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PubMed code 22980219

Compile data set for download or QSAR
Found 55 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
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50391645
PNG
(CHEMBL2148050)
Show SMILES CS(=O)(=O)CC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c12
Show InChI InChI=1S/C23H21Cl2N5O4S/c1-35(32,33)13-21(31)26-8-10-30-9-7-19-22(30)23(28-14-27-19)29-16-5-6-20(18(25)12-16)34-17-4-2-3-15(24)11-17/h2-7,9,11-12,14H,8,10,13H2,1H3,(H,26,31)(H,27,28,29)
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n/an/a 2.90n/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 amino acid 676 to 1255 expressed in baculovirus after 5 mins by scintillation c...


Bioorg Med Chem 20: 6171-80 (2012)


Article DOI: 10.1016/j.bmc.2012.08.002
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50391642
PNG
(CHEMBL2148051)
Show SMILES CC(C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c12)S(C)(=O)=O
Show InChI InChI=1S/C24H23Cl2N5O4S/c1-15(36(2,33)34)24(32)27-9-11-31-10-8-20-22(31)23(29-14-28-20)30-17-6-7-21(19(26)13-17)35-18-5-3-4-16(25)12-18/h3-8,10,12-15H,9,11H2,1-2H3,(H,27,32)(H,28,29,30)
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n/an/a 4.10n/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 amino acid 676 to 1255 expressed in baculovirus after 5 mins by scintillation c...


Bioorg Med Chem 20: 6171-80 (2012)


Article DOI: 10.1016/j.bmc.2012.08.002
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50391649
PNG
(CHEMBL2148044)
Show SMILES CS(=O)(=O)CC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12
Show InChI InChI=1S/C24H21ClF3N5O4S/c1-38(35,36)13-21(34)29-8-10-33-9-7-19-22(33)23(31-14-30-19)32-16-5-6-20(18(25)12-16)37-17-4-2-3-15(11-17)24(26,27)28/h2-7,9,11-12,14H,8,10,13H2,1H3,(H,29,34)(H,30,31,32)
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n/an/a 6.30n/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 amino acid 676 to 1255 expressed in baculovirus after 5 mins by scintillation c...


Bioorg Med Chem 20: 6171-80 (2012)


Article DOI: 10.1016/j.bmc.2012.08.002
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50391645
PNG
(CHEMBL2148050)
Show SMILES CS(=O)(=O)CC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c12
Show InChI InChI=1S/C23H21Cl2N5O4S/c1-35(32,33)13-21(31)26-8-10-30-9-7-19-22(30)23(28-14-27-19)29-16-5-6-20(18(25)12-16)34-17-4-2-3-15(24)11-17/h2-7,9,11-12,14H,8,10,13H2,1H3,(H,26,31)(H,27,28,29)
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n/an/a 6.70n/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 amino acid 669 to 1210 expressed in baculovirus after 5 mins by scintillation c...


Bioorg Med Chem 20: 6171-80 (2012)


Article DOI: 10.1016/j.bmc.2012.08.002
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50391641
PNG
(CHEMBL2148048)
Show SMILES CC(C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12)S(C)(=O)=O
Show InChI InChI=1S/C25H23ClF3N5O4S/c1-15(39(2,36)37)24(35)30-9-11-34-10-8-20-22(34)23(32-14-31-20)33-17-6-7-21(19(26)13-17)38-18-5-3-4-16(12-18)25(27,28)29/h3-8,10,12-15H,9,11H2,1-2H3,(H,30,35)(H,31,32,33)
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n/an/a 7.10n/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 amino acid 676 to 1255 expressed in baculovirus after 5 mins by scintillation c...


Bioorg Med Chem 20: 6171-80 (2012)


Article DOI: 10.1016/j.bmc.2012.08.002
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50391647
PNG
(CHEMBL2148045)
Show SMILES CCS(=O)(=O)CC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12
Show InChI InChI=1S/C25H23ClF3N5O4S/c1-2-39(36,37)14-22(35)30-9-11-34-10-8-20-23(34)24(32-15-31-20)33-17-6-7-21(19(26)13-17)38-18-5-3-4-16(12-18)25(27,28)29/h3-8,10,12-13,15H,2,9,11,14H2,1H3,(H,30,35)(H,31,32,33)
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n/an/a 8.5n/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 amino acid 676 to 1255 expressed in baculovirus after 5 mins by scintillation c...


Bioorg Med Chem 20: 6171-80 (2012)


Article DOI: 10.1016/j.bmc.2012.08.002
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50391642
PNG
(CHEMBL2148051)
Show SMILES CC(C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c12)S(C)(=O)=O
Show InChI InChI=1S/C24H23Cl2N5O4S/c1-15(36(2,33)34)24(32)27-9-11-31-10-8-20-22(31)23(29-14-28-20)30-17-6-7-21(19(26)13-17)35-18-5-3-4-16(25)12-18/h3-8,10,12-15H,9,11H2,1-2H3,(H,27,32)(H,28,29,30)
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n/an/a 9.80n/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 amino acid 669 to 1210 expressed in baculovirus after 5 mins by scintillation c...


