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PubMed code 19062275

Compile data set for download or QSAR
Found 39 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 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50266148
PNG
(CHEMBL465793 | N-(4-(3-(2-(methylamino)pyrimidin-4...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3[nH]2)c2ccccc12
Show InChI InChI=1S/C27H21N7O/c1-28-26-30-16-14-21(31-26)19-9-6-15-29-25(19)35-24-13-12-20(17-7-2-3-8-18(17)24)32-27-33-22-10-4-5-11-23(22)34-27/h2-16H,1H3,(H,28,30,31)(H2,32,33,34)
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n/an/a 1n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Tie2 (unknown origin)


Bioorg Med Chem Lett 19: 424-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.056
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))
BDBM50266221
PNG
(CHEMBL458023 | N-(3-methyl-4-(3-(2-(methylamino)py...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1c(C)cc(Nc2nc3ccccc3[nH]2)c2ccccc12
Show InChI InChI=1S/C28H23N7O/c1-17-16-24(35-28-33-22-11-5-6-12-23(22)34-28)18-8-3-4-9-19(18)25(17)36-26-20(10-7-14-30-26)21-13-15-31-27(29-2)32-21/h3-16H,1-2H3,(H,29,31,32)(H2,33,34,35)
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n/an/a 2n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Tie2


Bioorg Med Chem Lett 19: 424-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.056
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))
BDBM50266221
PNG
(CHEMBL458023 | N-(3-methyl-4-(3-(2-(methylamino)py...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1c(C)cc(Nc2nc3ccccc3[nH]2)c2ccccc12
Show InChI InChI=1S/C28H23N7O/c1-17-16-24(35-28-33-22-11-5-6-12-23(22)34-28)18-8-3-4-9-19(18)25(17)36-26-20(10-7-14-30-26)21-13-15-31-27(29-2)32-21/h3-16H,1-2H3,(H,29,31,32)(H2,33,34,35)
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n/an/a 2n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Tie2 (unknown origin)


Bioorg Med Chem Lett 19: 424-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.056
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))
BDBM50266091
PNG
(1-(3-methyl-4-(3-(2-(methylamino)pyrimidin-4-yl)py...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1C
Show InChI InChI=1S/C25H21F3N6O2/c1-15-13-18(33-24(35)32-17-6-3-5-16(14-17)25(26,27)28)8-9-21(15)36-22-19(7-4-11-30-22)20-10-12-31-23(29-2)34-20/h3-14H,1-2H3,(H,29,31,34)(H2,32,33,35)
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n/an/a 4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Tie2 (unknown origin)


Bioorg Med Chem Lett 19: 424-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.056
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))
BDBM50266149
PNG
(1-(4-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-y...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)Nc2ccccc2)c2ccccc12
Show InChI InChI=1S/C27H22N6O2/c1-28-26-30-17-15-23(32-26)21-12-7-16-29-25(21)35-24-14-13-22(19-10-5-6-11-20(19)24)33-27(34)31-18-8-3-2-4-9-18/h2-17H,1H3,(H,28,30,32)(H2,31,33,34)
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n/an/a 5n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Tie2 (unknown origin)


Bioorg Med Chem Lett 19: 424-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.056
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50266148
PNG
(CHEMBL465793 | N-(4-(3-(2-(methylamino)pyrimidin-4...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3[nH]2)c2ccccc12
Show InChI InChI=1S/C27H21N7O/c1-28-26-30-16-14-21(31-26)19-9-6-15-29-25(19)35-24-13-12-20(17-7-2-3-8-18(17)24)32-27-33-22-10-4-5-11-23(22)34-27/h2-16H,1H3,(H,28,30,31)(H2,32,33,34)
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n/an/a 10n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B


