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PubMed code 22560627

Compile data set for download or QSAR
Found 70 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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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n/an/a 22n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of recombinant VEGFR2 using poly(Glu,Tyr)4 as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 min...

Eur J Med Chem 53: 254-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.007
BindingDB Entry DOI: 10.7270/Q2W66MT7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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n/an/a 70n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of recombinant VEGFR2 using poly(Glu,Tyr)4 as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 min...

Eur J Med Chem 53: 254-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.007
BindingDB Entry DOI: 10.7270/Q2W66MT7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50308188
PNG
(2-(3-Hydroxy-4-methoxyanilino)-5,7-dihydro-6H-pyri...)
Show SMILES COc1ccc(Nc2ncc3CC(=O)Nc4ccccc4-c3n2)cc1O
Show InChI InChI=1S/C19H16N4O3/c1-26-16-7-6-12(9-15(16)24)21-19-20-10-11-8-17(25)22-14-5-3-2-4-13(14)18(11)23-19/h2-7,9-10,24H,8H2,1H3,(H,22,25)(H,20,21,23)
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n/an/a 73n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of recombinant VEGFR2 using poly(Glu,Tyr)4 as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 min...

Eur J Med Chem 53: 254-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.007
BindingDB Entry DOI: 10.7270/Q2W66MT7
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50308188
PNG
(2-(3-Hydroxy-4-methoxyanilino)-5,7-dihydro-6H-pyri...)
Show SMILES COc1ccc(Nc2ncc3CC(=O)Nc4ccccc4-c3n2)cc1O
Show InChI InChI=1S/C19H16N4O3/c1-26-16-7-6-12(9-15(16)24)21-19-20-10-11-8-17(25)22-14-5-3-2-4-13(14)18(11)23-19/h2-7,9-10,24H,8H2,1H3,(H,22,25)(H,20,21,23)
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n/an/a 640n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of recombinant FAK using poly(Glu,Tyr)4 as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 mins b...

Eur J Med Chem 53: 254-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.007
BindingDB Entry DOI: 10.7270/Q2W66MT7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))		BDBM50385175
PNG
(CHEMBL2036866)
Show SMILES COc1ccc(Nc2nccc(n2)-c2nc3ccccc3n2C)cc1O
Show InChI InChI=1S/C19H17N5O2/c1-24-15-6-4-3-5-13(15)22-18(24)14-9-10-20-19(23-14)21-12-7-8-17(26-2)16(25)11-12/h3-11,25H,1-2H3,(H,20,21,23)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of recombinant PLK1 using RBERCHKtide as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 mins by ...

Eur J Med Chem 53: 254-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.007
BindingDB Entry DOI: 10.7270/Q2W66MT7
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))		BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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n/an/a 1.50E+3n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of recombinant Aurora B using tetra(LRRWSLG) as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 m...

Eur J Med Chem 53: 254-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.007
BindingDB Entry DOI: 10.7270/Q2W66MT7
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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n/an/a 1.60E+3n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of recombinant FAK using poly(Glu,Tyr)4 as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 mins b...

Eur J Med Chem 53: 254-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.007
BindingDB Entry DOI: 10.7270/Q2W66MT7
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))		BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of recombinant Aurora B using tetra(LRRWSLG) as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 m...

Eur J Med Chem 53: 254-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.007
BindingDB Entry DOI: 10.7270/Q2W66MT7
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))		BDBM50308188
PNG
(2-(3-Hydroxy-4-methoxyanilino)-5,7-dihydro-6H-pyri...)
Show SMILES COc1ccc(Nc2ncc3CC(=O)Nc4ccccc4-c3n2)cc1O
Show InChI InChI=1S/C19H16N4O3/c1-26-16-7-6-12(9-15(16)24)21-19-20-10-11-8-17(25)22-14-5-3-2-4-13(14)18(11)23-19/h2-7,9-10,24H,8H2,1H3,(H,22,25)(H,20,21,23)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of recombinant Aurora B using tetra(LRRWSLG) as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 m...

Eur J Med Chem 53: 254-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.007
BindingDB Entry DOI: 10.7270/Q2W66MT7
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50385178
PNG
(CHEMBL2036870)
Show SMILES Cn1c(nc2ccccc12)-c1ccnc(Nc2cccc(O)c2)n1
Show InChI InChI=1S/C18H15N5O/c1-23-16-8-3-2-7-14(16)21-17(23)15-9-10-19-18(22-15)20-12-5-4-6-13(24)11-12/h2-11,24H,1H3,(H,19,20,22)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of recombinant VEGFR2 using poly(Glu,Tyr)4 as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 min...

Eur J Med Chem 53: 254-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.007
BindingDB Entry DOI: 10.7270/Q2W66MT7
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50385175
PNG
(CHEMBL2036866)
Show SMILES COc1ccc(Nc2nccc(n2)-c2nc3ccccc3n2C)cc1O
Show InChI InChI=1S/C19H17N5O2/c1-24-15-6-4-3-5-13(15)22-18(24)14-9-10-20-19(23-14)21-12-7-8-17(26-2)16(25)11-12/h3-11,25H,1-2H3,(H,20,21,23)
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n/an/a 3.40E+3n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of recombinant FAK using poly(Glu,Tyr)4 as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 mins b...