Bioorg Med Chem 20: 6171-80 (2012)


Article DOI: 10.1016/j.bmc.2012.08.002
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50391643
PNG
(CHEMBL2148052 | CHEMBL2148053)
Show SMILES CC(C)(C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c12)S(C)(=O)=O
Show InChI InChI=1S/C25H25Cl2N5O4S/c1-25(2,37(3,34)35)24(33)28-10-12-32-11-9-20-22(32)23(30-15-29-20)31-17-7-8-21(19(27)14-17)36-18-6-4-5-16(26)13-18/h4-9,11,13-15H,10,12H2,1-3H3,(H,28,33)(H,29,30,31)
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n/an/a 11n/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 amino acid 669 to 1210 expressed in baculovirus after 5 mins by scintillation c...


Bioorg Med Chem 20: 6171-80 (2012)


Article DOI: 10.1016/j.bmc.2012.08.002
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50391643
PNG
(CHEMBL2148052 | CHEMBL2148053)
Show SMILES CC(C)(C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c12)S(C)(=O)=O
Show InChI InChI=1S/C25H25Cl2N5O4S/c1-25(2,37(3,34)35)24(33)28-10-12-32-11-9-20-22(32)23(30-15-29-20)31-17-7-8-21(19(27)14-17)36-18-6-4-5-16(26)13-18/h4-9,11,13-15H,10,12H2,1-3H3,(H,28,33)(H,29,30,31)
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n/an/a 11n/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 amino acid 669 to 1210 expressed in baculovirus after 5 mins by scintillation c...


Bioorg Med Chem 20: 6171-80 (2012)


Article DOI: 10.1016/j.bmc.2012.08.002
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50391643
PNG
(CHEMBL2148052 | CHEMBL2148053)
Show SMILES CC(C)(C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c12)S(C)(=O)=O
Show InChI InChI=1S/C25H25Cl2N5O4S/c1-25(2,37(3,34)35)24(33)28-10-12-32-11-9-20-22(32)23(30-15-29-20)31-17-7-8-21(19(27)14-17)36-18-6-4-5-16(26)13-18/h4-9,11,13-15H,10,12H2,1-3H3,(H,28,33)(H,29,30,31)
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n/an/a 11n/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 amino acid 676 to 1255 expressed in baculovirus after 5 mins by scintillation c...


Bioorg Med Chem 20: 6171-80 (2012)


Article DOI: 10.1016/j.bmc.2012.08.002
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50391646
PNG
(CHEMBL2148046)
Show SMILES CC(C)S(=O)(=O)CC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12
Show InChI InChI=1S/C26H25ClF3N5O4S/c1-16(2)40(37,38)14-23(36)31-9-11-35-10-8-21-24(35)25(33-15-32-21)34-18-6-7-22(20(27)13-18)39-19-5-3-4-17(12-19)26(28,29)30/h3-8,10,12-13,15-16H,9,11,14H2,1-2H3,(H,31,36)(H,32,33,34)
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n/an/a 11n/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 amino acid 676 to 1255 expressed in baculovirus after 5 mins by scintillation c...


Bioorg Med Chem 20: 6171-80 (2012)


Article DOI: 10.1016/j.bmc.2012.08.002
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50391643
PNG
(CHEMBL2148052 | CHEMBL2148053)
Show SMILES CC(C)(C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c12)S(C)(=O)=O
Show InChI InChI=1S/C25H25Cl2N5O4S/c1-25(2,37(3,34)35)24(33)28-10-12-32-11-9-20-22(32)23(30-15-29-20)31-17-7-8-21(19(27)14-17)36-18-6-4-5-16(26)13-18/h4-9,11,13-15H,10,12H2,1-3H3,(H,28,33)(H,29,30,31)
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n/an/a 11n/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 amino acid 676 to 1255 expressed in baculovirus after 5 mins by scintillation c...


Bioorg Med Chem 20: 6171-80 (2012)


Article DOI: 10.1016/j.bmc.2012.08.002
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50391648
PNG
(CHEMBL2148047)
Show SMILES CC(C)(C)S(=O)(=O)CC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12
Show InChI InChI=1S/C27H27ClF3N5O4S/c1-26(2,3)41(38,39)15-23(37)32-10-12-36-11-9-21-24(36)25(34-16-33-21)35-18-7-8-22(20(28)14-18)40-19-6-4-5-17(13-19)27(29,30)31/h4-9,11,13-14,16H,10,12,15H2,1-3H3,(H,32,37)(H,33,34,35)
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n/an/a 14n/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 amino acid 676 to 1255 expressed in baculovirus after 5 mins by scintillation c...


Bioorg Med Chem 20: 6171-80 (2012)


Article DOI: 10.1016/j.bmc.2012.08.002
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50391649
PNG
(CHEMBL2148044)
Show SMILES CS(=O)(=O)CC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12
Show InChI InChI=1S/C24H21ClF3N5O4S/c1-38(35,36)13-21(34)29-8-10-33-9-7-19-22(33)23(31-14-30-19)32-16-5-6-20(18(25)12-16)37-17-4-2-3-15(11-17)24(26,27)28/h2-7,9,11-12,14H,8,10,13H2,1H3,(H,29,34)(H,30,31,32)
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n/an/a 15n/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 amino acid 669 to 1210 expressed in baculovirus after 5 mins by scintillation c...


