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PubMed code 25180654

Compile data set for download or QSAR
Found 29 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))
BDBM50334594
PNG
(2-(5-chloro-2-(2-methoxy-4-morpholinophenylamino)p...)
Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCOCC2)ncc1Cl
Show InChI InChI=1S/C23H25ClN6O3/c1-25-22(31)16-5-3-4-6-18(16)27-21-17(24)14-26-23(29-21)28-19-8-7-15(13-20(19)32-2)30-9-11-33-12-10-30/h3-8,13-14H,9-12H2,1-2H3,(H,25,31)(H2,26,27,28,29)
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n/an/a 7n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using ULight-poly GT as substrate after 1.6 hrs by TR-FRET assay


J Med Chem 58: 237-51 (2015)


Article DOI: 10.1021/jm500784e
BindingDB Entry DOI: 10.7270/Q2B27WZC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Insulin receptor


(Homo sapiens (Human))
BDBM50334594
PNG
(2-(5-chloro-2-(2-methoxy-4-morpholinophenylamino)p...)
Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCOCC2)ncc1Cl
Show InChI InChI=1S/C23H25ClN6O3/c1-25-22(31)16-5-3-4-6-18(16)27-21-17(24)14-26-23(29-21)28-19-8-7-15(13-20(19)32-2)30-9-11-33-12-10-30/h3-8,13-14H,9-12H2,1-2H3,(H,25,31)(H2,26,27,28,29)
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n/an/a 40n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of recombinant insulin receptor (unknown origin)


J Med Chem 58: 237-51 (2015)


Article DOI: 10.1021/jm500784e
BindingDB Entry DOI: 10.7270/Q2B27WZC
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50059148
PNG
(CHEMBL3393280)
Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc(CNC(=O)OC=C)cc2)nc2nccn12
Show InChI InChI=1S/C23H22N8O3/c1-3-34-23(33)26-14-15-8-10-16(11-9-15)27-20-29-21-25-12-13-31(21)22(30-20)28-18-7-5-4-6-17(18)19(32)24-2/h3-13H,1,14H2,2H3,(H,24,32)(H,26,33)(H2,25,27,28,29,30)
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Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using ULight-poly GT as substrate after 1.6 hrs by TR-FRET assay


J Med Chem 58: 237-51 (2015)


Article DOI: 10.1021/jm500784e
BindingDB Entry DOI: 10.7270/Q2B27WZC
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50059144
PNG
(CHEMBL3393284)
Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc(CN)cc2)nc2nccn12
Show InChI InChI=1S/C20H20N8O/c1-22-17(29)15-4-2-3-5-16(15)25-20-27-18(26-19-23-10-11-28(19)20)24-14-8-6-13(12-21)7-9-14/h2-11H,12,21H2,1H3,(H,22,29)(H2,23,24,25,26,27)
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Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using ULight-poly GT as substrate after 1.6 hrs by TR-FRET assay


J Med Chem 58: 237-51 (2015)


Article DOI: 10.1021/jm500784e
BindingDB Entry DOI: 10.7270/Q2B27WZC
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50059167
PNG
(CHEMBL3393287)
Show SMILES CNC(=O)c1ccccc1Cc1nc(Nc2cc(OC)c(OC)c(OC)c2)nc2nccn12
Show InChI InChI=1S/C23H24N6O4/c1-24-21(30)16-8-6-5-7-14(16)11-19-27-22(28-23-25-9-10-29(19)23)26-15-12-17(31-2)20(33-4)18(13-15)32-3/h5-10,12-13H,11H2,1-4H3,(H,24,30)(H,25,26,28)
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Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using ULight-poly GT as substrate after 1.6 hrs by TR-FRET assay


J Med Chem 58: 237-51 (2015)


Article DOI: 10.1021/jm500784e
BindingDB Entry DOI: 10.7270/Q2B27WZC
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50059169
PNG
(CHEMBL3393285)
Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc(CN)cc2)n2ccnc2n1
Show InChI InChI=1S/C20H20N8O/c1-22-17(29)15-4-2-3-5-16(15)25-18-26-19-23-10-11-28(19)20(27-18)24-14-8-6-13(12-21)7-9-14/h2-11H,12,21H2,1H3,(H,22,29)(H2,23,24,25,26,27)
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Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using ULight-poly GT as substrate after 1.6 hrs by TR-FRET assay