Eur J Med Chem 53: 254-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.007
BindingDB Entry DOI: 10.7270/Q2W66MT7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))		BDBM50385178
PNG
(CHEMBL2036870)
Show SMILES Cn1c(nc2ccccc12)-c1ccnc(Nc2cccc(O)c2)n1
Show InChI InChI=1S/C18H15N5O/c1-23-16-8-3-2-7-14(16)21-17(23)15-9-10-19-18(22-15)20-12-5-4-6-13(24)11-12/h2-11,24H,1H3,(H,19,20,22)
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n/an/a 3.70E+3n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of recombinant PLK1 using RBERCHKtide as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 mins by ...

Eur J Med Chem 53: 254-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.007
BindingDB Entry DOI: 10.7270/Q2W66MT7
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50385178
PNG
(CHEMBL2036870)
Show SMILES Cn1c(nc2ccccc12)-c1ccnc(Nc2cccc(O)c2)n1
Show InChI InChI=1S/C18H15N5O/c1-23-16-8-3-2-7-14(16)21-17(23)15-9-10-19-18(22-15)20-12-5-4-6-13(24)11-12/h2-11,24H,1H3,(H,19,20,22)
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n/an/a 5.20E+3n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of recombinant FAK using poly(Glu,Tyr)4 as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 mins b...

Eur J Med Chem 53: 254-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.007
BindingDB Entry DOI: 10.7270/Q2W66MT7
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))		BDBM50385178
PNG
(CHEMBL2036870)
Show SMILES Cn1c(nc2ccccc12)-c1ccnc(Nc2cccc(O)c2)n1
Show InChI InChI=1S/C18H15N5O/c1-23-16-8-3-2-7-14(16)21-17(23)15-9-10-19-18(22-15)20-12-5-4-6-13(24)11-12/h2-11,24H,1H3,(H,19,20,22)
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n/an/a 5.50E+3n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of recombinant Aurora B using tetra(LRRWSLG) as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 m...

Eur J Med Chem 53: 254-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.007
BindingDB Entry DOI: 10.7270/Q2W66MT7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))		BDBM50308188
PNG
(2-(3-Hydroxy-4-methoxyanilino)-5,7-dihydro-6H-pyri...)
Show SMILES COc1ccc(Nc2ncc3CC(=O)Nc4ccccc4-c3n2)cc1O
Show InChI InChI=1S/C19H16N4O3/c1-26-16-7-6-12(9-15(16)24)21-19-20-10-11-8-17(25)22-14-5-3-2-4-13(14)18(11)23-19/h2-7,9-10,24H,8H2,1H3,(H,22,25)(H,20,21,23)
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n/an/a 5.70E+3n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of recombinant PLK1 using RBERCHKtide as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 mins by ...

Eur J Med Chem 53: 254-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.007
BindingDB Entry DOI: 10.7270/Q2W66MT7
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))		BDBM50385175
PNG
(CHEMBL2036866)
Show SMILES COc1ccc(Nc2nccc(n2)-c2nc3ccccc3n2C)cc1O
Show InChI InChI=1S/C19H17N5O2/c1-24-15-6-4-3-5-13(15)22-18(24)14-9-10-20-19(23-14)21-12-7-8-17(26-2)16(25)11-12/h3-11,25H,1-2H3,(H,20,21,23)
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n/an/a 6.00E+3n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of recombinant Aurora B using tetra(LRRWSLG) as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 m...

Eur J Med Chem 53: 254-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.007
BindingDB Entry DOI: 10.7270/Q2W66MT7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))		BDBM50385179
PNG
(CHEMBL2036865)
Show SMILES Cn1c(nc2ccccc12)-c1ccnc(Nc2ccc(O)c(Cl)c2)n1
Show InChI InChI=1S/C18H14ClN5O/c1-24-15-5-3-2-4-13(15)22-17(24)14-8-9-20-18(23-14)21-11-6-7-16(25)12(19)10-11/h2-10,25H,1H3,(H,20,21,23)
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n/an/a 6.00E+3n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of recombinant PLK1 using RBERCHKtide as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 mins by ...

Eur J Med Chem 53: 254-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.007
BindingDB Entry DOI: 10.7270/Q2W66MT7
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))		BDBM50385179
PNG
(CHEMBL2036865)
Show SMILES Cn1c(nc2ccccc12)-c1ccnc(Nc2ccc(O)c(Cl)c2)n1
Show InChI InChI=1S/C18H14ClN5O/c1-24-15-5-3-2-4-13(15)22-17(24)14-8-9-20-18(23-14)21-11-6-7-16(25)12(19)10-11/h2-10,25H,1H3,(H,20,21,23)
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n/an/a 7.00E+3n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of recombinant Aurora B using tetra(LRRWSLG) as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 m...