Bioorg Med Chem 20: 6171-80 (2012)


Article DOI: 10.1016/j.bmc.2012.08.002
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50391644
PNG
(CHEMBL2148049)
Show SMILES CC(C)(C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12)S(C)(=O)=O
Show InChI InChI=1S/C26H25ClF3N5O4S/c1-25(2,40(3,37)38)24(36)31-10-12-35-11-9-20-22(35)23(33-15-32-20)34-17-7-8-21(19(27)14-17)39-18-6-4-5-16(13-18)26(28,29)30/h4-9,11,13-15H,10,12H2,1-3H3,(H,31,36)(H,32,33,34)
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n/an/a 17n/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 amino acid 676 to 1255 expressed in baculovirus after 5 mins by scintillation c...


Bioorg Med Chem 20: 6171-80 (2012)


Article DOI: 10.1016/j.bmc.2012.08.002
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50391641
PNG
(CHEMBL2148048)
Show SMILES CC(C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12)S(C)(=O)=O
Show InChI InChI=1S/C25H23ClF3N5O4S/c1-15(39(2,36)37)24(35)30-9-11-34-10-8-20-22(34)23(32-14-31-20)33-17-6-7-21(19(26)13-17)38-18-5-3-4-16(12-18)25(27,28)29/h3-8,10,12-15H,9,11H2,1-2H3,(H,30,35)(H,31,32,33)
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n/an/a 18n/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 amino acid 669 to 1210 expressed in baculovirus after 5 mins by scintillation c...


Bioorg Med Chem 20: 6171-80 (2012)


Article DOI: 10.1016/j.bmc.2012.08.002
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50391647
PNG
(CHEMBL2148045)
Show SMILES CCS(=O)(=O)CC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12
Show InChI InChI=1S/C25H23ClF3N5O4S/c1-2-39(36,37)14-22(35)30-9-11-34-10-8-20-23(34)24(32-15-31-20)33-17-6-7-21(19(26)13-17)38-18-5-3-4-16(12-18)25(27,28)29/h3-8,10,12-13,15H,2,9,11,14H2,1H3,(H,30,35)(H,31,32,33)
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n/an/a 31n/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 amino acid 669 to 1210 expressed in baculovirus after 5 mins by scintillation c...


Bioorg Med Chem 20: 6171-80 (2012)


Article DOI: 10.1016/j.bmc.2012.08.002
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50391644
PNG
(CHEMBL2148049)
Show SMILES CC(C)(C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12)S(C)(=O)=O
Show InChI InChI=1S/C26H25ClF3N5O4S/c1-25(2,40(3,37)38)24(36)31-10-12-35-11-9-20-22(35)23(33-15-32-20)34-17-7-8-21(19(27)14-17)39-18-6-4-5-16(13-18)26(28,29)30/h4-9,11,13-15H,10,12H2,1-3H3,(H,31,36)(H,32,33,34)
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n/an/a 47n/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 amino acid 669 to 1210 expressed in baculovirus after 5 mins by scintillation c...


Bioorg Med Chem 20: 6171-80 (2012)


Article DOI: 10.1016/j.bmc.2012.08.002
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50391646
PNG
(CHEMBL2148046)
Show SMILES CC(C)S(=O)(=O)CC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12
Show InChI InChI=1S/C26H25ClF3N5O4S/c1-16(2)40(37,38)14-23(36)31-9-11-35-10-8-21-24(35)25(33-15-32-21)34-18-6-7-22(20(27)13-18)39-19-5-3-4-17(12-19)26(28,29)30/h3-8,10,12-13,15-16H,9,11,14H2,1-2H3,(H,31,36)(H,32,33,34)
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n/an/a 53n/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 amino acid 669 to 1210 expressed in baculovirus after 5 mins by scintillation c...


Bioorg Med Chem 20: 6171-80 (2012)


Article DOI: 10.1016/j.bmc.2012.08.002
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50391648
PNG
(CHEMBL2148047)
Show SMILES CC(C)(C)S(=O)(=O)CC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12
Show InChI InChI=1S/C27H27ClF3N5O4S/c1-26(2,3)41(38,39)15-23(37)32-10-12-36-11-9-21-24(36)25(34-16-33-21)35-18-7-8-22(20(28)14-18)40-19-6-4-5-17(13-19)27(29,30)31/h4-9,11,13-14,16H,10,12,15H2,1-3H3,(H,32,37)(H,33,34,35)
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n/an/a 56n/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 amino acid 669 to 1210 expressed in baculovirus after 5 mins by scintillation c...


