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PubMed code 27668758

Compile data set for download or QSAR
Found 17 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
Aurora kinase A


(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 4n/an/an/an/an/an/a



Kasetsart University

Curated by ChEMBL


Assay Description
Inhibition of human AURKA


Eur J Med Chem 124: 896-905 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.055
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM192755
PNG
(TG101209)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(C)c(Nc3cccc(c3)S(=O)(=O)NC(C)(C)C)n2)cc1
Show InChI InChI=1S/C26H35N7O2S/c1-19-18-27-25(29-20-9-11-22(12-10-20)33-15-13-32(5)14-16-33)30-24(19)28-21-7-6-8-23(17-21)36(34,35)31-26(2,3)4/h6-12,17-18,31H,13-16H2,1-5H3,(H2,27,28,29,30)
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n/an/a 6n/an/an/an/an/an/a



Kasetsart University

Curated by ChEMBL


Assay Description
Inhibition of human JAK2


Eur J Med Chem 124: 896-905 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.055
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50208589
PNG
(CHEMBL3884848)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(Nc3cccc(C)c3)n2)cc1C
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n/an/a 50n/an/an/an/an/an/a



Kasetsart University

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 using poly (Glu:Tyr) as substrate


Eur J Med Chem 124: 896-905 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.055
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50208590
PNG
(CHEMBL3884104)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(Nc3cccc(c3)S(N)(=O)=O)n2)cc1C
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n/an/a 126n/an/an/an/an/an/a



Kasetsart University

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 using poly (Glu:Tyr) as substrate


Eur J Med Chem 124: 896-905 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.055
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50208588
PNG
(CHEMBL3884240)
Show SMILES NS(=O)(=O)c1cccc(Nc2ccnc(Nc3ccc(cc3)N3CCOCC3)n2)c1
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n/an/a 129n/an/an/an/an/an/a



Kasetsart University

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 using poly (Glu:Tyr) as substrate


Eur J Med Chem 124: 896-905 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.055
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50208592
PNG
(CHEMBL3883652)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(Nc3cccc(C)c3)n2)cc1
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n/an/a 140n/an/an/an/an/an/a



Kasetsart University

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 using poly (Glu:Tyr) as substrate


Eur J Med Chem 124: 896-905 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.055
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50208589
PNG
(CHEMBL3884848)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(Nc3cccc(C)c3)n2)cc1C
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n/an/a 1.80E+3n/an/an/an/an/an/a



Kasetsart University

Curated by ChEMBL


Assay Description
Inhibition of human JAK3 using poly (Glu:Tyr) as substrate


Eur J Med Chem 124: 896-905 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.055
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50208592
PNG
(CHEMBL3883652)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(Nc3cccc(C)c3)n2)cc1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Kasetsart University

Curated by ChEMBL


Assay Description
Inhibition of human JAK3 using poly (Glu:Tyr) as substrate


Eur J Med Chem 124: 896-905 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.055
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50208590
PNG
(CHEMBL3884104)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(Nc3cccc(c3)S(N)(=O)=O)n2)cc1C
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n/an/a 4.10E+3n/an/an/an/an/an/a



Kasetsart University

Curated by ChEMBL


Assay Description
Inhibition of human JAK3 using poly (Glu:Tyr) as substrate


Eur J Med Chem 124: 896-905 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.055
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50208588
PNG
(CHEMBL3884240)
Show SMILES NS(=O)(=O)c1cccc(Nc2ccnc(Nc3ccc(cc3)N3CCOCC3)n2)c1
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n/an/a 7.10E+3n/an/an/an/an/an/a



Kasetsart University

Curated by ChEMBL


Assay Description
Inhibition of human JAK3 using poly (Glu:Tyr) as substrate


Eur J Med Chem 124: 896-905 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.055
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50208592
PNG
(CHEMBL3883652)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(Nc3cccc(C)c3)n2)cc1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Kasetsart University

Curated by ChEMBL


Assay Description
Inhibition of human EGFR using poly (Glu:Tyr) as substrate measured for 1.5 hrs by oregon green 488 dye-based fluorescence assay


Eur J Med Chem 124: 896-905 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.055
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50208591
PNG
(CHEMBL3885292)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(C#N)c(Nc3cccc(c3)S(=O)(=O)NC(C)(C)C)n2)cc1C
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n/an/a>1.00E+5n/an/an/an/an/an/a



Kasetsart University

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 using poly (Glu:Tyr) as substrate


Eur J Med Chem 124: 896-905 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.055
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50208591
PNG
(CHEMBL3885292)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(C#N)c(Nc3cccc(c3)S(=O)(=O)NC(C)(C)C)n2)cc1C
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n/an/a>1.00E+5n/an/an/an/an/an/a



Kasetsart University

Curated by ChEMBL


Assay Description
Inhibition of human JAK3 using poly (Glu:Tyr) as substrate


Eur J Med Chem 124: 896-905 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.055
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50208588
PNG
(CHEMBL3884240)
Show SMILES NS(=O)(=O)c1cccc(Nc2ccnc(Nc3ccc(cc3)N3CCOCC3)n2)c1
PDB
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n/an/a>1.00E+5n/an/an/an/an/an/a



Kasetsart University

Curated by ChEMBL


Assay Description
Inhibition of human EGFR using poly (Glu:Tyr) as substrate measured for 1.5 hrs by oregon green 488 dye-based fluorescence assay


Eur J Med Chem 124: 896-905 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.055
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50208589
PNG
(CHEMBL3884848)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(Nc3cccc(C)c3)n2)cc1C
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n/an/a>1.50E+5n/an/an/an/an/an/a



Kasetsart University

Curated by ChEMBL


Assay Description
Inhibition of human EGFR using poly (Glu:Tyr) as substrate measured for 1.5 hrs by oregon green 488 dye-based fluorescence assay


Eur J Med Chem 124: 896-905 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.055
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50208591
PNG
(CHEMBL3885292)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(C#N)c(Nc3cccc(c3)S(=O)(=O)NC(C)(C)C)n2)cc1C
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n/an/a>1.50E+5n/an/an/an/an/an/a



Kasetsart University

Curated by ChEMBL


Assay Description
Inhibition of human EGFR using poly (Glu:Tyr) as substrate measured for 1.5 hrs by oregon green 488 dye-based fluorescence assay


Eur J Med Chem 124: 896-905 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.055
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50208590
PNG
(CHEMBL3884104)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(Nc3cccc(c3)S(N)(=O)=O)n2)cc1C
PDB
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n/an/a>1.50E+5n/an/an/an/an/an/a



Kasetsart University

Curated by ChEMBL


Assay Description
Inhibition of human EGFR using poly (Glu:Tyr) as substrate measured for 1.5 hrs by oregon green 488 dye-based fluorescence assay


Eur J Med Chem 124: 896-905 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.055
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%