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PubMed code 23414845

Compile data set for download or QSAR
Found 44 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
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50430288
PNG
(CHEMBL2333435)
Show SMILES CCc1ccc(cc1)-c1ccc2N(C)S(=O)(=O)c3cnn(C)c3-c2c1
Show InChI InChI=1S/C19H19N3O2S/c1-4-13-5-7-14(8-6-13)15-9-10-17-16(11-15)19-18(12-20-21(19)2)25(23,24)22(17)3/h5-12H,4H2,1-3H3
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n/an/a 77n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Allosteric inhibition of FAK (unknown origin) using poly-(GT)-biotin and 0.5 uM of ATP preincubated for 60 mins measured after 1 hr by HTRF assay


Bioorg Med Chem Lett 23: 1779-85 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.047
BindingDB Entry DOI: 10.7270/Q26Q1ZK9
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50430292
PNG
(CHEMBL2333441)
Show SMILES CN1c2ccc(NCc3ccc(F)cc3)cc2-c2c(cnn2C)S1(=O)=O
Show InChI InChI=1S/C18H17FN4O2S/c1-22-18-15-9-14(20-10-12-3-5-13(19)6-4-12)7-8-16(15)23(2)26(24,25)17(18)11-21-22/h3-9,11,20H,10H2,1-2H3
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n/an/a 320n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Allosteric inhibition of FAK (unknown origin) using poly-(GT)-biotin and 0.5 uM of ATP preincubated for 60 mins measured after 1 hr by HTRF assay


Bioorg Med Chem Lett 23: 1779-85 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.047
BindingDB Entry DOI: 10.7270/Q26Q1ZK9
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50430288
PNG
(CHEMBL2333435)
Show SMILES CCc1ccc(cc1)-c1ccc2N(C)S(=O)(=O)c3cnn(C)c3-c2c1
Show InChI InChI=1S/C19H19N3O2S/c1-4-13-5-7-14(8-6-13)15-9-10-17-16(11-15)19-18(12-20-21(19)2)25(23,24)22(17)3/h5-12H,4H2,1-3H3
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n/an/a 420n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Allosteric inhibition of FAK (unknown origin) using poly-(GT)-biotin and 0.5 uM of ATP preincubated for 5 mins measured after 1 hr by HTRF assay


Bioorg Med Chem Lett 23: 1779-85 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.047
BindingDB Entry DOI: 10.7270/Q26Q1ZK9
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50430298
PNG
(CHEMBL2333434)
Show SMILES CN1c2ccc(cc2-c2n[nH]cc2S1(=O)=O)-c1ccc(cc1)C(=O)N1CCC(CCO)CC1
Show InChI InChI=1S/C24H26N4O4S/c1-27-21-7-6-19(14-20(21)23-22(15-25-26-23)33(27,31)32)17-2-4-18(5-3-17)24(30)28-11-8-16(9-12-28)10-13-29/h2-7,14-16,29H,8-13H2,1H3,(H,25,26)
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n/an/a 500n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Allosteric inhibition of FAK (unknown origin) using poly-(GT)-biotin and 0.5 uM of ATP preincubated for 60 mins measured after 1 hr by HTRF assay


Bioorg Med Chem Lett 23: 1779-85 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.047
BindingDB Entry DOI: 10.7270/Q26Q1ZK9
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50430287
PNG
(CHEMBL2333444)
Show SMILES CN1c2ccc(NCc3ccc(cc3)C(C)(C)C)cc2-c2c(cnn2C)S1(=O)=O
Show InChI InChI=1S/C22H26N4O2S/c1-22(2,3)16-8-6-15(7-9-16)13-23-17-10-11-19-18(12-17)21-20(14-24-25(21)4)29(27,28)26(19)5/h6-12,14,23H,13H2,1-5H3
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n/an/a 640n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Allosteric inhibition of FAK (unknown origin) using poly-(GT)-biotin and 0.5 uM of ATP preincubated for 60 mins measured after 1 hr by HTRF assay


Bioorg Med Chem Lett 23: 1779-85 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.047
BindingDB Entry DOI: 10.7270/Q26Q1ZK9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50430289
PNG
(CHEMBL2333445)
Show SMILES CCc1ccc(cc1)-c1ccc2N(C)S(=O)(=O)c3c[nH]nc3-c2c1
Show InChI InChI=1S/C18H17N3O2S/c1-3-12-4-6-13(7-5-12)14-8-9-16-15(10-14)18-17(11-19-20-18)24(22,23)21(16)2/h4-11H,3H2,1-2H3,(H,19,20)
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n/an/a 960n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Allosteric inhibition of FAK (unknown origin) using poly-(GT)-biotin and 0.5 uM of ATP preincubated for 60 mins measured after 1 hr by HTRF assay