Eur J Med Chem 53: 254-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.007
BindingDB Entry DOI: 10.7270/Q2W66MT7
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50385175
PNG
(CHEMBL2036866)
Show SMILES COc1ccc(Nc2nccc(n2)-c2nc3ccccc3n2C)cc1O
Show InChI InChI=1S/C19H17N5O2/c1-24-15-6-4-3-5-13(15)22-18(24)14-9-10-20-19(23-14)21-12-7-8-17(26-2)16(25)11-12/h3-11,25H,1-2H3,(H,20,21,23)
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n/an/a 7.20E+3n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of recombinant VEGFR2 using poly(Glu,Tyr)4 as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 min...

Eur J Med Chem 53: 254-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.007
BindingDB Entry DOI: 10.7270/Q2W66MT7
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50385179
PNG
(CHEMBL2036865)
Show SMILES Cn1c(nc2ccccc12)-c1ccnc(Nc2ccc(O)c(Cl)c2)n1
Show InChI InChI=1S/C18H14ClN5O/c1-24-15-5-3-2-4-13(15)22-17(24)14-8-9-20-18(23-14)21-11-6-7-16(25)12(19)10-11/h2-10,25H,1H3,(H,20,21,23)
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n/an/a 7.50E+3n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of recombinant VEGFR2 using poly(Glu,Tyr)4 as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 min...

Eur J Med Chem 53: 254-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.007
BindingDB Entry DOI: 10.7270/Q2W66MT7
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50385174
PNG
(CHEMBL2036869)
Show SMILES Cn1c(nc2ccccc12)-c1ccnc(Nc2ccc(O)cc2)n1
Show InChI InChI=1S/C18H15N5O/c1-23-16-5-3-2-4-14(16)21-17(23)15-10-11-19-18(22-15)20-12-6-8-13(24)9-7-12/h2-11,24H,1H3,(H,19,20,22)
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n/an/a 9.20E+3n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of recombinant VEGFR2 using poly(Glu,Tyr)4 as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 min...

Eur J Med Chem 53: 254-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.007
BindingDB Entry DOI: 10.7270/Q2W66MT7
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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n/an/a>1.00E+4n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKT1 using GSK3 as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 mins by scintil...

Eur J Med Chem 53: 254-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.007
BindingDB Entry DOI: 10.7270/Q2W66MT7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))		BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of recombinant PLK1 using RBERCHKtide as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 mins by ...

Eur J Med Chem 53: 254-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.007
BindingDB Entry DOI: 10.7270/Q2W66MT7
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKT1 using GSK3 as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 mins by scintil...

Eur J Med Chem 53: 254-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.007
BindingDB Entry DOI: 10.7270/Q2W66MT7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))		BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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n/an/a>1.00E+4n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of recombinant PLK1 using RBERCHKtide as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 mins by ...

Eur J Med Chem 53: 254-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.007
BindingDB Entry DOI: 10.7270/Q2W66MT7
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of recombinant FAK using poly(Glu,Tyr)4 as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 mins b...

Eur J Med Chem 53: 254-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.007
BindingDB Entry DOI: 10.7270/Q2W66MT7
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50385179
PNG
(CHEMBL2036865)
Show SMILES Cn1c(nc2ccccc12)-c1ccnc(Nc2ccc(O)c(Cl)c2)n1
Show InChI InChI=1S/C18H14ClN5O/c1-24-15-5-3-2-4-13(15)22-17(24)14-8-9-20-18(23-14)21-11-6-7-16(25)12(19)10-11/h2-10,25H,1H3,(H,20,21,23)
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n/an/a 1.04E+4n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of recombinant FAK using poly(Glu,Tyr)4 as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 mins b...

Eur J Med Chem 53: 254-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.007
BindingDB Entry DOI: 10.7270/Q2W66MT7
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))		BDBM50385174
PNG
(CHEMBL2036869)
Show SMILES Cn1c(nc2ccccc12)-c1ccnc(Nc2ccc(O)cc2)n1
Show InChI InChI=1S/C18H15N5O/c1-23-16-5-3-2-4-14(16)21-17(23)15-10-11-19-18(22-15)20-12-6-8-13(24)9-7-12/h2-11,24H,1H3,(H,19,20,22)
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n/an/a 1.11E+4n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of recombinant Aurora B using tetra(LRRWSLG) as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 m...

Eur J Med Chem 53: 254-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.007
BindingDB Entry DOI: 10.7270/Q2W66MT7
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50385174
PNG
(CHEMBL2036869)
Show SMILES Cn1c(nc2ccccc12)-c1ccnc(Nc2ccc(O)cc2)n1
Show InChI InChI=1S/C18H15N5O/c1-23-16-5-3-2-4-14(16)21-17(23)15-10-11-19-18(22-15)20-12-6-8-13(24)9-7-12/h2-11,24H,1H3,(H,19,20,22)
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n/an/a 1.14E+4n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of recombinant FAK using poly(Glu,Tyr)4 as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 mins b...