J Med Chem 58: 237-51 (2015)


Article DOI: 10.1021/jm500784e
BindingDB Entry DOI: 10.7270/Q2B27WZC
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50059160
PNG
(CHEMBL3393268)
Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2cc(OC)c(OC)c(OC)c2)nc2nccn12
Show InChI InChI=1S/C22H23N7O4/c1-23-19(30)14-7-5-6-8-15(14)26-22-28-20(27-21-24-9-10-29(21)22)25-13-11-16(31-2)18(33-4)17(12-13)32-3/h5-12H,1-4H3,(H,23,30)(H2,24,25,26,27,28)
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Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using ULight-poly GT as substrate after 1.6 hrs by TR-FRET assay


J Med Chem 58: 237-51 (2015)


Article DOI: 10.1021/jm500784e
BindingDB Entry DOI: 10.7270/Q2B27WZC
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50059146
PNG
(CHEMBL3393282)
Show SMILES COC(=O)c1ccccc1Nc1nc(Nc2ccc(CN)cc2)nc2nccn12
Show InChI InChI=1S/C20H19N7O2/c1-29-17(28)15-4-2-3-5-16(15)24-20-26-18(25-19-22-10-11-27(19)20)23-14-8-6-13(12-21)7-9-14/h2-11H,12,21H2,1H3,(H2,22,23,24,25,26)
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Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using ULight-poly GT as substrate after 1.6 hrs by TR-FRET assay


J Med Chem 58: 237-51 (2015)


Article DOI: 10.1021/jm500784e
BindingDB Entry DOI: 10.7270/Q2B27WZC
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50059145
PNG
(CHEMBL3393283)
Show SMILES COC(=O)c1ccccc1Nc1nc(Nc2ccc(CN)cc2)n2ccnc2n1
Show InChI InChI=1S/C20H19N7O2/c1-29-17(28)15-4-2-3-5-16(15)24-18-25-19-22-10-11-27(19)20(26-18)23-14-8-6-13(12-21)7-9-14/h2-11H,12,21H2,1H3,(H2,22,23,24,25,26)
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Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using ULight-poly GT as substrate after 1.6 hrs by TR-FRET assay


J Med Chem 58: 237-51 (2015)


Article DOI: 10.1021/jm500784e
BindingDB Entry DOI: 10.7270/Q2B27WZC
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50059164
PNG
(CHEMBL3393172)
Show SMILES COC(=O)c1ccccc1Nc1nc(Nc2cc(OC)c(OC)c(OC)c2)nc2nccn12
Show InChI InChI=1S/C22H22N6O5/c1-30-16-11-13(12-17(31-2)18(16)32-3)24-20-26-21-23-9-10-28(21)22(27-20)25-15-8-6-5-7-14(15)19(29)33-4/h5-12H,1-4H3,(H2,23,24,25,26,27)
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Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using ULight-poly GT as substrate after 1.6 hrs by TR-FRET assay


J Med Chem 58: 237-51 (2015)


Article DOI: 10.1021/jm500784e
BindingDB Entry DOI: 10.7270/Q2B27WZC
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50059159
PNG
(CHEMBL3393269)
Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2cc(OC)c(OC)c(OC)c2)n2ccnc2n1
Show InChI InChI=1S/C22H23N7O4/c1-23-19(30)14-7-5-6-8-15(14)26-20-27-21-24-9-10-29(21)22(28-20)25-13-11-16(31-2)18(33-4)17(12-13)32-3/h5-12H,1-4H3,(H,23,30)(H2,24,25,26,27,28)
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Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using ULight-poly GT as substrate after 1.6 hrs by TR-FRET assay


J Med Chem 58: 237-51 (2015)


Article DOI: 10.1021/jm500784e
BindingDB Entry DOI: 10.7270/Q2B27WZC
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50059156
PNG
(CHEMBL3393272)
Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCOCC2)nc2nccn12
Show InChI InChI=1S/C24H26N8O3/c1-25-21(33)17-5-3-4-6-18(17)28-24-30-22(29-23-26-9-10-32(23)24)27-19-8-7-16(15-20(19)34-2)31-11-13-35-14-12-31/h3-10,15H,11-14H2,1-2H3,(H,25,33)(H2,26,27,28,29,30)
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Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using ULight-poly GT as substrate after 1.6 hrs by TR-FRET assay