Bioorg Med Chem 20: 6171-80 (2012)


Article DOI: 10.1016/j.bmc.2012.08.002
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4


(Homo sapiens (Human))
BDBM50391643
PNG
(CHEMBL2148052 | CHEMBL2148053)
Show SMILES CC(C)(C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c12)S(C)(=O)=O
Show InChI InChI=1S/C25H25Cl2N5O4S/c1-25(2,37(3,34)35)24(33)28-10-12-32-11-9-20-22(32)23(30-15-29-20)31-17-7-8-21(19(27)14-17)36-18-6-4-5-16(26)13-18/h4-9,11,13-15H,10,12H2,1-3H3,(H,28,33)(H,29,30,31)
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n/an/a 160n/an/an/an/an/an/a



Takeda Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of HER4 cytoplasmic domain after 5 mins by scintillation counter


Bioorg Med Chem 20: 6171-80 (2012)


Article DOI: 10.1016/j.bmc.2012.08.002
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50391643
PNG
(CHEMBL2148052 | CHEMBL2148053)
Show SMILES CC(C)(C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c12)S(C)(=O)=O
Show InChI InChI=1S/C25H25Cl2N5O4S/c1-25(2,37(3,34)35)24(33)28-10-12-32-11-9-20-22(32)23(30-15-29-20)31-17-7-8-21(19(27)14-17)36-18-6-4-5-16(26)13-18/h4-9,11,13-15H,10,12H2,1-3H3,(H,28,33)(H,29,30,31)
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n/an/a 500n/an/an/an/an/an/a



Takeda Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged Aurora B expressed in baculovirus after 5 mins by scintillation counter


Bioorg Med Chem 20: 6171-80 (2012)


Article DOI: 10.1016/j.bmc.2012.08.002
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50391643
PNG
(CHEMBL2148052 | CHEMBL2148053)
Show SMILES CC(C)(C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c12)S(C)(=O)=O
Show InChI InChI=1S/C25H25Cl2N5O4S/c1-25(2,37(3,34)35)24(33)28-10-12-32-11-9-20-22(32)23(30-15-29-20)31-17-7-8-21(19(27)14-17)36-18-6-4-5-16(26)13-18/h4-9,11,13-15H,10,12H2,1-3H3,(H,28,33)(H,29,30,31)
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n/an/a 980n/an/an/an/an/an/a



Takeda Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged MEK1 after 5 mins by scintillation counter


Bioorg Med Chem 20: 6171-80 (2012)


Article DOI: 10.1016/j.bmc.2012.08.002
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50391643
PNG
(CHEMBL2148052 | CHEMBL2148053)
Show SMILES CC(C)(C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c12)S(C)(=O)=O
Show InChI InChI=1S/C25H25Cl2N5O4S/c1-25(2,37(3,34)35)24(33)28-10-12-32-11-9-20-22(32)23(30-15-29-20)31-17-7-8-21(19(27)14-17)36-18-6-4-5-16(26)13-18/h4-9,11,13-15H,10,12H2,1-3H3,(H,28,33)(H,29,30,31)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of LCK after 5 mins


Bioorg Med Chem 20: 6171-80 (2012)


Article DOI: 10.1016/j.bmc.2012.08.002
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50391643
PNG
(CHEMBL2148052 | CHEMBL2148053)
Show SMILES CC(C)(C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c12)S(C)(=O)=O
Show InChI InChI=1S/C25H25Cl2N5O4S/c1-25(2,37(3,34)35)24(33)28-10-12-32-11-9-20-22(32)23(30-15-29-20)31-17-7-8-21(19(27)14-17)36-18-6-4-5-16(26)13-18/h4-9,11,13-15H,10,12H2,1-3H3,(H,28,33)(H,29,30,31)
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n/an/a 3.30E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of LYN B after 5 mins


Bioorg Med Chem 20: 6171-80 (2012)


Article DOI: 10.1016/j.bmc.2012.08.002
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50391643
PNG
(CHEMBL2148052 | CHEMBL2148053)
Show SMILES CC(C)(C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c12)S(C)(=O)=O
Show InChI InChI=1S/C25H25Cl2N5O4S/c1-25(2,37(3,34)35)24(33)28-10-12-32-11-9-20-22(32)23(30-15-29-20)31-17-7-8-21(19(27)14-17)36-18-6-4-5-16(26)13-18/h4-9,11,13-15H,10,12H2,1-3H3,(H,28,33)(H,29,30,31)
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n/an/a 3.60E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of LYN A after 5 mins


Bioorg Med Chem 20: 6171-80 (2012)


Article DOI: 10.1016/j.bmc.2012.08.002
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50391643
PNG
(CHEMBL2148052 | CHEMBL2148053)
Show SMILES CC(C)(C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c12)S(C)(=O)=O
Show InChI InChI=1S/C25H25Cl2N5O4S/c1-25(2,37(3,34)35)24(33)28-10-12-32-11-9-20-22(32)23(30-15-29-20)31-17-7-8-21(19(27)14-17)36-18-6-4-5-16(26)13-18/h4-9,11,13-15H,10,12H2,1-3H3,(H,28,33)(H,29,30,31)
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n/an/a 3.90E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of c-Met after 5 mins


Bioorg Med Chem 20: 6171-80 (2012)


Article DOI: 10.1016/j.bmc.2012.08.002
More data for this
Ligand-Target Pair
Tyrosine-protein kinase CSK