Eur J Med Chem 53: 254-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.007
BindingDB Entry DOI: 10.7270/Q2W66MT7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))		BDBM50385174
PNG
(CHEMBL2036869)
Show SMILES Cn1c(nc2ccccc12)-c1ccnc(Nc2ccc(O)cc2)n1
Show InChI InChI=1S/C18H15N5O/c1-23-16-5-3-2-4-14(16)21-17(23)15-10-11-19-18(22-15)20-12-6-8-13(24)9-7-12/h2-11,24H,1H3,(H,19,20,22)
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n/an/a 1.20E+4n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of recombinant PLK1 using RBERCHKtide as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 mins by ...

Eur J Med Chem 53: 254-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.007
BindingDB Entry DOI: 10.7270/Q2W66MT7
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50385171
PNG
(CHEMBL2036725)
Show SMILES Cn1c(nc2ccccc12)-c1ccnc(Nc2ccccc2)n1
Show InChI InChI=1S/C18H15N5/c1-23-16-10-6-5-9-14(16)21-17(23)15-11-12-19-18(22-15)20-13-7-3-2-4-8-13/h2-12H,1H3,(H,19,20,22)
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n/an/a 1.34E+4n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of recombinant VEGFR2 using poly(Glu,Tyr)4 as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 min...

Eur J Med Chem 53: 254-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.007
BindingDB Entry DOI: 10.7270/Q2W66MT7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))		BDBM50385177
PNG
(CHEMBL2036868)
Show SMILES COc1ccc(Nc2nccc(n2)-c2nc3ccccc3n2C)cc1
Show InChI InChI=1S/C19H17N5O/c1-24-17-6-4-3-5-15(17)22-18(24)16-11-12-20-19(23-16)21-13-7-9-14(25-2)10-8-13/h3-12H,1-2H3,(H,20,21,23)
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n/an/a 1.50E+4n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of recombinant PLK1 using RBERCHKtide as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 mins by ...

Eur J Med Chem 53: 254-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.007
BindingDB Entry DOI: 10.7270/Q2W66MT7
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50385170
PNG
(CHEMBL2036728)
Show SMILES Cn1c(nc2ccccc12)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C22H22N6O/c1-27-20-5-3-2-4-18(20)25-21(27)19-10-11-23-22(26-19)24-16-6-8-17(9-7-16)28-12-14-29-15-13-28/h2-11H,12-15H2,1H3,(H,23,24,26)
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n/an/a 2.40E+4n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of recombinant FAK using poly(Glu,Tyr)4 as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 mins b...

Eur J Med Chem 53: 254-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.007
BindingDB Entry DOI: 10.7270/Q2W66MT7
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50385172
PNG
(CHEMBL2036726)
Show SMILES Cc1ccc(Nc2nccc(n2)-c2nc3ccccc3n2C)cc1
Show InChI InChI=1S/C19H17N5/c1-13-7-9-14(10-8-13)21-19-20-12-11-16(23-19)18-22-15-5-3-4-6-17(15)24(18)2/h3-12H,1-2H3,(H,20,21,23)
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n/an/a 2.50E+4n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of recombinant VEGFR2 using poly(Glu,Tyr)4 as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 min...

Eur J Med Chem 53: 254-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.007
BindingDB Entry DOI: 10.7270/Q2W66MT7
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50385177
PNG
(CHEMBL2036868)
Show SMILES COc1ccc(Nc2nccc(n2)-c2nc3ccccc3n2C)cc1
Show InChI InChI=1S/C19H17N5O/c1-24-17-6-4-3-5-15(17)22-18(24)16-11-12-20-19(23-16)21-13-7-9-14(25-2)10-8-13/h3-12H,1-2H3,(H,20,21,23)
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n/an/a 2.70E+4n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of recombinant FAK using poly(Glu,Tyr)4 as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 mins b...

Eur J Med Chem 53: 254-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.007
BindingDB Entry DOI: 10.7270/Q2W66MT7
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50385173
PNG
(CHEMBL2036727)
Show SMILES Cn1c(nc2ccccc12)-c1ccnc(Nc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C18H14ClN5/c1-24-16-5-3-2-4-14(16)22-17(24)15-10-11-20-18(23-15)21-13-8-6-12(19)7-9-13/h2-11H,1H3,(H,20,21,23)
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n/an/a 3.80E+4n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of recombinant VEGFR2 using poly(Glu,Tyr)4 as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 min...

Eur J Med Chem 53: 254-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.007
BindingDB Entry DOI: 10.7270/Q2W66MT7
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50385171
PNG
(CHEMBL2036725)
Show SMILES Cn1c(nc2ccccc12)-c1ccnc(Nc2ccccc2)n1
Show InChI InChI=1S/C18H15N5/c1-23-16-10-6-5-9-14(16)21-17(23)15-11-12-19-18(22-15)20-13-7-3-2-4-8-13/h2-12H,1H3,(H,19,20,22)
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n/an/a 3.80E+4n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of recombinant FAK using poly(Glu,Tyr)4 as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 mins b...