J Med Chem 58: 237-51 (2015)


Article DOI: 10.1021/jm500784e
BindingDB Entry DOI: 10.7270/Q2B27WZC
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50059168
PNG
(CHEMBL3393286)
Show SMILES COC(=O)c1ccccc1Cc1nc(Nc2cc(OC)c(OC)c(OC)c2)nc2nccn12
Show InChI InChI=1S/C23H23N5O5/c1-30-17-12-15(13-18(31-2)20(17)32-3)25-22-26-19(28-10-9-24-23(28)27-22)11-14-7-5-6-8-16(14)21(29)33-4/h5-10,12-13H,11H2,1-4H3,(H,24,25,27)
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Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using ULight-poly GT as substrate after 1.6 hrs by TR-FRET assay


J Med Chem 58: 237-51 (2015)


Article DOI: 10.1021/jm500784e
BindingDB Entry DOI: 10.7270/Q2B27WZC
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50059158
PNG
(CHEMBL3393270)
Show SMILES COC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCOCC2)nc2nccn12
Show InChI InChI=1S/C24H25N7O4/c1-33-20-15-16(30-11-13-35-14-12-30)7-8-19(20)26-22-28-23-25-9-10-31(23)24(29-22)27-18-6-4-3-5-17(18)21(32)34-2/h3-10,15H,11-14H2,1-2H3,(H2,25,26,27,28,29)
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Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using ULight-poly GT as substrate after 1.6 hrs by TR-FRET assay


J Med Chem 58: 237-51 (2015)


Article DOI: 10.1021/jm500784e
BindingDB Entry DOI: 10.7270/Q2B27WZC
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50438033
PNG
(CHEMBL2409605)
Show SMILES CNC(=O)c1ccccc1Nc1ncnc(Nc2cc(OC)c(OC)c(OC)c2)n1
Show InChI InChI=1S/C20H22N6O4/c1-21-18(27)13-7-5-6-8-14(13)25-20-23-11-22-19(26-20)24-12-9-15(28-2)17(30-4)16(10-12)29-3/h5-11H,1-4H3,(H,21,27)(H2,22,23,24,25,26)
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Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using ULight-poly GT as substrate after 1.6 hrs by TR-FRET assay


J Med Chem 58: 237-51 (2015)


Article DOI: 10.1021/jm500784e
BindingDB Entry DOI: 10.7270/Q2B27WZC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50059150
PNG
(CHEMBL3393278)
Show SMILES COC(=O)c1ccccc1Nc1nc(Nc2ccc(CNC(=O)OC=C)cc2)nc2nccn12
Show InChI InChI=1S/C23H21N7O4/c1-3-34-23(32)25-14-15-8-10-16(11-9-15)26-20-28-21-24-12-13-30(21)22(29-20)27-18-7-5-4-6-17(18)19(31)33-2/h3-13H,1,14H2,2H3,(H,25,32)(H2,24,26,27,28,29)
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Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using ULight-poly GT as substrate after 1.6 hrs by TR-FRET assay


J Med Chem 58: 237-51 (2015)


Article DOI: 10.1021/jm500784e
BindingDB Entry DOI: 10.7270/Q2B27WZC
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50059155
PNG
(CHEMBL3393273)
Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCOCC2)n2ccnc2n1
Show InChI InChI=1S/C24H26N8O3/c1-25-21(33)17-5-3-4-6-18(17)27-22-29-23-26-9-10-32(23)24(30-22)28-19-8-7-16(15-20(19)34-2)31-11-13-35-14-12-31/h3-10,15H,11-14H2,1-2H3,(H,25,33)(H2,26,27,28,29,30)
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n/an/a 510n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using ULight-poly GT as substrate after 1.6 hrs by TR-FRET assay


J Med Chem 58: 237-51 (2015)


Article DOI: 10.1021/jm500784e
BindingDB Entry DOI: 10.7270/Q2B27WZC
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50059163
PNG
(CHEMBL3393173)
Show SMILES COC(=O)c1ccccc1Nc1nc(Nc2cc(OC)c(OC)c(OC)c2)n2ccnc2n1
Show InChI InChI=1S/C22H22N6O5/c1-30-16-11-13(12-17(31-2)18(16)32-3)24-22-27-20(26-21-23-9-10-28(21)22)25-15-8-6-5-7-14(15)19(29)33-4/h5-12H,1-4H3,(H2,23,24,25,26,27)
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Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using ULight-poly GT as substrate after 1.6 hrs by TR-FRET assay