Bioorg Med Chem Lett 23: 1779-85 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.047
BindingDB Entry DOI: 10.7270/Q26Q1ZK9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50430299
PNG
(CHEMBL2333433)
Show SMILES CN1c2ccc(cc2-c2n[nH]cc2S1(=O)=O)-c1ccc(cc1)C(=O)NCCO
Show InChI InChI=1S/C19H18N4O4S/c1-23-16-7-6-14(10-15(16)18-17(11-21-22-18)28(23,26)27)12-2-4-13(5-3-12)19(25)20-8-9-24/h2-7,10-11,24H,8-9H2,1H3,(H,20,25)(H,21,22)
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n/an/a 990n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Allosteric inhibition of FAK (unknown origin) using poly-(GT)-biotin and 0.5 uM of ATP preincubated for 60 mins measured after 1 hr by HTRF assay


Bioorg Med Chem Lett 23: 1779-85 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.047
BindingDB Entry DOI: 10.7270/Q26Q1ZK9
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50430289
PNG
(CHEMBL2333445)
Show SMILES CCc1ccc(cc1)-c1ccc2N(C)S(=O)(=O)c3c[nH]nc3-c2c1
Show InChI InChI=1S/C18H17N3O2S/c1-3-12-4-6-13(7-5-12)14-8-9-16-15(10-14)18-17(11-19-20-18)24(22,23)21(16)2/h4-11H,3H2,1-2H3,(H,19,20)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Allosteric inhibition of FAK (unknown origin) using poly-(GT)-biotin and 0.5 uM of ATP preincubated for 5 mins measured after 1 hr by HTRF assay


Bioorg Med Chem Lett 23: 1779-85 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.047
BindingDB Entry DOI: 10.7270/Q26Q1ZK9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50430290
PNG
(CHEMBL2333443)
Show SMILES CN1c2ccc(NCc3ccc(Br)cc3)cc2-c2c(cnn2C)S1(=O)=O
Show InChI InChI=1S/C18H17BrN4O2S/c1-22-18-15-9-14(20-10-12-3-5-13(19)6-4-12)7-8-16(15)23(2)26(24,25)17(18)11-21-22/h3-9,11,20H,10H2,1-2H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Allosteric inhibition of FAK (unknown origin) using poly-(GT)-biotin and 0.5 uM of ATP preincubated for 60 mins measured after 1 hr by HTRF assay


Bioorg Med Chem Lett 23: 1779-85 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.047
BindingDB Entry DOI: 10.7270/Q26Q1ZK9
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50430294
PNG
(CHEMBL2333439)
Show SMILES CN1c2ccc(CNc3ccc(F)cc3)cc2-c2c(cnn2C)S1(=O)=O
Show InChI InChI=1S/C18H17FN4O2S/c1-22-18-15-9-12(10-20-14-6-4-13(19)5-7-14)3-8-16(15)23(2)26(24,25)17(18)11-21-22/h3-9,11,20H,10H2,1-2H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Allosteric inhibition of FAK (unknown origin) using poly-(GT)-biotin and 0.5 uM of ATP preincubated for 60 mins measured after 1 hr by HTRF assay


Bioorg Med Chem Lett 23: 1779-85 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.047
BindingDB Entry DOI: 10.7270/Q26Q1ZK9
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50430297
PNG
(CHEMBL2333436)
Show SMILES CCc1ccc(cc1)-c1ccc2N(C)S(=O)(=O)c3cnn(CC)c3-c2c1
Show InChI InChI=1S/C20H21N3O2S/c1-4-14-6-8-15(9-7-14)16-10-11-18-17(12-16)20-19(13-21-23(20)5-2)26(24,25)22(18)3/h6-13H,4-5H2,1-3H3
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n/an/a 2.10E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Allosteric inhibition of FAK (unknown origin) using poly-(GT)-biotin and 0.5 uM of ATP preincubated for 60 mins measured after 1 hr by HTRF assay


