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PubMed code 28284808

Compile data set for download or QSAR
Found 7 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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Article
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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(Glu:Tyr)(4:1) as substrate after 1.6 hrs by TR-FRET assay


Bioorg Med Chem Lett 27: 1727-1730 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.072
BindingDB Entry DOI: 10.7270/Q2ZC855F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50236987
PNG
(CHEMBL4097578)
Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCOCC2)nnc1Cl
Show InChI InChI=1S/C22H24ClN7O3/c1-24-21(31)15-5-3-4-6-16(15)25-20-19(23)28-29-22(27-20)26-17-8-7-14(13-18(17)32-2)30-9-11-33-12-10-30/h3-8,13H,9-12H2,1-2H3,(H,24,31)(H2,25,26,27,29)
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Article
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n/an/a 230n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using Ulight-poly(Glu:Tyr)(4:1) as substrate after 1.6 hrs by TR-FRET assay


Bioorg Med Chem Lett 27: 1727-1730 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.072
BindingDB Entry DOI: 10.7270/Q2ZC855F
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50236988
PNG
(CHEMBL4065141)
Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2)N2CCOCC2)nnc1Cl
Show InChI InChI=1S/C21H22ClN7O2/c1-23-20(30)16-4-2-3-5-17(16)25-19-18(22)27-28-21(26-19)24-14-6-8-15(9-7-14)29-10-12-31-13-11-29/h2-9H,10-13H2,1H3,(H,23,30)(H2,24,25,26,28)
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n/an/a 340n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using Ulight-poly(Glu:Tyr)(4:1) as substrate after 1.6 hrs by TR-FRET assay


Bioorg Med Chem Lett 27: 1727-1730 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.072
BindingDB Entry DOI: 10.7270/Q2ZC855F
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50236992
PNG
(CHEMBL4098626)
Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc(CN)cc2)nnc1Cl
Show InChI InChI=1S/C18H18ClN7O/c1-21-17(27)13-4-2-3-5-14(13)23-16-15(19)25-26-18(24-16)22-12-8-6-11(10-20)7-9-12/h2-9H,10,20H2,1H3,(H,21,27)(H2,22,23,24,26)
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n/an/a 560n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using Ulight-poly(Glu:Tyr)(4:1) as substrate after 1.6 hrs by TR-FRET assay


Bioorg Med Chem Lett 27: 1727-1730 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.072
BindingDB Entry DOI: 10.7270/Q2ZC855F
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50236990
PNG
(CHEMBL4080590)
Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2cc(OC)c(OC)c(OC)c2)nnc1Cl
Show InChI InChI=1S/C20H21ClN6O4/c1-22-19(28)12-7-5-6-8-13(12)24-18-17(21)26-27-20(25-18)23-11-9-14(29-2)16(31-4)15(10-11)30-3/h5-10H,1-4H3,(H,22,28)(H2,23,24,25,27)
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n/an/a 640n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using Ulight-poly(Glu:Tyr)(4:1) as substrate after 1.6 hrs by TR-FRET assay


Bioorg Med Chem Lett 27: 1727-1730 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.072
BindingDB Entry DOI: 10.7270/Q2ZC855F
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50236989
PNG
(CHEMBL4092812)
Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2cc(C)c(Cl)cc2OC)nnc1Cl
Show InChI InChI=1S/C19H18Cl2N6O2/c1-10-8-14(15(29-3)9-12(10)20)24-19-25-17(16(21)26-27-19)23-13-7-5-4-6-11(13)18(28)22-2/h4-9H,1-3H3,(H,22,28)(H2,23,24,25,27)
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Article
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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(Glu:Tyr)(4:1) as substrate after 1.6 hrs by TR-FRET assay


Bioorg Med Chem Lett 27: 1727-1730 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.072
BindingDB Entry DOI: 10.7270/Q2ZC855F
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50236991
PNG
(CHEMBL4060227)
Show SMILES COc1cc(Nc2nnc(Cl)c(Nc3cccc(NS(C)(=O)=O)c3)n2)cc(OC)c1OC
Show InChI InChI=1S/C19H21ClN6O5S/c1-29-14-9-13(10-15(30-2)16(14)31-3)22-19-23-18(17(20)24-25-19)21-11-6-5-7-12(8-11)26-32(4,27)28/h5-10,26H,1-4H3,(H2,21,22,23,25)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using Ulight-poly(Glu:Tyr)(4:1) as substrate after 1.6 hrs by TR-FRET assay


Bioorg Med Chem Lett 27: 1727-1730 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.072
BindingDB Entry DOI: 10.7270/Q2ZC855F
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%