(Homo sapiens (Human))
BDBM50391643
PNG
(CHEMBL2148052 | CHEMBL2148053)
Show SMILES CC(C)(C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c12)S(C)(=O)=O
Show InChI InChI=1S/C25H25Cl2N5O4S/c1-25(2,37(3,34)35)24(33)28-10-12-32-11-9-20-22(32)23(30-15-29-20)31-17-7-8-21(19(27)14-17)36-18-6-4-5-16(26)13-18/h4-9,11,13-15H,10,12H2,1-3H3,(H,28,33)(H,29,30,31)
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n/an/a 5.10E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of CSK after 5 mins


Bioorg Med Chem 20: 6171-80 (2012)


Article DOI: 10.1016/j.bmc.2012.08.002
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50391643
PNG
(CHEMBL2148052 | CHEMBL2148053)
Show SMILES CC(C)(C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c12)S(C)(=O)=O
Show InChI InChI=1S/C25H25Cl2N5O4S/c1-25(2,37(3,34)35)24(33)28-10-12-32-11-9-20-22(32)23(30-15-29-20)31-17-7-8-21(19(27)14-17)36-18-6-4-5-16(26)13-18/h4-9,11,13-15H,10,12H2,1-3H3,(H,28,33)(H,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 full length N-terminal FLAG-tagged FAK expressed in baculovirus after 5 mins


Bioorg Med Chem 20: 6171-80 (2012)


Article DOI: 10.1016/j.bmc.2012.08.002
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50391643
PNG
(CHEMBL2148052 | CHEMBL2148053)
Show SMILES CC(C)(C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c12)S(C)(=O)=O
Show InChI InChI=1S/C25H25Cl2N5O4S/c1-25(2,37(3,34)35)24(33)28-10-12-32-11-9-20-22(32)23(30-15-29-20)31-17-7-8-21(19(27)14-17)36-18-6-4-5-16(26)13-18/h4-9,11,13-15H,10,12H2,1-3H3,(H,28,33)(H,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 IGF-1R after 5 mins


Bioorg Med Chem 20: 6171-80 (2012)


Article DOI: 10.1016/j.bmc.2012.08.002
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50391643
PNG
(CHEMBL2148052 | CHEMBL2148053)
Show SMILES CC(C)(C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c12)S(C)(=O)=O
Show InChI InChI=1S/C25H25Cl2N5O4S/c1-25(2,37(3,34)35)24(33)28-10-12-32-11-9-20-22(32)23(30-15-29-20)31-17-7-8-21(19(27)14-17)36-18-6-4-5-16(26)13-18/h4-9,11,13-15H,10,12H2,1-3H3,(H,28,33)(H,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 expressed in baculovirus after 5 mins by scintillation counter


Bioorg Med Chem 20: 6171-80 (2012)


Article DOI: 10.1016/j.bmc.2012.08.002
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50391643
PNG
(CHEMBL2148052 | CHEMBL2148053)
Show SMILES CC(C)(C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c12)S(C)(=O)=O
Show InChI InChI=1S/C25H25Cl2N5O4S/c1-25(2,37(3,34)35)24(33)28-10-12-32-11-9-20-22(32)23(30-15-29-20)31-17-7-8-21(19(27)14-17)36-18-6-4-5-16(26)13-18/h4-9,11,13-15H,10,12H2,1-3H3,(H,28,33)(H,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 after 5 mins


Bioorg Med Chem 20: 6171-80 (2012)


Article DOI: 10.1016/j.bmc.2012.08.002
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM50391643
PNG
(CHEMBL2148052 | CHEMBL2148053)
Show SMILES CC(C)(C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c12)S(C)(=O)=O
Show InChI InChI=1S/C25H25Cl2N5O4S/c1-25(2,37(3,34)35)24(33)28-10-12-32-11-9-20-22(32)23(30-15-29-20)31-17-7-8-21(19(27)14-17)36-18-6-4-5-16(26)13-18/h4-9,11,13-15H,10,12H2,1-3H3,(H,28,33)(H,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 after 5 mins


Bioorg Med Chem 20: 6171-80 (2012)


Article DOI: 10.1016/j.bmc.2012.08.002
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))
BDBM50391643
PNG
(CHEMBL2148052 | CHEMBL2148053)
Show SMILES CC(C)(C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c12)S(C)(=O)=O
Show InChI InChI=1S/C25H25Cl2N5O4S/c1-25(2,37(3,34)35)24(33)28-10-12-32-11-9-20-22(32)23(30-15-29-20)31-17-7-8-21(19(27)14-17)36-18-6-4-5-16(26)13-18/h4-9,11,13-15H,10,12H2,1-3H3,(H,28,33)(H,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 expressed in baculovirus after 5 mins


Bioorg Med Chem 20: 6171-80 (2012)


Article DOI: 10.1016/j.bmc.2012.08.002
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50391643
PNG
(CHEMBL2148052 | CHEMBL2148053)
Show SMILES CC(C)(C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c12)S(C)(=O)=O
Show InChI InChI=1S/C25H25Cl2N5O4S/c1-25(2,37(3,34)35)24(33)28-10-12-32-11-9-20-22(32)23(30-15-29-20)31-17-7-8-21(19(27)14-17)36-18-6-4-5-16(26)13-18/h4-9,11,13-15H,10,12H2,1-3H3,(H,28,33)(H,29,30,31)
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Takeda Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of VEGFR1 after 5 mins