Bioorg Med Chem Lett 23: 1779-85 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.047
BindingDB Entry DOI: 10.7270/Q26Q1ZK9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50430287
PNG
(CHEMBL2333444)
Show SMILES CN1c2ccc(NCc3ccc(cc3)C(C)(C)C)cc2-c2c(cnn2C)S1(=O)=O
Show InChI InChI=1S/C22H26N4O2S/c1-22(2,3)16-8-6-15(7-9-16)13-23-17-10-11-19-18(12-17)21-20(14-24-25(21)4)29(27,28)26(19)5/h6-12,14,23H,13H2,1-5H3
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n/an/a 2.20E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Allosteric inhibition of FAK (unknown origin) using poly-(GT)-biotin and 0.5 uM of ATP preincubated for 5 mins measured after 1 hr by HTRF assay


Bioorg Med Chem Lett 23: 1779-85 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.047
BindingDB Entry DOI: 10.7270/Q26Q1ZK9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50430293
PNG
(CHEMBL2333440)
Show SMILES CN1c2ccc(NC(=O)c3ccc(F)cc3)cc2-c2c(cnn2C)S1(=O)=O
Show InChI InChI=1S/C18H15FN4O3S/c1-22-17-14-9-13(21-18(24)11-3-5-12(19)6-4-11)7-8-15(14)23(2)27(25,26)16(17)10-20-22/h3-10H,1-2H3,(H,21,24)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Allosteric inhibition of FAK (unknown origin) using poly-(GT)-biotin and 0.5 uM of ATP preincubated for 60 mins measured after 1 hr by HTRF assay


Bioorg Med Chem Lett 23: 1779-85 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.047
BindingDB Entry DOI: 10.7270/Q26Q1ZK9
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50430289
PNG
(CHEMBL2333445)
Show SMILES CCc1ccc(cc1)-c1ccc2N(C)S(=O)(=O)c3c[nH]nc3-c2c1
Show InChI InChI=1S/C18H17N3O2S/c1-3-12-4-6-13(7-5-12)14-8-9-16-15(10-14)18-17(11-19-20-18)24(22,23)21(16)2/h4-11H,3H2,1-2H3,(H,19,20)
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n/an/a 2.90E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Allosteric inhibition of FAK (unknown origin) using poly-(GT)-biotin and 1000 uM of ATP preincubated for 60 mins measured after 1 hr by HTRF assay


Bioorg Med Chem Lett 23: 1779-85 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.047
BindingDB Entry DOI: 10.7270/Q26Q1ZK9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50430300
PNG
(CHEMBL2333432)
Show SMILES CN1c2ccc(cc2-c2n[nH]cc2S1(=O)=O)-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C17H14N4O3S/c1-21-14-7-6-12(10-2-4-11(5-3-10)17(18)22)8-13(14)16-15(9-19-20-16)25(21,23)24/h2-9H,1H3,(H2,18,22)(H,19,20)
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n/an/a 3.50E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Allosteric inhibition of FAK (unknown origin) using poly-(GT)-biotin and 0.5 uM of ATP preincubated for 60 mins measured after 1 hr by HTRF assay


Bioorg Med Chem Lett 23: 1779-85 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.047
BindingDB Entry DOI: 10.7270/Q26Q1ZK9
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50430291
PNG
(CHEMBL2333442)
Show SMILES CN1c2ccc(Nc3ccc(F)cc3)cc2-c2c(cnn2C)S1(=O)=O
Show InChI InChI=1S/C17H15FN4O2S/c1-21-17-14-9-13(20-12-5-3-11(18)4-6-12)7-8-15(14)22(2)25(23,24)16(17)10-19-21/h3-10,20H,1-2H3
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n/an/a 4.30E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Allosteric inhibition of FAK (unknown origin) using poly-(GT)-biotin and 0.5 uM of ATP preincubated for 60 mins measured after 1 hr by HTRF assay


Bioorg Med Chem Lett 23: 1779-85 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.047
BindingDB Entry DOI: 10.7270/Q26Q1ZK9
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50430289
PNG
(CHEMBL2333445)
Show SMILES CCc1ccc(cc1)-c1ccc2N(C)S(=O)(=O)c3c[nH]nc3-c2c1
Show InChI InChI=1S/C18H17N3O2S/c1-3-12-4-6-13(7-5-12)14-8-9-16-15(10-14)18-17(11-19-20-18)24(22,23)21(16)2/h4-11H,3H2,1-2H3,(H,19,20)
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n/an/a 5.10E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of aurora-B (unknown origin)


