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PDB code 4EBW

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 14 hits 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/vascular endothelial growth factor receptor 3

  (276/276 = 100%)
(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 1.00E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
ATP-noncompetitive inhibition of human unphosphorylated FAK kinase domain (411 to 686) using Poly-(GT)-biotin as substrate incubated for 60 mins prio...


Eur J Med Chem 61: 49-60 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3

  (276/276 = 100%)
(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 1.30E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
ATP-noncompetitive inhibition of human unphosphorylated FAK kinase domain (411 to 686) using Poly-(GT)-biotin as substrate incubated for 60 mins prio...


Eur J Med Chem 61: 49-60 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3

  (276/276 = 100%)
(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 1.60E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
ATP-noncompetitive inhibition of human unphosphorylated FAK kinase domain (411 to 686) using Poly-(GT)-biotin as substrate incubated for 5 mins prior...


Eur J Med Chem 61: 49-60 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3

  (276/276 = 100%)
(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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3

  (276/276 = 100%)
(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 3.00E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
ATP-noncompetitive inhibition of human unphosphorylated FAK kinase domain (411 to 686) using Poly-(GT)-biotin as substrate incubated for 5 mins prior...


Eur J Med Chem 61: 49-60 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3

  (276/276 = 100%)
(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 3.20E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human FLAG-tagged unphosphorylated full length FAK expressed in baculovirus expression system incubated for 60 mins prior to 1000 uM of...


Eur J Med Chem 61: 49-60 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3

  (276/276 = 100%)
(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 3.20E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human FLAG-tagged unphosphorylated full length FAK expressed in baculovirus expression system incubated for 60 mins prior to 0.5 uM of ...


Eur J Med Chem 61: 49-60 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3

  (276/276 = 100%)
(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 8.70E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human FAK using [gamma-33P]ATP


Eur J Med Chem 61: 49-60 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3

  (276/276 = 100%)
(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>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human FLAG-tagged unphosphorylated full length FAK expressed in baculovirus expression system incubated for 5 mins prior to 1000 uM of ...


Eur J Med Chem 61: 49-60 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3

  (276/276 = 100%)
(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>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human FLAG-tagged unphosphorylated full length FAK expressed in baculovirus expression system incubated for 5 mins prior to 0.5 uM ATP ...


Eur J Med Chem 61: 49-60 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3

  (276/276 = 100%)
(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>3.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged phosphorylated full length FAK incubated for 60 mins prior to 0.5 uM of ATP addition by HTRF analysis


Eur J Med Chem 61: 49-60 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3

  (276/276 = 100%)
(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>3.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged phosphorylated full length FAK incubated for 5 mins prior to 1000 uM of ATP addition by HTRF analysis


Eur J Med Chem 61: 49-60 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3

  (276/276 = 100%)
(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>3.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged phosphorylated full length FAK incubated for 60 mins prior to 1000 uM of ATP addition by HTRF analysis


Eur J Med Chem 61: 49-60 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3

  (276/276 = 100%)
(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>3.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged phosphorylated full length FAK incubated for 5 mins prior to 0.5 uM of ATP addition by HTRF analysis


Eur J Med Chem 61: 49-60 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output