J Med Chem 58: 237-51 (2015)


Article DOI: 10.1021/jm500784e
BindingDB Entry DOI: 10.7270/Q2B27WZC
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50059157
PNG
(CHEMBL3393271)
Show SMILES COC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCOCC2)n2ccnc2n1
Show InChI InChI=1S/C24H25N7O4/c1-33-20-15-16(30-11-13-35-14-12-30)7-8-19(20)27-24-29-22(28-23-25-9-10-31(23)24)26-18-6-4-3-5-17(18)21(32)34-2/h3-10,15H,11-14H2,1-2H3,(H2,25,26,27,28,29)
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n/an/a 570n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using ULight-poly GT as substrate after 1.6 hrs by TR-FRET assay


J Med Chem 58: 237-51 (2015)


Article DOI: 10.1021/jm500784e
BindingDB Entry DOI: 10.7270/Q2B27WZC
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50059154
PNG
(CHEMBL3393274)
Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2)C#N)nc2nccn12
Show InChI InChI=1S/C20H16N8O/c1-22-17(29)15-4-2-3-5-16(15)25-20-27-18(26-19-23-10-11-28(19)20)24-14-8-6-13(12-21)7-9-14/h2-11H,1H3,(H,22,29)(H2,23,24,25,26,27)
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n/an/a 710n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using ULight-poly GT as substrate after 1.6 hrs by TR-FRET assay


J Med Chem 58: 237-51 (2015)


Article DOI: 10.1021/jm500784e
BindingDB Entry DOI: 10.7270/Q2B27WZC
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50059166
PNG
(CHEMBL3393288)
Show SMILES COc1cc(Nc2nc(Cc3ccccc3NS(C)(=O)=O)nc3nccn23)cc(OC)c1OC
Show InChI InChI=1S/C22H24N6O5S/c1-31-17-12-15(13-18(32-2)20(17)33-3)24-22-26-19(25-21-23-9-10-28(21)22)11-14-7-5-6-8-16(14)27-34(4,29)30/h5-10,12-13,27H,11H2,1-4H3,(H,23,24,25,26)
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n/an/a 840n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using ULight-poly GT as substrate after 1.6 hrs by TR-FRET assay


J Med Chem 58: 237-51 (2015)


Article DOI: 10.1021/jm500784e
BindingDB Entry DOI: 10.7270/Q2B27WZC
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50059162
PNG
(CHEMBL3393174)
Show SMILES COC(=O)c1cccc(Nc2nc(Nc3cc(OC)c(OC)c(OC)c3)nc3nccn23)c1
Show InChI InChI=1S/C22H22N6O5/c1-30-16-11-15(12-17(31-2)18(16)32-3)24-20-26-21-23-8-9-28(21)22(27-20)25-14-7-5-6-13(10-14)19(29)33-4/h5-12H,1-4H3,(H2,23,24,25,26,27)
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n/an/a 870n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using ULight-poly GT as substrate after 1.6 hrs by TR-FRET assay


J Med Chem 58: 237-51 (2015)


Article DOI: 10.1021/jm500784e
BindingDB Entry DOI: 10.7270/Q2B27WZC
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50059147
PNG
(CHEMBL3393281)
Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc(CNC(=O)OC=C)cc2)n2ccnc2n1
Show InChI InChI=1S/C23H22N8O3/c1-3-34-23(33)26-14-15-8-10-16(11-9-15)27-22-30-20(29-21-25-12-13-31(21)22)28-18-7-5-4-6-17(18)19(32)24-2/h3-13H,1,14H2,2H3,(H,24,32)(H,26,33)(H2,25,27,28,29,30)
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n/an/a 880n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using ULight-poly GT as substrate after 1.6 hrs by TR-FRET assay


J Med Chem 58: 237-51 (2015)


Article DOI: 10.1021/jm500784e
BindingDB Entry DOI: 10.7270/Q2B27WZC
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50059152
PNG
(CHEMBL3393276)
Show SMILES CS(=O)(=O)Nc1ccccc1Nc1nc(Nc2ccc(cc2)C#N)nc2nccn12
Show InChI InChI=1S/C19H16N8O2S/c1-30(28,29)26-16-5-3-2-4-15(16)23-19-25-17(24-18-21-10-11-27(18)19)22-14-8-6-13(12-20)7-9-14/h2-11,26H,1H3,(H2,21,22,23,24,25)
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n/an/a 920n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using ULight-poly GT as substrate after 1.6 hrs by TR-FRET assay