Bioorg Med Chem Lett 19: 424-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.056
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))
BDBM14983
PNG
(4-Methyl-3-(3-(2-(methylamino)pyrimidin-4-yl)pyrid...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1cc(ccc1C)C(=O)Nc1cc(ccc1N1CCOCC1)C(F)(F)F
Show InChI InChI=1S/C29H27F3N6O3/c1-18-5-6-19(16-25(18)41-27-21(4-3-10-34-27)22-9-11-35-28(33-2)37-22)26(39)36-23-17-20(29(30,31)32)7-8-24(23)38-12-14-40-15-13-38/h3-11,16-17H,12-15H2,1-2H3,(H,36,39)(H,33,35,37)
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n/an/a 10n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Tie2 (unknown origin)


Bioorg Med Chem Lett 19: 424-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.056
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50266187
PNG
(CHEMBL456463 | N-(4-(3-(2-(methylamino)pyrimidin-4...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3o2)c2ccccc12
Show InChI InChI=1S/C27H20N6O2/c1-28-26-30-16-14-21(31-26)19-9-6-15-29-25(19)34-23-13-12-20(17-7-2-3-8-18(17)23)32-27-33-22-10-4-5-11-24(22)35-27/h2-16H,1H3,(H,32,33)(H,28,30,31)
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n/an/a 16n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Tie2 (unknown origin)


Bioorg Med Chem Lett 19: 424-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.056
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50266148
PNG
(CHEMBL465793 | N-(4-(3-(2-(methylamino)pyrimidin-4...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3[nH]2)c2ccccc12
Show InChI InChI=1S/C27H21N7O/c1-28-26-30-16-14-21(31-26)19-9-6-15-29-25(19)35-24-13-12-20(17-7-2-3-8-18(17)24)32-27-33-22-10-4-5-11-23(22)34-27/h2-16H,1H3,(H,28,30,31)(H2,32,33,34)
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n/an/a 19n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora A


Bioorg Med Chem Lett 19: 424-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.056
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))
BDBM50266148
PNG
(CHEMBL465793 | N-(4-(3-(2-(methylamino)pyrimidin-4...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3[nH]2)c2ccccc12
Show InChI InChI=1S/C27H21N7O/c1-28-26-30-16-14-21(31-26)19-9-6-15-29-25(19)35-24-13-12-20(17-7-2-3-8-18(17)24)32-27-33-22-10-4-5-11-23(22)34-27/h2-16H,1H3,(H,28,30,31)(H2,32,33,34)
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n/an/a 20n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Tie2 autophosphorylation in human Ea.hy926 cells


Bioorg Med Chem Lett 19: 424-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.056
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))
BDBM50266118
PNG
(CHEMBL516817 | N-(3-methyl-4-(3-(2-(methylamino)py...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3[nH]2)cc1C
Show InChI InChI=1S/C24H21N7O/c1-15-14-16(28-24-30-19-7-3-4-8-20(19)31-24)9-10-21(15)32-22-17(6-5-12-26-22)18-11-13-27-23(25-2)29-18/h3-14H,1-2H3,(H,25,27,29)(H2,28,30,31)
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n/an/a 23n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Tie2 (unknown origin)


Bioorg Med Chem Lett 19: 424-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.056
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))
BDBM50266185
PNG
(CHEMBL463323 | N-(4-(3-(2-(methylamino)pyrimidin-4...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccc(cc3[nH]2)C(F)(F)F)c2ccccc12
Show InChI InChI=1S/C28H20F3N7O/c1-32-26-34-14-12-21(35-26)19-7-4-13-33-25(19)39-24-11-10-20(17-5-2-3-6-18(17)24)36-27-37-22-9-8-16(28(29,30)31)15-23(22)38-27/h2-15H,1H3,(H,32,34,35)(H2,36,37,38)
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n/an/a 27n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Tie2 (unknown origin)


