ClN5O3S/c26-19-13-16(4-5-21(19)34-20-2-1-3-22-17(20)7-11-35-22)31-24-18-12-15(25(33)28-9-10-32)6-8-27-23(18)29-14-30-24/h1-5,7,11-14,32H,6,8-10H2,(H,28,33)(H2,27,29,30,31)
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n/an/a 36n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal DYKDDDD-tagged EGFR cytoplasmic domain (669 to 1210) expressed in baculovirus expression system incubated for 5 mins p...


Bioorg Med Chem 21: 2250-61 (2013)


Article DOI: 10.1016/j.bmc.2013.02.014
BindingDB Entry DOI: 10.7270/Q2TT4S9D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aurora kinase B


(Homo sapiens (Human))
BDBM50432373
PNG
(CHEMBL2348417)
Show SMILES OCCNC(=O)C1=Cc2c(Nc3ccc(Oc4cccc5sccc45)c(Cl)c3)ncnc2NCC1 |t:6|
Show InChI InChI=1S/C25H22ClN5O3S/c26-19-13-16(4-5-21(19)34-20-2-1-3-22-17(20)7-11-35-22)31-24-18-12-15(25(33)28-9-10-32)6-8-27-23(18)29-14-30-24/h1-5,7,11-14,32H,6,8-10H2,(H,28,33)(H2,27,29,30,31)
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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
Inhibition of N-terminal His6x-tagged aurora-B (unknown origin) expressed in baculovirus expression system incubated for 5 mins prior to [gamma-33P]A...


Bioorg Med Chem 21: 2250-61 (2013)


Article DOI: 10.1016/j.bmc.2013.02.014
BindingDB Entry DOI: 10.7270/Q2TT4S9D
More data for this
Ligand-Target Pair