Bioorg Med Chem Lett 23: 1779-85 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.047
BindingDB Entry DOI: 10.7270/Q26Q1ZK9
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50430289
PNG
(CHEMBL2333445)
Show SMILES CCc1ccc(cc1)-c1ccc2N(C)S(=O)(=O)c3c[nH]nc3-c2c1
Show InChI InChI=1S/C18H17N3O2S/c1-3-12-4-6-13(7-5-12)14-8-9-16-15(10-14)18-17(11-19-20-18)24(22,23)21(16)2/h4-11H,3H2,1-2H3,(H,19,20)
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n/an/a 6.40E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Allosteric inhibition of FAK (unknown origin) using poly-(GT)-biotin and 1000 uM of ATP preincubated for 60 mins measured after 1 hr by HTRF assay


Bioorg Med Chem Lett 23: 1779-85 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.047
BindingDB Entry DOI: 10.7270/Q26Q1ZK9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50430287
PNG
(CHEMBL2333444)
Show SMILES CN1c2ccc(NCc3ccc(cc3)C(C)(C)C)cc2-c2c(cnn2C)S1(=O)=O
Show InChI InChI=1S/C22H26N4O2S/c1-22(2,3)16-8-6-15(7-9-16)13-23-17-10-11-19-18(12-17)21-20(14-24-25(21)4)29(27,28)26(19)5/h6-12,14,23H,13H2,1-5H3
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n/an/a 7.10E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of intracellular FAK autophosphorylation in human PC3 M-luc cells after 2 hrs


Bioorg Med Chem Lett 23: 1779-85 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.047
BindingDB Entry DOI: 10.7270/Q26Q1ZK9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50430289
PNG
(CHEMBL2333445)
Show SMILES CCc1ccc(cc1)-c1ccc2N(C)S(=O)(=O)c3c[nH]nc3-c2c1
Show InChI InChI=1S/C18H17N3O2S/c1-3-12-4-6-13(7-5-12)14-8-9-16-15(10-14)18-17(11-19-20-18)24(22,23)21(16)2/h4-11H,3H2,1-2H3,(H,19,20)
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n/an/a 8.60E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin)


Bioorg Med Chem Lett 23: 1779-85 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.047
BindingDB Entry DOI: 10.7270/Q26Q1ZK9
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM50430289
PNG
(CHEMBL2333445)
Show SMILES CCc1ccc(cc1)-c1ccc2N(C)S(=O)(=O)c3c[nH]nc3-c2c1
Show InChI InChI=1S/C18H17N3O2S/c1-3-12-4-6-13(7-5-12)14-8-9-16-15(10-14)18-17(11-19-20-18)24(22,23)21(16)2/h4-11H,3H2,1-2H3,(H,19,20)
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n/an/a 9.00E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of Pyk2 (unknown origin)


Bioorg Med Chem Lett 23: 1779-85 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.047
BindingDB Entry DOI: 10.7270/Q26Q1ZK9
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50430289
PNG
(CHEMBL2333445)
Show SMILES CCc1ccc(cc1)-c1ccc2N(C)S(=O)(=O)c3c[nH]nc3-c2c1
Show InChI InChI=1S/C18H17N3O2S/c1-3-12-4-6-13(7-5-12)14-8-9-16-15(10-14)18-17(11-19-20-18)24(22,23)21(16)2/h4-11H,3H2,1-2H3,(H,19,20)
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Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of HER2 (unknown origin)


Bioorg Med Chem Lett 23: 1779-85 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.047
BindingDB Entry DOI: 10.7270/Q26Q1ZK9
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50430288
PNG
(CHEMBL2333435)
Show SMILES CCc1ccc(cc1)-c1ccc2N(C)S(=O)(=O)c3cnn(C)c3-c2c1
Show InChI InChI=1S/C19H19N3O2S/c1-4-13-5-7-14(8-6-13)15-9-10-17-16(11-15)19-18(12-20-21(19)2)25(23,24)22(17)3/h5-12H,4H2,1-3H3
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Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of aurora-B (unknown origin)


Bioorg Med Chem Lett 23: 1779-85 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.047
BindingDB Entry DOI: 10.7270/Q26Q1ZK9
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM50430287
PNG
(CHEMBL2333444)
Show SMILES CN1c2ccc(NCc3ccc(cc3)C(C)(C)C)cc2-c2c(cnn2C)S1(=O)=O
Show InChI InChI=1S/C22H26N4O2S/c1-22(2,3)16-8-6-15(7-9-16)13-23-17-10-11-19-18(12-17)21-20(14-24-25(21)4)29(27,28)26(19)5/h6-12,14,23H,13H2,1-5H3
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Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of Pyk2 (unknown origin)