Bioorg Med Chem Lett 19: 424-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.056
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50266221
PNG
(CHEMBL458023 | N-(3-methyl-4-(3-(2-(methylamino)py...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1c(C)cc(Nc2nc3ccccc3[nH]2)c2ccccc12
Show InChI InChI=1S/C28H23N7O/c1-17-16-24(35-28-33-22-11-5-6-12-23(22)34-28)18-8-3-4-9-19(18)25(17)36-26-20(10-7-14-30-26)21-13-15-31-27(29-2)32-21/h3-16H,1-2H3,(H,29,31,32)(H2,33,34,35)
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n/an/a 28n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora A


Bioorg Med Chem Lett 19: 424-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.056
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))
BDBM50266187
PNG
(CHEMBL456463 | N-(4-(3-(2-(methylamino)pyrimidin-4...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3o2)c2ccccc12
Show InChI InChI=1S/C27H20N6O2/c1-28-26-30-16-14-21(31-26)19-9-6-15-29-25(19)34-23-13-12-20(17-7-2-3-8-18(17)23)32-27-33-22-10-4-5-11-24(22)35-27/h2-16H,1H3,(H,32,33)(H,28,30,31)
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n/an/a 30n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR


Bioorg Med Chem Lett 19: 424-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.056
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))
BDBM50266091
PNG
(1-(3-methyl-4-(3-(2-(methylamino)pyrimidin-4-yl)py...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1C
Show InChI InChI=1S/C25H21F3N6O2/c1-15-13-18(33-24(35)32-17-6-3-5-16(14-17)25(26,27)28)8-9-21(15)36-22-19(7-4-11-30-22)20-10-12-31-23(29-2)34-20/h3-14H,1-2H3,(H,29,31,34)(H2,32,33,35)
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n/an/a 34n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR


Bioorg Med Chem Lett 19: 424-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.056
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))
BDBM50266149
PNG
(1-(4-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-y...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)Nc2ccccc2)c2ccccc12
Show InChI InChI=1S/C27H22N6O2/c1-28-26-30-17-15-23(32-26)21-12-7-16-29-25(21)35-24-14-13-22(19-10-5-6-11-20(19)24)33-27(34)31-18-8-3-2-4-9-18/h2-17H,1H3,(H,28,30,32)(H2,31,33,34)
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n/an/a 40n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR


Bioorg Med Chem Lett 19: 424-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.056
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))
BDBM50266188
PNG
(CHEMBL456683 | N-(4-(3-(2-(methylamino)pyrimidin-4...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3s2)c2ccccc12
Show InChI InChI=1S/C27H20N6OS/c1-28-26-30-16-14-21(31-26)19-9-6-15-29-25(19)34-23-13-12-20(17-7-2-3-8-18(17)23)32-27-33-22-10-4-5-11-24(22)35-27/h2-16H,1H3,(H,32,33)(H,28,30,31)
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n/an/a 44n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Tie2 (unknown origin)


Bioorg Med Chem Lett 19: 424-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.056
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))
BDBM50266185
PNG
(CHEMBL463323 | N-(4-(3-(2-(methylamino)pyrimidin-4...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccc(cc3[nH]2)C(F)(F)F)c2ccccc12
Show InChI InChI=1S/C28H20F3N7O/c1-32-26-34-14-12-21(35-26)19-7-4-13-33-25(19)39-24-11-10-20(17-5-2-3-6-18(17)24)36-27-37-22-9-8-16(28(29,30)31)15-23(22)38-27/h2-15H,1H3,(H,32,34,35)(H2,36,37,38)
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n/an/a 69n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR


Bioorg Med Chem Lett 19: 424-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.056
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aurora kinase B


(Homo sapiens (Human))
BDBM50266221
PNG
(CHEMBL458023 | N-(3-methyl-4-(3-(2-(methylamino)py...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1c(C)cc(Nc2nc3ccccc3[nH]2)c2ccccc12
Show InChI InChI=1S/C28H23N7O/c1-17-16-24(35-28-33-22-11-5-6-12-23(22)34-28)18-8-3-4-9-19(18)25(17)36-26-20(10-7-14-30-26)21-13-15-31-27(29-2)32-21/h3-16H,1-2H3,(H,29,31,32)(H2,33,34,35)
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n/an/a 80n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B


