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PubMed code 19199284

Compile data set for download or QSAR
Found 24 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))
BDBM84651
PNG
(TC-107)
Show SMILES OCC=Cc1ccc2ncnc(Nc3cccc(F)c3)c2c1
Show InChI InChI=1S/C17H14FN3O/c18-13-4-1-5-14(10-13)21-17-15-9-12(3-2-8-22)6-7-16(15)19-11-20-17/h1-7,9-11,22H,8H2,(H,19,20,21)
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n/an/a 52n/an/an/an/a7.54



Parc de Recerca Biomedica de Barcelona



Assay Description
The IC50 for the different compounds was determined with Invitrogen Z'-LYTE kinase assay kit Ser/Thr 1 peptide PV3174 by following the manufactur...


Chembiochem 10: 464-78 (2009)


Article DOI: 10.1002/cbic.200800600
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM84651
PNG
(TC-107)
Show SMILES OCC=Cc1ccc2ncnc(Nc3cccc(F)c3)c2c1
Show InChI InChI=1S/C17H14FN3O/c18-13-4-1-5-14(10-13)21-17-15-9-12(3-2-8-22)6-7-16(15)19-11-20-17/h1-7,9-11,22H,8H2,(H,19,20,21)
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n/an/a 1.50E+3n/an/an/an/a7.54



Parc de Recerca Biomedica de Barcelona



Assay Description
The IC50 for the different compounds was determined with Invitrogen Z'-LYTE kinase assay kit Ser/Thr 1 peptide PV3174 by following the manufactur...


Chembiochem 10: 464-78 (2009)


Article DOI: 10.1002/cbic.200800600
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM84650
PNG
(TC-34)
Show SMILES CC(C)Nc1nc(nc2ccc(C=CC(C)(C)O)cc12)-c1ccco1
Show InChI InChI=1S/C20H23N3O2/c1-13(2)21-18-15-12-14(9-10-20(3,4)24)7-8-16(15)22-19(23-18)17-6-5-11-25-17/h5-13,24H,1-4H3,(H,21,22,23)
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n/an/a 1.90E+3n/an/an/an/a7.54



Parc de Recerca Biomedica de Barcelona



Assay Description
The IC50 for the different compounds was determined with Invitrogen Z'-LYTE kinase assay kit Ser/Thr 1 peptide PV3174 by following the manufactur...


Chembiochem 10: 464-78 (2009)


Article DOI: 10.1002/cbic.200800600
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM84649
PNG
(TC-28)
Show SMILES CC(C)Nc1nc(nc2ccc(cc12)C#CCO)-c1ccco1
Show InChI InChI=1S/C18H17N3O2/c1-12(2)19-17-14-11-13(5-3-9-22)7-8-15(14)20-18(21-17)16-6-4-10-23-16/h4,6-8,10-12,22H,9H2,1-2H3,(H,19,20,21)
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n/an/a 2.70E+3n/an/an/an/a7.54



Parc de Recerca Biomedica de Barcelona



Assay Description
The IC50 for the different compounds was determined with Invitrogen Z'-LYTE kinase assay kit Ser/Thr 1 peptide PV3174 by following the manufactur...


Chembiochem 10: 464-78 (2009)


Article DOI: 10.1002/cbic.200800600
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM84651
PNG
(TC-107)
Show SMILES OCC=Cc1ccc2ncnc(Nc3cccc(F)c3)c2c1
Show InChI InChI=1S/C17H14FN3O/c18-13-4-1-5-14(10-13)21-17-15-9-12(3-2-8-22)6-7-16(15)19-11-20-17/h1-7,9-11,22H,8H2,(H,19,20,21)
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n/an/a 2.90E+3n/an/an/an/a7.54



Parc de Recerca Biomedica de Barcelona



Assay Description
The IC50 for the different compounds was determined with Invitrogen Z'-LYTE kinase assay kit Ser/Thr 1 peptide PV3174 by following the manufactur...


Chembiochem 10: 464-78 (2009)


Article DOI: 10.1002/cbic.200800600
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM84650
PNG
(TC-34)
Show SMILES CC(C)Nc1nc(nc2ccc(C=CC(C)(C)O)cc12)-c1ccco1
Show InChI InChI=1S/C20H23N3O2/c1-13(2)21-18-15-12-14(9-10-20(3,4)24)7-8-16(15)22-19(23-18)17-6-5-11-25-17/h5-13,24H,1-4H3,(H,21,22,23)
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n/an/a 4.20E+3n/an/an/an/a7.54



Parc de Recerca Biomedica de Barcelona



Assay Description
The IC50 for the different compounds was determined with Invitrogen Z'-LYTE kinase assay kit Ser/Thr 1 peptide PV3174 by following the manufactur...