Bioorg Med Chem 20: 6171-80 (2012)


Article DOI: 10.1016/j.bmc.2012.08.002
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM50391643
PNG
(CHEMBL2148052 | CHEMBL2148053)
Show SMILES CC(C)(C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c12)S(C)(=O)=O
Show InChI InChI=1S/C25H25Cl2N5O4S/c1-25(2,37(3,34)35)24(33)28-10-12-32-11-9-20-22(32)23(30-15-29-20)31-17-7-8-21(19(27)14-17)36-18-6-4-5-16(26)13-18/h4-9,11,13-15H,10,12H2,1-3H3,(H,28,33)(H,29,30,31)
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Takeda Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of full length N-terminal FLAG-tagged BMX expressed in baculovirus after 5 mins


Bioorg Med Chem 20: 6171-80 (2012)


Article DOI: 10.1016/j.bmc.2012.08.002
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50391643
PNG
(CHEMBL2148052 | CHEMBL2148053)
Show SMILES CC(C)(C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c12)S(C)(=O)=O
Show InChI InChI=1S/C25H25Cl2N5O4S/c1-25(2,37(3,34)35)24(33)28-10-12-32-11-9-20-22(32)23(30-15-29-20)31-17-7-8-21(19(27)14-17)36-18-6-4-5-16(26)13-18/h4-9,11,13-15H,10,12H2,1-3H3,(H,28,33)(H,29,30,31)
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Takeda Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of ZAP70 after 5 mins


Bioorg Med Chem 20: 6171-80 (2012)


Article DOI: 10.1016/j.bmc.2012.08.002
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50391643
PNG
(CHEMBL2148052 | CHEMBL2148053)
Show SMILES CC(C)(C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c12)S(C)(=O)=O
Show InChI InChI=1S/C25H25Cl2N5O4S/c1-25(2,37(3,34)35)24(33)28-10-12-32-11-9-20-22(32)23(30-15-29-20)31-17-7-8-21(19(27)14-17)36-18-6-4-5-16(26)13-18/h4-9,11,13-15H,10,12H2,1-3H3,(H,28,33)(H,29,30,31)
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Takeda Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha after 5 mins


Bioorg Med Chem 20: 6171-80 (2012)


Article DOI: 10.1016/j.bmc.2012.08.002
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50391643
PNG
(CHEMBL2148052 | CHEMBL2148053)
Show SMILES CC(C)(C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c12)S(C)(=O)=O
Show InChI InChI=1S/C25H25Cl2N5O4S/c1-25(2,37(3,34)35)24(33)28-10-12-32-11-9-20-22(32)23(30-15-29-20)31-17-7-8-21(19(27)14-17)36-18-6-4-5-16(26)13-18/h4-9,11,13-15H,10,12H2,1-3H3,(H,28,33)(H,29,30,31)
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Takeda Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of Src after 5 mins


Bioorg Med Chem 20: 6171-80 (2012)


Article DOI: 10.1016/j.bmc.2012.08.002
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (Human))
BDBM50391643
PNG
(CHEMBL2148052 | CHEMBL2148053)
Show SMILES CC(C)(C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c12)S(C)(=O)=O
Show InChI InChI=1S/C25H25Cl2N5O4S/c1-25(2,37(3,34)35)24(33)28-10-12-32-11-9-20-22(32)23(30-15-29-20)31-17-7-8-21(19(27)14-17)36-18-6-4-5-16(26)13-18/h4-9,11,13-15H,10,12H2,1-3H3,(H,28,33)(H,29,30,31)
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Takeda Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of C-terminal FLAG-tagged IKKbeta expressed in baculovirus after 5 mins by scintillation counter


Bioorg Med Chem 20: 6171-80 (2012)


Article DOI: 10.1016/j.bmc.2012.08.002
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50391643
PNG
(CHEMBL2148052 | CHEMBL2148053)
Show SMILES CC(C)(C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c12)S(C)(=O)=O
Show InChI InChI=1S/C25H25Cl2N5O4S/c1-25(2,37(3,34)35)24(33)28-10-12-32-11-9-20-22(32)23(30-15-29-20)31-17-7-8-21(19(27)14-17)36-18-6-4-5-16(26)13-18/h4-9,11,13-15H,10,12H2,1-3H3,(H,28,33)(H,29,30,31)
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Takeda Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged PLK1 expressed in baculovirus after 5 mins by scintillation counter


Bioorg Med Chem 20: 6171-80 (2012)


Article DOI: 10.1016/j.bmc.2012.08.002
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50391643
PNG
(CHEMBL2148052 | CHEMBL2148053)
Show SMILES CC(C)(C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c12)S(C)(=O)=O
Show InChI InChI=1S/C25H25Cl2N5O4S/c1-25(2,37(3,34)35)24(33)28-10-12-32-11-9-20-22(32)23(30-15-29-20)31-17-7-8-21(19(27)14-17)36-18-6-4-5-16(26)13-18/h4-9,11,13-15H,10,12H2,1-3H3,(H,28,33)(H,29,30,31)
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Takeda Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged B-raf expressed in baculovirus after 5 mins by scintillation counter