Bioorg Med Chem Lett 19: 424-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.056
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))
BDBM50266188
PNG
(CHEMBL456683 | N-(4-(3-(2-(methylamino)pyrimidin-4...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3s2)c2ccccc12
Show InChI InChI=1S/C27H20N6OS/c1-28-26-30-16-14-21(31-26)19-9-6-15-29-25(19)34-23-13-12-20(17-7-2-3-8-18(17)23)32-27-33-22-10-4-5-11-24(22)35-27/h2-16H,1H3,(H,32,33)(H,28,30,31)
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n/an/a 88n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR


Bioorg Med Chem Lett 19: 424-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.056
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))
BDBM50266150
PNG
(7-methyl-N-(4-(3-(2-(methylamino)pyrimidin-4-yl)py...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3c(C)cccc3[nH]2)c2ccccc12
Show InChI InChI=1S/C28H23N7O/c1-17-7-5-11-23-25(17)35-28(34-23)33-21-12-13-24(19-9-4-3-8-18(19)21)36-26-20(10-6-15-30-26)22-14-16-31-27(29-2)32-22/h3-16H,1-2H3,(H,29,31,32)(H2,33,34,35)
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n/an/a 110n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Tie2 (unknown origin)


Bioorg Med Chem Lett 19: 424-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.056
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))
BDBM50266186
PNG
(1-methyl-N-(4-(3-(2-(methylamino)pyrimidin-4-yl)py...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3n2C)c2ccccc12
Show InChI InChI=1S/C28H23N7O/c1-29-27-31-17-15-22(32-27)20-10-7-16-30-26(20)36-25-14-13-21(18-8-3-4-9-19(18)25)33-28-34-23-11-5-6-12-24(23)35(28)2/h3-17H,1-2H3,(H,33,34)(H,29,31,32)
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n/an/a 240n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Tie2 (unknown origin)


Bioorg Med Chem Lett 19: 424-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.056
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))
BDBM50266186
PNG
(1-methyl-N-(4-(3-(2-(methylamino)pyrimidin-4-yl)py...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3n2C)c2ccccc12
Show InChI InChI=1S/C28H23N7O/c1-29-27-31-17-15-22(32-27)20-10-7-16-30-26(20)36-25-14-13-21(18-8-3-4-9-19(18)25)33-28-34-23-11-5-6-12-24(23)35(28)2/h3-17H,1-2H3,(H,33,34)(H,29,31,32)
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n/an/a 250n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR


Bioorg Med Chem Lett 19: 424-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.056
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))
BDBM50266118
PNG
(CHEMBL516817 | N-(3-methyl-4-(3-(2-(methylamino)py...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3[nH]2)cc1C
Show InChI InChI=1S/C24H21N7O/c1-15-14-16(28-24-30-19-7-3-4-8-20(19)31-24)9-10-21(15)32-22-17(6-5-12-26-22)18-11-13-27-23(25-2)29-18/h3-14H,1-2H3,(H,25,27,29)(H2,28,30,31)
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n/an/a 250n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Tie2


Bioorg Med Chem Lett 19: 424-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.056
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))
BDBM50266119
PNG
(CHEMBL462082 | N-(4-(3-(2-(methylamino)pyrimidin-4...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3[nH]2)cc1
Show InChI InChI=1S/C23H19N7O/c1-24-22-26-14-12-18(28-22)17-5-4-13-25-21(17)31-16-10-8-15(9-11-16)27-23-29-19-6-2-3-7-20(19)30-23/h2-14H,1H3,(H,24,26,28)(H2,27,29,30)
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n/an/a 250n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Tie2 (unknown origin)