Eur J Med Chem 53: 254-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.007
BindingDB Entry DOI: 10.7270/Q2W66MT7
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM50385173
PNG
(CHEMBL2036727)
Show SMILES Cn1c(nc2ccccc12)-c1ccnc(Nc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C18H14ClN5/c1-24-16-5-3-2-4-14(16)22-17(24)15-10-11-20-18(23-15)21-13-8-6-12(19)7-9-13/h2-11H,1H3,(H,20,21,23)
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n/an/a 4.10E+4n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKT1 using GSK3 as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 mins by scintil...

Eur J Med Chem 53: 254-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.007
BindingDB Entry DOI: 10.7270/Q2W66MT7
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50385177
PNG
(CHEMBL2036868)
Show SMILES COc1ccc(Nc2nccc(n2)-c2nc3ccccc3n2C)cc1
Show InChI InChI=1S/C19H17N5O/c1-24-17-6-4-3-5-15(17)22-18(24)16-11-12-20-19(23-16)21-13-7-9-14(25-2)10-8-13/h3-12H,1-2H3,(H,20,21,23)
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n/an/a 4.40E+4n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of recombinant VEGFR2 using poly(Glu,Tyr)4 as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 min...

Eur J Med Chem 53: 254-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.007
BindingDB Entry DOI: 10.7270/Q2W66MT7
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50385172
PNG
(CHEMBL2036726)
Show SMILES Cc1ccc(Nc2nccc(n2)-c2nc3ccccc3n2C)cc1
Show InChI InChI=1S/C19H17N5/c1-13-7-9-14(10-8-13)21-19-20-12-11-16(23-19)18-22-15-5-3-4-6-17(15)24(18)2/h3-12H,1-2H3,(H,20,21,23)
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n/an/a 5.80E+4n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of recombinant FAK using poly(Glu,Tyr)4 as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 mins b...

Eur J Med Chem 53: 254-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.007
BindingDB Entry DOI: 10.7270/Q2W66MT7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))		BDBM50385171
PNG
(CHEMBL2036725)
Show SMILES Cn1c(nc2ccccc12)-c1ccnc(Nc2ccccc2)n1
Show InChI InChI=1S/C18H15N5/c1-23-16-10-6-5-9-14(16)21-17(23)15-11-12-19-18(22-15)20-13-7-3-2-4-8-13/h2-12H,1H3,(H,19,20,22)
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n/an/a 6.00E+4n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of recombinant PLK1 using RBERCHKtide as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 mins by ...

Eur J Med Chem 53: 254-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.007
BindingDB Entry DOI: 10.7270/Q2W66MT7
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))		BDBM50385177
PNG
(CHEMBL2036868)
Show SMILES COc1ccc(Nc2nccc(n2)-c2nc3ccccc3n2C)cc1
Show InChI InChI=1S/C19H17N5O/c1-24-17-6-4-3-5-15(17)22-18(24)16-11-12-20-19(23-16)21-13-7-9-14(25-2)10-8-13/h3-12H,1-2H3,(H,20,21,23)
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n/an/a 6.20E+4n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of recombinant Aurora B using tetra(LRRWSLG) as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 m...

Eur J Med Chem 53: 254-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.007
BindingDB Entry DOI: 10.7270/Q2W66MT7
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50385170
PNG
(CHEMBL2036728)
Show SMILES Cn1c(nc2ccccc12)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C22H22N6O/c1-27-20-5-3-2-4-18(20)25-21(27)19-10-11-23-22(26-19)24-16-6-8-17(9-7-16)28-12-14-29-15-13-28/h2-11H,12-15H2,1H3,(H,23,24,26)
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n/an/a 6.90E+4n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of recombinant VEGFR2 using poly(Glu,Tyr)4 as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 min...

Eur J Med Chem 53: 254-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.007
BindingDB Entry DOI: 10.7270/Q2W66MT7
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50385173
PNG
(CHEMBL2036727)
Show SMILES Cn1c(nc2ccccc12)-c1ccnc(Nc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C18H14ClN5/c1-24-16-5-3-2-4-14(16)22-17(24)15-10-11-20-18(23-15)21-13-8-6-12(19)7-9-13/h2-11H,1H3,(H,20,21,23)
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n/an/a 6.90E+4n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of recombinant FAK using poly(Glu,Tyr)4 as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 mins b...

Eur J Med Chem 53: 254-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.007
BindingDB Entry DOI: 10.7270/Q2W66MT7
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM50385177
PNG
(CHEMBL2036868)
Show SMILES COc1ccc(Nc2nccc(n2)-c2nc3ccccc3n2C)cc1
Show InChI InChI=1S/C19H17N5O/c1-24-17-6-4-3-5-15(17)22-18(24)16-11-12-20-19(23-16)21-13-7-9-14(25-2)10-8-13/h3-12H,1-2H3,(H,20,21,23)
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n/an/a 7.50E+4n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKT1 using GSK3 as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 mins by scintil...