Bioorg Med Chem 20: 6171-80 (2012)


Article DOI: 10.1016/j.bmc.2012.08.002
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50391643
PNG
(CHEMBL2148052 | CHEMBL2148053)
Show SMILES CC(C)(C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c12)S(C)(=O)=O
Show InChI InChI=1S/C25H25Cl2N5O4S/c1-25(2,37(3,34)35)24(33)28-10-12-32-11-9-20-22(32)23(30-15-29-20)31-17-7-8-21(19(27)14-17)36-18-6-4-5-16(26)13-18/h4-9,11,13-15H,10,12H2,1-3H3,(H,28,33)(H,29,30,31)
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Takeda Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 after 5 min


Bioorg Med Chem 20: 6171-80 (2012)


Article DOI: 10.1016/j.bmc.2012.08.002
More data for this
Ligand-Target Pair
Apoptosis Signal-regulating Kinase 1 (ASK1)


(Homo sapiens (Human))
BDBM50391643
PNG
(CHEMBL2148052 | CHEMBL2148053)
Show SMILES CC(C)(C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c12)S(C)(=O)=O
Show InChI InChI=1S/C25H25Cl2N5O4S/c1-25(2,37(3,34)35)24(33)28-10-12-32-11-9-20-22(32)23(30-15-29-20)31-17-7-8-21(19(27)14-17)36-18-6-4-5-16(26)13-18/h4-9,11,13-15H,10,12H2,1-3H3,(H,28,33)(H,29,30,31)
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Takeda Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged ASK1 expressed in baculovirus after 5 mins by scintillation counter


Bioorg Med Chem 20: 6171-80 (2012)


Article DOI: 10.1016/j.bmc.2012.08.002
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50391643
PNG
(CHEMBL2148052 | CHEMBL2148053)
Show SMILES CC(C)(C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c12)S(C)(=O)=O
Show InChI InChI=1S/C25H25Cl2N5O4S/c1-25(2,37(3,34)35)24(33)28-10-12-32-11-9-20-22(32)23(30-15-29-20)31-17-7-8-21(19(27)14-17)36-18-6-4-5-16(26)13-18/h4-9,11,13-15H,10,12H2,1-3H3,(H,28,33)(H,29,30,31)
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Takeda Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta after 5 mins


Bioorg Med Chem 20: 6171-80 (2012)


Article DOI: 10.1016/j.bmc.2012.08.002
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 1


(Homo sapiens (Human))
BDBM50391643
PNG
(CHEMBL2148052 | CHEMBL2148053)
Show SMILES CC(C)(C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c12)S(C)(=O)=O
Show InChI InChI=1S/C25H25Cl2N5O4S/c1-25(2,37(3,34)35)24(33)28-10-12-32-11-9-20-22(32)23(30-15-29-20)31-17-7-8-21(19(27)14-17)36-18-6-4-5-16(26)13-18/h4-9,11,13-15H,10,12H2,1-3H3,(H,28,33)(H,29,30,31)
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Takeda Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of C-terminal FLAG-tagged MEKK expressed in baculovirus after 5 mins by scintillation counter


Bioorg Med Chem 20: 6171-80 (2012)


Article DOI: 10.1016/j.bmc.2012.08.002
More data for this
Ligand-Target Pair
TAK1/TAB1


(Homo sapiens (Human))
BDBM50391643
PNG
(CHEMBL2148052 | CHEMBL2148053)
Show SMILES CC(C)(C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c12)S(C)(=O)=O
Show InChI InChI=1S/C25H25Cl2N5O4S/c1-25(2,37(3,34)35)24(33)28-10-12-32-11-9-20-22(32)23(30-15-29-20)31-17-7-8-21(19(27)14-17)36-18-6-4-5-16(26)13-18/h4-9,11,13-15H,10,12H2,1-3H3,(H,28,33)(H,29,30,31)
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Takeda Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged TAK1 expressed in baculovirus after 5 mins by scintillation counter


Bioorg Med Chem 20: 6171-80 (2012)


Article DOI: 10.1016/j.bmc.2012.08.002
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50391643
PNG
(CHEMBL2148052 | CHEMBL2148053)
Show SMILES CC(C)(C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c12)S(C)(=O)=O
Show InChI InChI=1S/C25H25Cl2N5O4S/c1-25(2,37(3,34)35)24(33)28-10-12-32-11-9-20-22(32)23(30-15-29-20)31-17-7-8-21(19(27)14-17)36-18-6-4-5-16(26)13-18/h4-9,11,13-15H,10,12H2,1-3H3,(H,28,33)(H,29,30,31)
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Takeda Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged JNK1 expressed in baculovirus after 5 mins by scintillation counter


Bioorg Med Chem 20: 6171-80 (2012)