Chembiochem 10: 464-78 (2009)


Article DOI: 10.1002/cbic.200800600
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM84651
PNG
(TC-107)
Show SMILES OCC=Cc1ccc2ncnc(Nc3cccc(F)c3)c2c1
Show InChI InChI=1S/C17H14FN3O/c18-13-4-1-5-14(10-13)21-17-15-9-12(3-2-8-22)6-7-16(15)19-11-20-17/h1-7,9-11,22H,8H2,(H,19,20,21)
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n/an/a 4.50E+3n/an/an/an/a7.54



Parc de Recerca Biomedica de Barcelona



Assay Description
The IC50 for the different compounds was determined with Invitrogen Z'-LYTE kinase assay kit Ser/Thr 1 peptide PV3174 by following the manufactur...


Chembiochem 10: 464-78 (2009)


Article DOI: 10.1002/cbic.200800600
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM84650
PNG
(TC-34)
Show SMILES CC(C)Nc1nc(nc2ccc(C=CC(C)(C)O)cc12)-c1ccco1
Show InChI InChI=1S/C20H23N3O2/c1-13(2)21-18-15-12-14(9-10-20(3,4)24)7-8-16(15)22-19(23-18)17-6-5-11-25-17/h5-13,24H,1-4H3,(H,21,22,23)
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n/an/a 8.20E+3n/an/an/an/a7.54



Parc de Recerca Biomedica de Barcelona



Assay Description
The IC50 for the different compounds was determined with Invitrogen Z'-LYTE kinase assay kit Ser/Thr 1 peptide PV3174 by following the manufactur...


Chembiochem 10: 464-78 (2009)


Article DOI: 10.1002/cbic.200800600
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM84650
PNG
(TC-34)
Show SMILES CC(C)Nc1nc(nc2ccc(C=CC(C)(C)O)cc12)-c1ccco1
Show InChI InChI=1S/C20H23N3O2/c1-13(2)21-18-15-12-14(9-10-20(3,4)24)7-8-16(15)22-19(23-18)17-6-5-11-25-17/h5-13,24H,1-4H3,(H,21,22,23)
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n/an/a 1.62E+4n/an/an/an/a7.54



Parc de Recerca Biomedica de Barcelona



Assay Description
The IC50 for the different compounds was determined with Invitrogen Z'-LYTE kinase assay kit Ser/Thr 1 peptide PV3174 by following the manufactur...


Chembiochem 10: 464-78 (2009)


Article DOI: 10.1002/cbic.200800600
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM84650
PNG
(TC-34)
Show SMILES CC(C)Nc1nc(nc2ccc(C=CC(C)(C)O)cc12)-c1ccco1
Show InChI InChI=1S/C20H23N3O2/c1-13(2)21-18-15-12-14(9-10-20(3,4)24)7-8-16(15)22-19(23-18)17-6-5-11-25-17/h5-13,24H,1-4H3,(H,21,22,23)
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n/an/a 4.15E+4n/an/an/an/a7.54



Parc de Recerca Biomedica de Barcelona



Assay Description
The IC50 for the different compounds was determined with Invitrogen Z'-LYTE kinase assay kit Ser/Thr 1 peptide PV3174 by following the manufactur...


Chembiochem 10: 464-78 (2009)


Article DOI: 10.1002/cbic.200800600
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM84651
PNG
(TC-107)
Show SMILES OCC=Cc1ccc2ncnc(Nc3cccc(F)c3)c2c1
Show InChI InChI=1S/C17H14FN3O/c18-13-4-1-5-14(10-13)21-17-15-9-12(3-2-8-22)6-7-16(15)19-11-20-17/h1-7,9-11,22H,8H2,(H,19,20,21)
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n/an/a>1.00E+5n/an/an/an/a7.54



Parc de Recerca Biomedica de Barcelona



Assay Description
The IC50 for the different compounds was determined with Invitrogen Z'-LYTE kinase assay kit Ser/Thr 1 peptide PV3174 by following the manufactur...


Chembiochem 10: 464-78 (2009)


Article DOI: 10.1002/cbic.200800600
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM84649
PNG
(TC-28)
Show SMILES CC(C)Nc1nc(nc2ccc(cc12)C#CCO)-c1ccco1
Show InChI InChI=1S/C18H17N3O2/c1-12(2)19-17-14-11-13(5-3-9-22)7-8-15(14)20-18(21-17)16-6-4-10-23-16/h4,6-8,10-12,22H,9H2,1-2H3,(H,19,20,21)
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n/an/a>1.00E+5n/an/an/an/a7.54



Parc de Recerca Biomedica de Barcelona



Assay Description
The IC50 for the different compounds was determined with Invitrogen Z'-LYTE kinase assay kit Ser/Thr 1 peptide PV3174 by following the manufactur...