Eur J Med Chem 53: 254-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.007
BindingDB Entry DOI: 10.7270/Q2W66MT7
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50385180
PNG
(CHEMBL2036871)
Show SMILES Cn1c(nc2ccccc12)-c1ccc2c(n1)n(C)c(=O)n(C)c2=O
Show InChI InChI=1S/C17H15N5O2/c1-20-13-7-5-4-6-11(13)18-15(20)12-9-8-10-14(19-12)21(2)17(24)22(3)16(10)23/h4-9H,1-3H3
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n/an/a 8.50E+4n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of recombinant VEGFR2 using poly(Glu,Tyr)4 as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 min...

Eur J Med Chem 53: 254-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.007
BindingDB Entry DOI: 10.7270/Q2W66MT7
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50385180
PNG
(CHEMBL2036871)
Show SMILES Cn1c(nc2ccccc12)-c1ccc2c(n1)n(C)c(=O)n(C)c2=O
Show InChI InChI=1S/C17H15N5O2/c1-20-13-7-5-4-6-11(13)18-15(20)12-9-8-10-14(19-12)21(2)17(24)22(3)16(10)23/h4-9H,1-3H3
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n/an/a 9.20E+4n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of recombinant FAK using poly(Glu,Tyr)4 as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 mins b...

Eur J Med Chem 53: 254-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.007
BindingDB Entry DOI: 10.7270/Q2W66MT7
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50385176
PNG
(CHEMBL2036867)
Show SMILES CCOc1ccc(Nc2nccc(n2)-c2nc3ccccc3n2C)cc1
Show InChI InChI=1S/C20H19N5O/c1-3-26-15-10-8-14(9-11-15)22-20-21-13-12-17(24-20)19-23-16-6-4-5-7-18(16)25(19)2/h4-13H,3H2,1-2H3,(H,21,22,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of recombinant FAK using poly(Glu,Tyr)4 as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 mins b...

Eur J Med Chem 53: 254-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.007
BindingDB Entry DOI: 10.7270/Q2W66MT7
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM50385179
PNG
(CHEMBL2036865)
Show SMILES Cn1c(nc2ccccc12)-c1ccnc(Nc2ccc(O)c(Cl)c2)n1
Show InChI InChI=1S/C18H14ClN5O/c1-24-15-5-3-2-4-13(15)22-17(24)14-8-9-20-18(23-14)21-11-6-7-16(25)12(19)10-11/h2-10,25H,1H3,(H,20,21,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKT1 using GSK3 as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 mins by scintil...

Eur J Med Chem 53: 254-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.007
BindingDB Entry DOI: 10.7270/Q2W66MT7
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM50385171
PNG
(CHEMBL2036725)
Show SMILES Cn1c(nc2ccccc12)-c1ccnc(Nc2ccccc2)n1
Show InChI InChI=1S/C18H15N5/c1-23-16-10-6-5-9-14(16)21-17(23)15-11-12-19-18(22-15)20-13-7-3-2-4-8-13/h2-12H,1H3,(H,19,20,22)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKT1 using GSK3 as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 mins by scintil...

Eur J Med Chem 53: 254-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.007
BindingDB Entry DOI: 10.7270/Q2W66MT7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))		BDBM50385173
PNG
(CHEMBL2036727)
Show SMILES Cn1c(nc2ccccc12)-c1ccnc(Nc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C18H14ClN5/c1-24-16-5-3-2-4-14(16)22-17(24)15-10-11-20-18(23-15)21-13-8-6-12(19)7-9-13/h2-11H,1H3,(H,20,21,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of recombinant PLK1 using RBERCHKtide as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 mins by ...

Eur J Med Chem 53: 254-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.007
BindingDB Entry DOI: 10.7270/Q2W66MT7
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM50385174
PNG
(CHEMBL2036869)
Show SMILES Cn1c(nc2ccccc12)-c1ccnc(Nc2ccc(O)cc2)n1
Show InChI InChI=1S/C18H15N5O/c1-23-16-5-3-2-4-14(16)21-17(23)15-10-11-19-18(22-15)20-12-6-8-13(24)9-7-12/h2-11,24H,1H3,(H,19,20,22)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKT1 using GSK3 as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 mins by scintil...

Eur J Med Chem 53: 254-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.007
BindingDB Entry DOI: 10.7270/Q2W66MT7
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM50385178
PNG
(CHEMBL2036870)
Show SMILES Cn1c(nc2ccccc12)-c1ccnc(Nc2cccc(O)c2)n1
Show InChI InChI=1S/C18H15N5O/c1-23-16-8-3-2-7-14(16)21-17(23)15-9-10-19-18(22-15)20-12-5-4-6-13(24)11-12/h2-11,24H,1H3,(H,19,20,22)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKT1 using GSK3 as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 mins by scintil...