Article DOI: 10.1016/j.bmc.2012.08.002
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50391643
PNG
(CHEMBL2148052 | CHEMBL2148053)
Show SMILES CC(C)(C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c12)S(C)(=O)=O
Show InChI InChI=1S/C25H25Cl2N5O4S/c1-25(2,37(3,34)35)24(33)28-10-12-32-11-9-20-22(32)23(30-15-29-20)31-17-7-8-21(19(27)14-17)36-18-6-4-5-16(26)13-18/h4-9,11,13-15H,10,12H2,1-3H3,(H,28,33)(H,29,30,31)
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Takeda Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged PKCtheta expressed in baculovirus after 5 mins by scintillation counter


Bioorg Med Chem 20: 6171-80 (2012)


Article DOI: 10.1016/j.bmc.2012.08.002
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 5


(Homo sapiens (Human))
BDBM50391643
PNG
(CHEMBL2148052 | CHEMBL2148053)
Show SMILES CC(C)(C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c12)S(C)(=O)=O
Show InChI InChI=1S/C25H25Cl2N5O4S/c1-25(2,37(3,34)35)24(33)28-10-12-32-11-9-20-22(32)23(30-15-29-20)31-17-7-8-21(19(27)14-17)36-18-6-4-5-16(26)13-18/h4-9,11,13-15H,10,12H2,1-3H3,(H,28,33)(H,29,30,31)
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Takeda Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged MEK5 expressed in baculovirus after 5 mins by scintillation counter


Bioorg Med Chem 20: 6171-80 (2012)


Article DOI: 10.1016/j.bmc.2012.08.002
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50391643
PNG
(CHEMBL2148052 | CHEMBL2148053)
Show SMILES CC(C)(C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c12)S(C)(=O)=O
Show InChI InChI=1S/C25H25Cl2N5O4S/c1-25(2,37(3,34)35)24(33)28-10-12-32-11-9-20-22(32)23(30-15-29-20)31-17-7-8-21(19(27)14-17)36-18-6-4-5-16(26)13-18/h4-9,11,13-15H,10,12H2,1-3H3,(H,28,33)(H,29,30,31)
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Takeda Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged TTK expressed in baculovirus after 5 mins by scintillation counter


Bioorg Med Chem 20: 6171-80 (2012)


Article DOI: 10.1016/j.bmc.2012.08.002
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50391643
PNG
(CHEMBL2148052 | CHEMBL2148053)
Show SMILES CC(C)(C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c12)S(C)(=O)=O
Show InChI InChI=1S/C25H25Cl2N5O4S/c1-25(2,37(3,34)35)24(33)28-10-12-32-11-9-20-22(32)23(30-15-29-20)31-17-7-8-21(19(27)14-17)36-18-6-4-5-16(26)13-18/h4-9,11,13-15H,10,12H2,1-3H3,(H,28,33)(H,29,30,31)
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Takeda Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged ERK1 expressed in baculovirus after 5 mins by scintillation counter


Bioorg Med Chem 20: 6171-80 (2012)


Article DOI: 10.1016/j.bmc.2012.08.002
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50391643
PNG
(CHEMBL2148052 | CHEMBL2148053)
Show SMILES CC(C)(C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c12)S(C)(=O)=O
Show InChI InChI=1S/C25H25Cl2N5O4S/c1-25(2,37(3,34)35)24(33)28-10-12-32-11-9-20-22(32)23(30-15-29-20)31-17-7-8-21(19(27)14-17)36-18-6-4-5-16(26)13-18/h4-9,11,13-15H,10,12H2,1-3H3,(H,28,33)(H,29,30,31)
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Takeda Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged p38alpha expressed in baculovirus after 5 mins by scintillation counter


Bioorg Med Chem 20: 6171-80 (2012)


Article DOI: 10.1016/j.bmc.2012.08.002
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50391643
PNG
(CHEMBL2148052 | CHEMBL2148053)
Show SMILES CC(C)(C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c12)S(C)(=O)=O
Show InChI InChI=1S/C25H25Cl2N5O4S/c1-25(2,37(3,34)35)24(33)28-10-12-32-11-9-20-22(32)23(30-15-29-20)31-17-7-8-21(19(27)14-17)36-18-6-4-5-16(26)13-18/h4-9,11,13-15H,10,12H2,1-3H3,(H,28,33)(H,29,30,31)
PDB
MMDB

KEGG

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UniChem
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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
Inhibition of INSR after 5 mins


Bioorg Med Chem 20: 6171-80 (2012)


Article DOI: 10.1016/j.bmc.2012.08.002
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))
BDBM50391643
PNG
(CHEMBL2148052 | CHEMBL2148053)
Show SMILES CC(C)(C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c12)S(C)(=O)=O
Show InChI InChI=1S/C25H25Cl2N5O4S/c1-25(2,37(3,34)35)24(33)28-10-12-32-11-9-20-22(32)23(30-15-29-20)31-17-7-8-21(19(27)14-17)36-18-6-4-5-16(26)13-18/h4-9,11,13-15H,10,12H2,1-3H3,(H,28,33)(H,29,30,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of TIE2 after 5 mins


Bioorg Med Chem 20: 6171-80 (2012)


Article DOI: 10.1016/j.bmc.2012.08.002
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%