Chembiochem 10: 464-78 (2009)


Article DOI: 10.1002/cbic.200800600
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM84649
PNG
(TC-28)
Show SMILES CC(C)Nc1nc(nc2ccc(cc12)C#CCO)-c1ccco1
Show InChI InChI=1S/C18H17N3O2/c1-12(2)19-17-14-11-13(5-3-9-22)7-8-15(14)20-18(21-17)16-6-4-10-23-16/h4,6-8,10-12,22H,9H2,1-2H3,(H,19,20,21)
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n/an/a>1.00E+5n/an/an/an/a7.54



Parc de Recerca Biomedica de Barcelona



Assay Description
The IC50 for the different compounds was determined with Invitrogen Z'-LYTE kinase assay kit Ser/Thr 1 peptide PV3174 by following the manufactur...


Chembiochem 10: 464-78 (2009)


Article DOI: 10.1002/cbic.200800600
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM84650
PNG
(TC-34)
Show SMILES CC(C)Nc1nc(nc2ccc(C=CC(C)(C)O)cc12)-c1ccco1
Show InChI InChI=1S/C20H23N3O2/c1-13(2)21-18-15-12-14(9-10-20(3,4)24)7-8-16(15)22-19(23-18)17-6-5-11-25-17/h5-13,24H,1-4H3,(H,21,22,23)
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n/an/a>1.00E+5n/an/an/an/a7.54



Parc de Recerca Biomedica de Barcelona



Assay Description
The IC50 for the different compounds was determined with Invitrogen Z'-LYTE kinase assay kit Ser/Thr 1 peptide PV3174 by following the manufactur...


Chembiochem 10: 464-78 (2009)


Article DOI: 10.1002/cbic.200800600
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM84649
PNG
(TC-28)
Show SMILES CC(C)Nc1nc(nc2ccc(cc12)C#CCO)-c1ccco1
Show InChI InChI=1S/C18H17N3O2/c1-12(2)19-17-14-11-13(5-3-9-22)7-8-15(14)20-18(21-17)16-6-4-10-23-16/h4,6-8,10-12,22H,9H2,1-2H3,(H,19,20,21)
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n/an/a>1.00E+5n/an/an/an/a7.54



Parc de Recerca Biomedica de Barcelona



Assay Description
The IC50 for the different compounds was determined with Invitrogen Z'-LYTE kinase assay kit Ser/Thr 1 peptide PV3174 by following the manufactur...


Chembiochem 10: 464-78 (2009)


Article DOI: 10.1002/cbic.200800600
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM84649
PNG
(TC-28)
Show SMILES CC(C)Nc1nc(nc2ccc(cc12)C#CCO)-c1ccco1
Show InChI InChI=1S/C18H17N3O2/c1-12(2)19-17-14-11-13(5-3-9-22)7-8-15(14)20-18(21-17)16-6-4-10-23-16/h4,6-8,10-12,22H,9H2,1-2H3,(H,19,20,21)
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n/an/a>1.00E+5n/an/an/an/a7.54



Parc de Recerca Biomedica de Barcelona



Assay Description
The IC50 for the different compounds was determined with Invitrogen Z'-LYTE kinase assay kit Ser/Thr 1 peptide PV3174 by following the manufactur...


Chembiochem 10: 464-78 (2009)


Article DOI: 10.1002/cbic.200800600
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM84649
PNG
(TC-28)
Show SMILES CC(C)Nc1nc(nc2ccc(cc12)C#CCO)-c1ccco1
Show InChI InChI=1S/C18H17N3O2/c1-12(2)19-17-14-11-13(5-3-9-22)7-8-15(14)20-18(21-17)16-6-4-10-23-16/h4,6-8,10-12,22H,9H2,1-2H3,(H,19,20,21)
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n/an/a>1.00E+5n/an/an/an/a7.54



Parc de Recerca Biomedica de Barcelona



Assay Description
The IC50 for the different compounds was determined with Invitrogen Z'-LYTE kinase assay kit Ser/Thr 1 peptide PV3174 by following the manufactur...


Chembiochem 10: 464-78 (2009)


Article DOI: 10.1002/cbic.200800600
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM84651
PNG
(TC-107)
Show SMILES OCC=Cc1ccc2ncnc(Nc3cccc(F)c3)c2c1
Show InChI InChI=1S/C17H14FN3O/c18-13-4-1-5-14(10-13)21-17-15-9-12(3-2-8-22)6-7-16(15)19-11-20-17/h1-7,9-11,22H,8H2,(H,19,20,21)
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n/an/a>1.00E+5n/an/an/an/a7.54



Parc de Recerca Biomedica de Barcelona



Assay Description
The IC50 for the different compounds was determined with Invitrogen Z'-LYTE kinase assay kit Ser/Thr 1 peptide PV3174 by following the manufactur...