Bioorg Med Chem Lett 23: 1779-85 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.047
BindingDB Entry DOI: 10.7270/Q26Q1ZK9
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50430288
PNG
(CHEMBL2333435)
Show SMILES CCc1ccc(cc1)-c1ccc2N(C)S(=O)(=O)c3cnn(C)c3-c2c1
Show InChI InChI=1S/C19H19N3O2S/c1-4-13-5-7-14(8-6-13)15-9-10-17-16(11-15)19-18(12-20-21(19)2)25(23,24)22(17)3/h5-12H,4H2,1-3H3
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Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of HER2 (unknown origin)


Bioorg Med Chem Lett 23: 1779-85 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.047
BindingDB Entry DOI: 10.7270/Q26Q1ZK9
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50430288
PNG
(CHEMBL2333435)
Show SMILES CCc1ccc(cc1)-c1ccc2N(C)S(=O)(=O)c3cnn(C)c3-c2c1
Show InChI InChI=1S/C19H19N3O2S/c1-4-13-5-7-14(8-6-13)15-9-10-17-16(11-15)19-18(12-20-21(19)2)25(23,24)22(17)3/h5-12H,4H2,1-3H3
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Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin)


Bioorg Med Chem Lett 23: 1779-85 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.047
BindingDB Entry DOI: 10.7270/Q26Q1ZK9
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50430287
PNG
(CHEMBL2333444)
Show SMILES CN1c2ccc(NCc3ccc(cc3)C(C)(C)C)cc2-c2c(cnn2C)S1(=O)=O
Show InChI InChI=1S/C22H26N4O2S/c1-22(2,3)16-8-6-15(7-9-16)13-23-17-10-11-19-18(12-17)21-20(14-24-25(21)4)29(27,28)26(19)5/h6-12,14,23H,13H2,1-5H3
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Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin)


Bioorg Med Chem Lett 23: 1779-85 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.047
BindingDB Entry DOI: 10.7270/Q26Q1ZK9
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50430287
PNG
(CHEMBL2333444)
Show SMILES CN1c2ccc(NCc3ccc(cc3)C(C)(C)C)cc2-c2c(cnn2C)S1(=O)=O
Show InChI InChI=1S/C22H26N4O2S/c1-22(2,3)16-8-6-15(7-9-16)13-23-17-10-11-19-18(12-17)21-20(14-24-25(21)4)29(27,28)26(19)5/h6-12,14,23H,13H2,1-5H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin)


Bioorg Med Chem Lett 23: 1779-85 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.047
BindingDB Entry DOI: 10.7270/Q26Q1ZK9
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50430289
PNG
(CHEMBL2333445)
Show SMILES CCc1ccc(cc1)-c1ccc2N(C)S(=O)(=O)c3c[nH]nc3-c2c1
Show InChI InChI=1S/C18H17N3O2S/c1-3-12-4-6-13(7-5-12)14-8-9-16-15(10-14)18-17(11-19-20-18)24(22,23)21(16)2/h4-11H,3H2,1-2H3,(H,19,20)
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Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin)


Bioorg Med Chem Lett 23: 1779-85 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.047
BindingDB Entry DOI: 10.7270/Q26Q1ZK9
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50430287
PNG
(CHEMBL2333444)
Show SMILES CN1c2ccc(NCc3ccc(cc3)C(C)(C)C)cc2-c2c(cnn2C)S1(=O)=O
Show InChI InChI=1S/C22H26N4O2S/c1-22(2,3)16-8-6-15(7-9-16)13-23-17-10-11-19-18(12-17)21-20(14-24-25(21)4)29(27,28)26(19)5/h6-12,14,23H,13H2,1-5H3
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Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of aurora-B (unknown origin)


Bioorg Med Chem Lett 23: 1779-85 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.047
BindingDB Entry DOI: 10.7270/Q26Q1ZK9
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50430289
PNG
(CHEMBL2333445)
Show SMILES CCc1ccc(cc1)-c1ccc2N(C)S(=O)(=O)c3c[nH]nc3-c2c1
Show InChI InChI=1S/C18H17N3O2S/c1-3-12-4-6-13(7-5-12)14-8-9-16-15(10-14)18-17(11-19-20-18)24(22,23)21(16)2/h4-11H,3H2,1-2H3,(H,19,20)
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Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of Src (unknown origin)


