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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
PubMed
n/an/a 7n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL




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
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n/an/a 230n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL




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
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n/an/a 340n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL




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
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n/an/a 560n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL




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
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n/an/a 640n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL




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
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n/an/a 870n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL




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
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n/an/a 2.50E+3n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL




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%