Chembiochem 10: 464-78 (2009)


Article DOI: 10.1002/cbic.200800600
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM84651
PNG
(TC-107)
Show SMILES OCC=Cc1ccc2ncnc(Nc3cccc(F)c3)c2c1
Show InChI InChI=1S/C17H14FN3O/c18-13-4-1-5-14(10-13)21-17-15-9-12(3-2-8-22)6-7-16(15)19-11-20-17/h1-7,9-11,22H,8H2,(H,19,20,21)
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n/an/a>1.00E+5n/an/an/an/a7.54



Parc de Recerca Biomedica de Barcelona



Assay Description
The IC50 for the different compounds was determined with Invitrogen Z'-LYTE kinase assay kit Ser/Thr 1 peptide PV3174 by following the manufactur...


Chembiochem 10: 464-78 (2009)


Article DOI: 10.1002/cbic.200800600
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM84649
PNG
(TC-28)
Show SMILES CC(C)Nc1nc(nc2ccc(cc12)C#CCO)-c1ccco1
Show InChI InChI=1S/C18H17N3O2/c1-12(2)19-17-14-11-13(5-3-9-22)7-8-15(14)20-18(21-17)16-6-4-10-23-16/h4,6-8,10-12,22H,9H2,1-2H3,(H,19,20,21)
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n/an/a>1.00E+5n/an/an/an/a7.54



Parc de Recerca Biomedica de Barcelona



Assay Description
The IC50 for the different compounds was determined with Invitrogen Z'-LYTE kinase assay kit Ser/Thr 1 peptide PV3174 by following the manufactur...


Chembiochem 10: 464-78 (2009)


Article DOI: 10.1002/cbic.200800600
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM84650
PNG
(TC-34)
Show SMILES CC(C)Nc1nc(nc2ccc(C=CC(C)(C)O)cc12)-c1ccco1
Show InChI InChI=1S/C20H23N3O2/c1-13(2)21-18-15-12-14(9-10-20(3,4)24)7-8-16(15)22-19(23-18)17-6-5-11-25-17/h5-13,24H,1-4H3,(H,21,22,23)
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n/an/a>1.00E+5n/an/an/an/a7.54



Parc de Recerca Biomedica de Barcelona



Assay Description
The IC50 for the different compounds was determined with Invitrogen Z'-LYTE kinase assay kit Ser/Thr 1 peptide PV3174 by following the manufactur...


Chembiochem 10: 464-78 (2009)


Article DOI: 10.1002/cbic.200800600
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM84650
PNG
(TC-34)
Show SMILES CC(C)Nc1nc(nc2ccc(C=CC(C)(C)O)cc12)-c1ccco1
Show InChI InChI=1S/C20H23N3O2/c1-13(2)21-18-15-12-14(9-10-20(3,4)24)7-8-16(15)22-19(23-18)17-6-5-11-25-17/h5-13,24H,1-4H3,(H,21,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/a7.54



Parc de Recerca Biomedica de Barcelona



Assay Description
The IC50 for the different compounds was determined with Invitrogen Z'-LYTE kinase assay kit Ser/Thr 1 peptide PV3174 by following the manufactur...


Chembiochem 10: 464-78 (2009)


Article DOI: 10.1002/cbic.200800600
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM84649
PNG
(TC-28)
Show SMILES CC(C)Nc1nc(nc2ccc(cc12)C#CCO)-c1ccco1
Show InChI InChI=1S/C18H17N3O2/c1-12(2)19-17-14-11-13(5-3-9-22)7-8-15(14)20-18(21-17)16-6-4-10-23-16/h4,6-8,10-12,22H,9H2,1-2H3,(H,19,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/a7.54



Parc de Recerca Biomedica de Barcelona



Assay Description
The IC50 for the different compounds was determined with Invitrogen Z'-LYTE kinase assay kit Ser/Thr 1 peptide PV3174 by following the manufactur...


Chembiochem 10: 464-78 (2009)


Article DOI: 10.1002/cbic.200800600
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM84651
PNG
(TC-107)
Show SMILES OCC=Cc1ccc2ncnc(Nc3cccc(F)c3)c2c1
Show InChI InChI=1S/C17H14FN3O/c18-13-4-1-5-14(10-13)21-17-15-9-12(3-2-8-22)6-7-16(15)19-11-20-17/h1-7,9-11,22H,8H2,(H,19,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/a7.54



Parc de Recerca Biomedica de Barcelona



Assay Description
The IC50 for the different compounds was determined with Invitrogen Z'-LYTE kinase assay kit Ser/Thr 1 peptide PV3174 by following the manufactur...


Chembiochem 10: 464-78 (2009)


Article DOI: 10.1002/cbic.200800600
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%