Bioorg Med Chem Lett 23: 1779-85 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.047
BindingDB Entry DOI: 10.7270/Q26Q1ZK9
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50430288
PNG
(CHEMBL2333435)
Show SMILES CCc1ccc(cc1)-c1ccc2N(C)S(=O)(=O)c3cnn(C)c3-c2c1
Show InChI InChI=1S/C19H19N3O2S/c1-4-13-5-7-14(8-6-13)15-9-10-17-16(11-15)19-18(12-20-21(19)2)25(23,24)22(17)3/h5-12H,4H2,1-3H3
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Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of Src (unknown origin)


Bioorg Med Chem Lett 23: 1779-85 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.047
BindingDB Entry DOI: 10.7270/Q26Q1ZK9
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50430287
PNG
(CHEMBL2333444)
Show SMILES CN1c2ccc(NCc3ccc(cc3)C(C)(C)C)cc2-c2c(cnn2C)S1(=O)=O
Show InChI InChI=1S/C22H26N4O2S/c1-22(2,3)16-8-6-15(7-9-16)13-23-17-10-11-19-18(12-17)21-20(14-24-25(21)4)29(27,28)26(19)5/h6-12,14,23H,13H2,1-5H3
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Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of Src (unknown origin)


Bioorg Med Chem Lett 23: 1779-85 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.047
BindingDB Entry DOI: 10.7270/Q26Q1ZK9
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50430289
PNG
(CHEMBL2333445)
Show SMILES CCc1ccc(cc1)-c1ccc2N(C)S(=O)(=O)c3c[nH]nc3-c2c1
Show InChI InChI=1S/C18H17N3O2S/c1-3-12-4-6-13(7-5-12)14-8-9-16-15(10-14)18-17(11-19-20-18)24(22,23)21(16)2/h4-11H,3H2,1-2H3,(H,19,20)
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Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of Akt1 (unknown origin)


Bioorg Med Chem Lett 23: 1779-85 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.047
BindingDB Entry DOI: 10.7270/Q26Q1ZK9
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50430288
PNG
(CHEMBL2333435)
Show SMILES CCc1ccc(cc1)-c1ccc2N(C)S(=O)(=O)c3cnn(C)c3-c2c1
Show InChI InChI=1S/C19H19N3O2S/c1-4-13-5-7-14(8-6-13)15-9-10-17-16(11-15)19-18(12-20-21(19)2)25(23,24)22(17)3/h5-12H,4H2,1-3H3
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Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of Akt1 (unknown origin)


Bioorg Med Chem Lett 23: 1779-85 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.047
BindingDB Entry DOI: 10.7270/Q26Q1ZK9
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50430287
PNG
(CHEMBL2333444)
Show SMILES CN1c2ccc(NCc3ccc(cc3)C(C)(C)C)cc2-c2c(cnn2C)S1(=O)=O
Show InChI InChI=1S/C22H26N4O2S/c1-22(2,3)16-8-6-15(7-9-16)13-23-17-10-11-19-18(12-17)21-20(14-24-25(21)4)29(27,28)26(19)5/h6-12,14,23H,13H2,1-5H3
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Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of HER2 (unknown origin)


Bioorg Med Chem Lett 23: 1779-85 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.047
BindingDB Entry DOI: 10.7270/Q26Q1ZK9
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50430288
PNG
(CHEMBL2333435)
Show SMILES CCc1ccc(cc1)-c1ccc2N(C)S(=O)(=O)c3cnn(C)c3-c2c1
Show InChI InChI=1S/C19H19N3O2S/c1-4-13-5-7-14(8-6-13)15-9-10-17-16(11-15)19-18(12-20-21(19)2)25(23,24)22(17)3/h5-12H,4H2,1-3H3
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Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin)


Bioorg Med Chem Lett 23: 1779-85 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.047
BindingDB Entry DOI: 10.7270/Q26Q1ZK9
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM50430288
PNG
(CHEMBL2333435)
Show SMILES CCc1ccc(cc1)-c1ccc2N(C)S(=O)(=O)c3cnn(C)c3-c2c1
Show InChI InChI=1S/C19H19N3O2S/c1-4-13-5-7-14(8-6-13)15-9-10-17-16(11-15)19-18(12-20-21(19)2)25(23,24)22(17)3/h5-12H,4H2,1-3H3
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Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of Pyk2 (unknown origin)


