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PubMed code 17395594

Compile data set for download or QSAR
Found 10 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))
BDBM50269948
PNG
(6-(4-(3-(methylsulfonyl)benzylamino)-5-(trifluorom...)
Show SMILES CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4NC(=O)CCc4c3)ncc2C(F)(F)F)c1
Show InChI InChI=1S/C22H20F3N5O3S/c1-34(32,33)16-4-2-3-13(9-16)11-26-20-17(22(23,24)25)12-27-21(30-20)28-15-6-7-18-14(10-15)5-8-19(31)29-18/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,29,31)(H2,26,27,28,30)
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PubMed
n/an/a 4n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin)


J Biol Chem 282: 14845-52 (2007)


Article DOI: 10.1074/jbc.M606695200
BindingDB Entry DOI: 10.7270/Q2J67GQH
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50269948
PNG
(6-(4-(3-(methylsulfonyl)benzylamino)-5-(trifluorom...)
Show SMILES CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4NC(=O)CCc4c3)ncc2C(F)(F)F)c1
Show InChI InChI=1S/C22H20F3N5O3S/c1-34(32,33)16-4-2-3-13(9-16)11-26-20-17(22(23,24)25)12-27-21(30-20)28-15-6-7-18-14(10-15)5-8-19(31)29-18/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,29,31)(H2,26,27,28,30)
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PubMed
n/an/a 11n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of FAK Tyr397 phosphorylation in human A431 cells by ELISA


J Biol Chem 282: 14845-52 (2007)


Article DOI: 10.1074/jbc.M606695200
BindingDB Entry DOI: 10.7270/Q2J67GQH
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50269948
PNG
(6-(4-(3-(methylsulfonyl)benzylamino)-5-(trifluorom...)
Show SMILES CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4NC(=O)CCc4c3)ncc2C(F)(F)F)c1
Show InChI InChI=1S/C22H20F3N5O3S/c1-34(32,33)16-4-2-3-13(9-16)11-26-20-17(22(23,24)25)12-27-21(30-20)28-15-6-7-18-14(10-15)5-8-19(31)29-18/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,29,31)(H2,26,27,28,30)
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PubMed
n/an/a 30n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of FAK Tyr397 phosphorylation in human FG cells after 60 mins by western blot analysis


J Biol Chem 282: 14845-52 (2007)


Article DOI: 10.1074/jbc.M606695200
BindingDB Entry DOI: 10.7270/Q2J67GQH
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50269948
PNG
(6-(4-(3-(methylsulfonyl)benzylamino)-5-(trifluorom...)
Show SMILES CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4NC(=O)CCc4c3)ncc2C(F)(F)F)c1
Show InChI InChI=1S/C22H20F3N5O3S/c1-34(32,33)16-4-2-3-13(9-16)11-26-20-17(22(23,24)25)12-27-21(30-20)28-15-6-7-18-14(10-15)5-8-19(31)29-18/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,29,31)(H2,26,27,28,30)
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PubMed
n/an/a 50n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of FAK Tyr397 phosphorylation in human SKOV3 cells after 60 mins by western blot analysis


J Biol Chem 282: 14845-52 (2007)


Article DOI: 10.1074/jbc.M606695200
BindingDB Entry DOI: 10.7270/Q2J67GQH
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50269948
PNG
(6-(4-(3-(methylsulfonyl)benzylamino)-5-(trifluorom...)
Show SMILES CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4NC(=O)CCc4c3)ncc2C(F)(F)F)c1
Show InChI InChI=1S/C22H20F3N5O3S/c1-34(32,33)16-4-2-3-13(9-16)11-26-20-17(22(23,24)25)12-27-21(30-20)28-15-6-7-18-14(10-15)5-8-19(31)29-18/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,29,31)(H2,26,27,28,30)
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PubMed
n/an/a 100n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of FAK Tyr397 phosphorylation in human PC3 cells after 60 mins by western blot analysis


J Biol Chem 282: 14845-52 (2007)