Eur J Med Chem 53: 254-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.007
BindingDB Entry DOI: 10.7270/Q2W66MT7
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))		BDBM50385171
PNG
(CHEMBL2036725)
Show SMILES Cn1c(nc2ccccc12)-c1ccnc(Nc2ccccc2)n1
Show InChI InChI=1S/C18H15N5/c1-23-16-10-6-5-9-14(16)21-17(23)15-11-12-19-18(22-15)20-13-7-3-2-4-8-13/h2-12H,1H3,(H,19,20,22)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of recombinant Aurora B using tetra(LRRWSLG) as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 m...

Eur J Med Chem 53: 254-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.007
BindingDB Entry DOI: 10.7270/Q2W66MT7
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM50385172
PNG
(CHEMBL2036726)
Show SMILES Cc1ccc(Nc2nccc(n2)-c2nc3ccccc3n2C)cc1
Show InChI InChI=1S/C19H17N5/c1-13-7-9-14(10-8-13)21-19-20-12-11-16(23-19)18-22-15-5-3-4-6-17(15)24(18)2/h3-12H,1-2H3,(H,20,21,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKT1 using GSK3 as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 mins by scintil...

Eur J Med Chem 53: 254-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.007
BindingDB Entry DOI: 10.7270/Q2W66MT7
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM50308188
PNG
(2-(3-Hydroxy-4-methoxyanilino)-5,7-dihydro-6H-pyri...)
Show SMILES COc1ccc(Nc2ncc3CC(=O)Nc4ccccc4-c3n2)cc1O
Show InChI InChI=1S/C19H16N4O3/c1-26-16-7-6-12(9-15(16)24)21-19-20-10-11-8-17(25)22-14-5-3-2-4-13(14)18(11)23-19/h2-7,9-10,24H,8H2,1H3,(H,22,25)(H,20,21,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKT1 using GSK3 as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 mins by scintil...

Eur J Med Chem 53: 254-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.007
BindingDB Entry DOI: 10.7270/Q2W66MT7
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))		BDBM50385176
PNG
(CHEMBL2036867)
Show SMILES CCOc1ccc(Nc2nccc(n2)-c2nc3ccccc3n2C)cc1
Show InChI InChI=1S/C20H19N5O/c1-3-26-15-10-8-14(9-11-15)22-20-21-13-12-17(24-20)19-23-16-6-4-5-7-18(16)25(19)2/h4-13H,3H2,1-2H3,(H,21,22,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of recombinant Aurora B using tetra(LRRWSLG) as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 m...

Eur J Med Chem 53: 254-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.007
BindingDB Entry DOI: 10.7270/Q2W66MT7
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM50385170
PNG
(CHEMBL2036728)
Show SMILES Cn1c(nc2ccccc12)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C22H22N6O/c1-27-20-5-3-2-4-18(20)25-21(27)19-10-11-23-22(26-19)24-16-6-8-17(9-7-16)28-12-14-29-15-13-28/h2-11H,12-15H2,1H3,(H,23,24,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKT1 using GSK3 as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 mins by scintil...

Eur J Med Chem 53: 254-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.007
BindingDB Entry DOI: 10.7270/Q2W66MT7
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM50385175
PNG
(CHEMBL2036866)
Show SMILES COc1ccc(Nc2nccc(n2)-c2nc3ccccc3n2C)cc1O
Show InChI InChI=1S/C19H17N5O2/c1-24-15-6-4-3-5-13(15)22-18(24)14-9-10-20-19(23-14)21-12-7-8-17(26-2)16(25)11-12/h3-11,25H,1-2H3,(H,20,21,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKT1 using GSK3 as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 mins by scintil...

Eur J Med Chem 53: 254-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.007
BindingDB Entry DOI: 10.7270/Q2W66MT7
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))		BDBM50385173
PNG
(CHEMBL2036727)
Show SMILES Cn1c(nc2ccccc12)-c1ccnc(Nc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C18H14ClN5/c1-24-16-5-3-2-4-14(16)22-17(24)15-10-11-20-18(23-15)21-13-8-6-12(19)7-9-13/h2-11H,1H3,(H,20,21,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of recombinant Aurora B using tetra(LRRWSLG) as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 m...

Eur J Med Chem 53: 254-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.007
BindingDB Entry DOI: 10.7270/Q2W66MT7
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM50385176
PNG
(CHEMBL2036867)
Show SMILES CCOc1ccc(Nc2nccc(n2)-c2nc3ccccc3n2C)cc1
Show InChI InChI=1S/C20H19N5O/c1-3-26-15-10-8-14(9-11-15)22-20-21-13-12-17(24-20)19-23-16-6-4-5-7-18(16)25(19)2/h4-13H,3H2,1-2H3,(H,21,22,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKT1 using GSK3 as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 mins by scintil...

Eur J Med Chem 53: 254-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.007
BindingDB Entry DOI: 10.7270/Q2W66MT7
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM50385180
PNG
(CHEMBL2036871)
Show SMILES Cn1c(nc2ccccc12)-c1ccc2c(n1)n(C)c(=O)n(C)c2=O
Show InChI InChI=1S/C17H15N5O2/c1-20-13-7-5-4-6-11(13)18-15(20)12-9-8-10-14(19-12)21(2)17(24)22(3)16(10)23/h4-9H,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKT1 using GSK3 as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 mins by scintil...