J Med Chem 58: 237-51 (2015)


Article DOI: 10.1021/jm500784e
BindingDB Entry DOI: 10.7270/Q2B27WZC
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50059149
PNG
(CHEMBL3393279)
Show SMILES COC(=O)c1ccccc1Nc1nc(Nc2ccc(CNC(=O)OC=C)cc2)n2ccnc2n1
Show InChI InChI=1S/C23H21N7O4/c1-3-34-23(32)25-14-15-8-10-16(11-9-15)26-22-29-20(28-21-24-12-13-30(21)22)27-18-7-5-4-6-17(18)19(31)33-2/h3-13H,1,14H2,2H3,(H,25,32)(H2,24,26,27,28,29)
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n/an/a 1.05E+3n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using ULight-poly GT as substrate after 1.6 hrs by TR-FRET assay


J Med Chem 58: 237-51 (2015)


Article DOI: 10.1021/jm500784e
BindingDB Entry DOI: 10.7270/Q2B27WZC
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50059153
PNG
(CHEMBL3393275)
Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2)C#N)n2ccnc2n1
Show InChI InChI=1S/C20H16N8O/c1-22-17(29)15-4-2-3-5-16(15)25-18-26-19-23-10-11-28(19)20(27-18)24-14-8-6-13(12-21)7-9-14/h2-11H,1H3,(H,22,29)(H2,23,24,25,26,27)
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n/an/a 1.12E+3n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using ULight-poly GT as substrate after 1.6 hrs by TR-FRET assay


J Med Chem 58: 237-51 (2015)


Article DOI: 10.1021/jm500784e
BindingDB Entry DOI: 10.7270/Q2B27WZC
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50059161
PNG
(CHEMBL3393175)
Show SMILES COC(=O)c1cccc(Nc2nc(Nc3cc(OC)c(OC)c(OC)c3)n3ccnc3n2)c1
Show InChI InChI=1S/C22H22N6O5/c1-30-16-11-15(12-17(31-2)18(16)32-3)25-22-27-20(26-21-23-8-9-28(21)22)24-14-7-5-6-13(10-14)19(29)33-4/h5-12H,1-4H3,(H2,23,24,25,26,27)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using ULight-poly GT as substrate after 1.6 hrs by TR-FRET assay


J Med Chem 58: 237-51 (2015)


Article DOI: 10.1021/jm500784e
BindingDB Entry DOI: 10.7270/Q2B27WZC
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50059151
PNG
(CHEMBL3393277)
Show SMILES CS(=O)(=O)Nc1ccccc1Nc1nc(Nc2ccc(cc2)C#N)n2ccnc2n1
Show InChI InChI=1S/C19H16N8O2S/c1-30(28,29)26-16-5-3-2-4-15(16)23-17-24-18-21-10-11-27(18)19(25-17)22-14-8-6-13(12-20)7-9-14/h2-11,26H,1H3,(H2,21,22,23,24,25)
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n/an/a 1.73E+3n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using ULight-poly GT as substrate after 1.6 hrs by TR-FRET assay


J Med Chem 58: 237-51 (2015)


Article DOI: 10.1021/jm500784e
BindingDB Entry DOI: 10.7270/Q2B27WZC
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50059165
PNG
(CHEMBL3393289)
Show SMILES COc1cc(NC2=Nc3nccn3C(Cc3ccccc3NC(C)=O)N2)cc(OC)c1OC |t:6|
Show InChI InChI=1/C23H26N6O4/c1-14(30)25-17-8-6-5-7-15(17)11-20-27-22(28-23-24-9-10-29(20)23)26-16-12-18(31-2)21(33-4)19(13-16)32-3/h5-10,12-13,20H,11H2,1-4H3,(H,25,30)(H2,24,26,27,28)
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n/an/a 8.91E+3n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using ULight-poly GT as substrate after 1.6 hrs by TR-FRET assay


J Med Chem 58: 237-51 (2015)


Article DOI: 10.1021/jm500784e
BindingDB Entry DOI: 10.7270/Q2B27WZC
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%