Article DOI: 10.1074/jbc.M606695200
BindingDB Entry DOI: 10.7270/Q2J67GQH
More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (Human))
BDBM50269948
PNG
(6-(4-(3-(methylsulfonyl)benzylamino)-5-(trifluorom...)
Show SMILES CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4NC(=O)CCc4c3)ncc2C(F)(F)F)c1
Show InChI InChI=1S/C22H20F3N5O3S/c1-34(32,33)16-4-2-3-13(9-16)11-26-20-17(22(23,24)25)12-27-21(30-20)28-15-6-7-18-14(10-15)5-8-19(31)29-18/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,29,31)(H2,26,27,28,30)
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PubMed
n/an/a 197n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human CDK7/cyclinH/MAT1


J Biol Chem 282: 14845-52 (2007)


Article DOI: 10.1074/jbc.M606695200
BindingDB Entry DOI: 10.7270/Q2J67GQH
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50269948
PNG
(6-(4-(3-(methylsulfonyl)benzylamino)-5-(trifluorom...)
Show SMILES CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4NC(=O)CCc4c3)ncc2C(F)(F)F)c1
Show InChI InChI=1S/C22H20F3N5O3S/c1-34(32,33)16-4-2-3-13(9-16)11-26-20-17(22(23,24)25)12-27-21(30-20)28-15-6-7-18-14(10-15)5-8-19(31)29-18/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,29,31)(H2,26,27,28,30)
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PubMed
n/an/a 300n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of FAK Tyr397 phosphorylation in human L3.6pl cells after 60 mins by western blot analysis


J Biol Chem 282: 14845-52 (2007)


Article DOI: 10.1074/jbc.M606695200
BindingDB Entry DOI: 10.7270/Q2J67GQH
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50269948
PNG
(6-(4-(3-(methylsulfonyl)benzylamino)-5-(trifluorom...)
Show SMILES CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4NC(=O)CCc4c3)ncc2C(F)(F)F)c1
Show InChI InChI=1S/C22H20F3N5O3S/c1-34(32,33)16-4-2-3-13(9-16)11-26-20-17(22(23,24)25)12-27-21(30-20)28-15-6-7-18-14(10-15)5-8-19(31)29-18/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,29,31)(H2,26,27,28,30)
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PubMed
n/an/a 486n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human CDK1/cyclinB


J Biol Chem 282: 14845-52 (2007)


Article DOI: 10.1074/jbc.M606695200
BindingDB Entry DOI: 10.7270/Q2J67GQH
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269948
PNG
(6-(4-(3-(methylsulfonyl)benzylamino)-5-(trifluorom...)
Show SMILES CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4NC(=O)CCc4c3)ncc2C(F)(F)F)c1
Show InChI InChI=1S/C22H20F3N5O3S/c1-34(32,33)16-4-2-3-13(9-16)11-26-20-17(22(23,24)25)12-27-21(30-20)28-15-6-7-18-14(10-15)5-8-19(31)29-18/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,29,31)(H2,26,27,28,30)
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PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human GSK3beta


J Biol Chem 282: 14845-52 (2007)


Article DOI: 10.1074/jbc.M606695200
BindingDB Entry DOI: 10.7270/Q2J67GQH
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM50269948
PNG
(6-(4-(3-(methylsulfonyl)benzylamino)-5-(trifluorom...)
Show SMILES CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4NC(=O)CCc4c3)ncc2C(F)(F)F)c1
Show InChI InChI=1S/C22H20F3N5O3S/c1-34(32,33)16-4-2-3-13(9-16)11-26-20-17(22(23,24)25)12-27-21(30-20)28-15-6-7-18-14(10-15)5-8-19(31)29-18/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,29,31)(H2,26,27,28,30)
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of Pyk2 (unknown origin)


J Biol Chem 282: 14845-52 (2007)


Article DOI: 10.1074/jbc.M606695200
BindingDB Entry DOI: 10.7270/Q2J67GQH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%