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Compile Data Set for Download or QSAR

Found 10 hits of ic50 for monomerid = 50430287   
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))
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))
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))
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)
RAC-alpha serine/threonine-protein kinase


(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
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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n/an/a>1.00E+4n/an/an/an/an/an/a



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
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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n/an/a>1.00E+4n/an/an/an/an/an/a



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
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
Protein-tyrosine kinase 2-beta


(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 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
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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n/an/a>1.00E+4n/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
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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n/an/a>1.00E+4n/an/an/an/an/an/a



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