Bioorg Med Chem Lett 23: 1779-85 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.047
BindingDB Entry DOI: 10.7270/Q26Q1ZK9
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50430287
PNG
(CHEMBL2333444)
Show SMILES CN1c2ccc(NCc3ccc(cc3)C(C)(C)C)cc2-c2c(cnn2C)S1(=O)=O
Show InChI InChI=1S/C22H26N4O2S/c1-22(2,3)16-8-6-15(7-9-16)13-23-17-10-11-19-18(12-17)21-20(14-24-25(21)4)29(27,28)26(19)5/h6-12,14,23H,13H2,1-5H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of Akt1 (unknown origin)


Bioorg Med Chem Lett 23: 1779-85 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.047
BindingDB Entry DOI: 10.7270/Q26Q1ZK9
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50430292
PNG
(CHEMBL2333441)
Show SMILES CN1c2ccc(NCc3ccc(F)cc3)cc2-c2c(cnn2C)S1(=O)=O
Show InChI InChI=1S/C18H17FN4O2S/c1-22-18-15-9-14(20-10-12-3-5-13(19)6-4-12)7-8-16(15)23(2)26(24,25)17(18)11-21-22/h3-9,11,20H,10H2,1-2H3
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n/an/a 1.90E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of intracellular FAK autophosphorylation in human PC3 M-luc cells after 2 hrs


Bioorg Med Chem Lett 23: 1779-85 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.047
BindingDB Entry DOI: 10.7270/Q26Q1ZK9
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50430295
PNG
(CHEMBL2333438)
Show SMILES CN1c2ccc(cc2-c2c(cnn2C)S1(=O)=O)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C18H15FN4O3S/c1-22-17-14-9-11(18(24)21-13-6-4-12(19)5-7-13)3-8-15(14)23(2)27(25,26)16(17)10-20-22/h3-10H,1-2H3,(H,21,24)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Allosteric inhibition of FAK (unknown origin) using poly-(GT)-biotin and 0.5 uM of ATP preincubated for 60 mins measured after 1 hr by HTRF assay


Bioorg Med Chem Lett 23: 1779-85 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.047
BindingDB Entry DOI: 10.7270/Q26Q1ZK9
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50430291
PNG
(CHEMBL2333442)
Show SMILES CN1c2ccc(Nc3ccc(F)cc3)cc2-c2c(cnn2C)S1(=O)=O
Show InChI InChI=1S/C17H15FN4O2S/c1-21-17-14-9-13(20-12-5-3-11(18)4-6-12)7-8-15(14)22(2)25(23,24)16(17)10-19-21/h3-10,20H,1-2H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of intracellular FAK autophosphorylation in human PC3 M-luc cells after 2 hrs


Bioorg Med Chem Lett 23: 1779-85 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.047
BindingDB Entry DOI: 10.7270/Q26Q1ZK9
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50430290
PNG
(CHEMBL2333443)
Show SMILES CN1c2ccc(NCc3ccc(Br)cc3)cc2-c2c(cnn2C)S1(=O)=O
Show InChI InChI=1S/C18H17BrN4O2S/c1-22-18-15-9-14(20-10-12-3-5-13(19)6-4-12)7-8-16(15)23(2)26(24,25)17(18)11-21-22/h3-9,11,20H,10H2,1-2H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of intracellular FAK autophosphorylation in human PC3 M-luc cells after 2 hrs


Bioorg Med Chem Lett 23: 1779-85 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.047
BindingDB Entry DOI: 10.7270/Q26Q1ZK9
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50430296
PNG
(CHEMBL2333437)
Show SMILES CCc1ccc(cc1)-c1ccc2N(C)S(=O)(=O)c3cn(C)nc3-c2c1
Show InChI InChI=1S/C19H19N3O2S/c1-4-13-5-7-14(8-6-13)15-9-10-17-16(11-15)19-18(12-21(2)20-19)25(23,24)22(17)3/h5-12H,4H2,1-3H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Allosteric inhibition of FAK (unknown origin) using poly-(GT)-biotin and 0.5 uM of ATP preincubated for 60 mins measured after 1 hr by HTRF assay


Bioorg Med Chem Lett 23: 1779-85 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.047
BindingDB Entry DOI: 10.7270/Q26Q1ZK9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%