Eur J Med Chem 53: 254-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.007
BindingDB Entry DOI: 10.7270/Q2W66MT7
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))		BDBM50385172
PNG
(CHEMBL2036726)
Show SMILES Cc1ccc(Nc2nccc(n2)-c2nc3ccccc3n2C)cc1
Show InChI InChI=1S/C19H17N5/c1-13-7-9-14(10-8-13)21-19-20-12-11-16(23-19)18-22-15-5-3-4-6-17(15)24(18)2/h3-12H,1-2H3,(H,20,21,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of recombinant Aurora B using tetra(LRRWSLG) as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 m...

Eur J Med Chem 53: 254-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.007
BindingDB Entry DOI: 10.7270/Q2W66MT7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))		BDBM50385170
PNG
(CHEMBL2036728)
Show SMILES Cn1c(nc2ccccc12)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C22H22N6O/c1-27-20-5-3-2-4-18(20)25-21(27)19-10-11-23-22(26-19)24-16-6-8-17(9-7-16)28-12-14-29-15-13-28/h2-11H,12-15H2,1H3,(H,23,24,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of recombinant PLK1 using RBERCHKtide as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 mins by ...

Eur J Med Chem 53: 254-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.007
BindingDB Entry DOI: 10.7270/Q2W66MT7
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50385176
PNG
(CHEMBL2036867)
Show SMILES CCOc1ccc(Nc2nccc(n2)-c2nc3ccccc3n2C)cc1
Show InChI InChI=1S/C20H19N5O/c1-3-26-15-10-8-14(9-11-15)22-20-21-13-12-17(24-20)19-23-16-6-4-5-7-18(16)25(19)2/h4-13H,3H2,1-2H3,(H,21,22,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of recombinant VEGFR2 using poly(Glu,Tyr)4 as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 min...

Eur J Med Chem 53: 254-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.007
BindingDB Entry DOI: 10.7270/Q2W66MT7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))		BDBM50385176
PNG
(CHEMBL2036867)
Show SMILES CCOc1ccc(Nc2nccc(n2)-c2nc3ccccc3n2C)cc1
Show InChI InChI=1S/C20H19N5O/c1-3-26-15-10-8-14(9-11-15)22-20-21-13-12-17(24-20)19-23-16-6-4-5-7-18(16)25(19)2/h4-13H,3H2,1-2H3,(H,21,22,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of recombinant PLK1 using RBERCHKtide as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 mins by ...

Eur J Med Chem 53: 254-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.007
BindingDB Entry DOI: 10.7270/Q2W66MT7
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))		BDBM50385180
PNG
(CHEMBL2036871)
Show SMILES Cn1c(nc2ccccc12)-c1ccc2c(n1)n(C)c(=O)n(C)c2=O
Show InChI InChI=1S/C17H15N5O2/c1-20-13-7-5-4-6-11(13)18-15(20)12-9-8-10-14(19-12)21(2)17(24)22(3)16(10)23/h4-9H,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of recombinant Aurora B using tetra(LRRWSLG) as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 m...

Eur J Med Chem 53: 254-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.007
BindingDB Entry DOI: 10.7270/Q2W66MT7
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))		BDBM50385170
PNG
(CHEMBL2036728)
Show SMILES Cn1c(nc2ccccc12)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C22H22N6O/c1-27-20-5-3-2-4-18(20)25-21(27)19-10-11-23-22(26-19)24-16-6-8-17(9-7-16)28-12-14-29-15-13-28/h2-11H,12-15H2,1H3,(H,23,24,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of recombinant Aurora B using tetra(LRRWSLG) as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 m...

Eur J Med Chem 53: 254-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.007
BindingDB Entry DOI: 10.7270/Q2W66MT7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))		BDBM50385172
PNG
(CHEMBL2036726)
Show SMILES Cc1ccc(Nc2nccc(n2)-c2nc3ccccc3n2C)cc1
Show InChI InChI=1S/C19H17N5/c1-13-7-9-14(10-8-13)21-19-20-12-11-16(23-19)18-22-15-5-3-4-6-17(15)24(18)2/h3-12H,1-2H3,(H,20,21,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of recombinant PLK1 using RBERCHKtide as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 mins by ...

Eur J Med Chem 53: 254-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.007
BindingDB Entry DOI: 10.7270/Q2W66MT7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))		BDBM50385180
PNG
(CHEMBL2036871)
Show SMILES Cn1c(nc2ccccc12)-c1ccc2c(n1)n(C)c(=O)n(C)c2=O
Show InChI InChI=1S/C17H15N5O2/c1-20-13-7-5-4-6-11(13)18-15(20)12-9-8-10-14(19-12)21(2)17(24)22(3)16(10)23/h4-9H,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of recombinant PLK1 using RBERCHKtide as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 mins by ...

Eur J Med Chem 53: 254-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.007
BindingDB Entry DOI: 10.7270/Q2W66MT7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%