Bioorg Med Chem Lett 19: 424-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.056
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))
BDBM50266147
PNG
(CHEMBL465792 | N-(2,3-dimethyl-4-(3-(2-(methylamin...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3[nH]2)c(C)c1C
Show InChI InChI=1S/C25H23N7O/c1-15-16(2)22(11-10-18(15)29-25-31-20-8-4-5-9-21(20)32-25)33-23-17(7-6-13-27-23)19-12-14-28-24(26-3)30-19/h4-14H,1-3H3,(H,26,28,30)(H2,29,31,32)
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n/an/a 310n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Tie2 (unknown origin)


Bioorg Med Chem Lett 19: 424-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.056
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))
BDBM14983
PNG
(4-Methyl-3-(3-(2-(methylamino)pyrimidin-4-yl)pyrid...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1cc(ccc1C)C(=O)Nc1cc(ccc1N1CCOCC1)C(F)(F)F
Show InChI InChI=1S/C29H27F3N6O3/c1-18-5-6-19(16-25(18)41-27-21(4-3-10-34-27)22-9-11-35-28(33-2)37-22)26(39)36-23-17-20(29(30,31)32)7-8-24(23)38-12-14-40-15-13-38/h3-11,16-17H,12-15H2,1-2H3,(H,36,39)(H,33,35,37)
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n/an/a 310n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR


Bioorg Med Chem Lett 19: 424-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.056
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))
BDBM50266117
PNG
(1-(3-methyl-4-(3-(2-(methylamino)pyrimidin-4-yl)py...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)Nc2ccccc2)cc1C
Show InChI InChI=1S/C24H22N6O2/c1-16-15-18(29-24(31)28-17-7-4-3-5-8-17)10-11-21(16)32-22-19(9-6-13-26-22)20-12-14-27-23(25-2)30-20/h3-15H,1-2H3,(H,25,27,30)(H2,28,29,31)
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n/an/a 460n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Tie2 (unknown origin)


Bioorg Med Chem Lett 19: 424-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.056
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))
BDBM50266092
PNG
(CHEMBL468618 | N-(3-methyl-4-(3-(2-(methylamino)py...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccc(cc3[nH]2)C(F)(F)F)cc1C
Show InChI InChI=1S/C25H20F3N7O/c1-14-12-16(32-24-34-19-7-5-15(25(26,27)28)13-20(19)35-24)6-8-21(14)36-22-17(4-3-10-30-22)18-9-11-31-23(29-2)33-18/h3-13H,1-2H3,(H,29,31,33)(H2,32,34,35)
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n/an/a 470n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Tie2 (unknown origin)


Bioorg Med Chem Lett 19: 424-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.056
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))
BDBM50266120
PNG
(CHEMBL462083 | N-(2-methyl-4-(3-(2-(methylamino)py...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3[nH]2)c(C)c1
Show InChI InChI=1S/C24H21N7O/c1-15-14-16(9-10-18(15)28-24-30-20-7-3-4-8-21(20)31-24)32-22-17(6-5-12-26-22)19-11-13-27-23(25-2)29-19/h3-14H,1-2H3,(H,25,27,29)(H2,28,30,31)
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n/an/a 590n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Tie2 (unknown origin)


Bioorg Med Chem Lett 19: 424-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.056
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))
BDBM50266148
PNG
(CHEMBL465793 | N-(4-(3-(2-(methylamino)pyrimidin-4...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3[nH]2)c2ccccc12
Show InChI InChI=1S/C27H21N7O/c1-28-26-30-16-14-21(31-26)19-9-6-15-29-25(19)35-24-13-12-20(17-7-2-3-8-18(17)24)32-27-33-22-10-4-5-11-23(22)34-27/h2-16H,1H3,(H,28,30,31)(H2,32,33,34)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR


Bioorg Med Chem Lett 19: 424-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.056
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))
BDBM50266150
PNG
(7-methyl-N-(4-(3-(2-(methylamino)pyrimidin-4-yl)py...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3c(C)cccc3[nH]2)c2ccccc12
Show InChI InChI=1S/C28H23N7O/c1-17-7-5-11-23-25(17)35-28(34-23)33-21-12-13-24(19-9-4-3-8-18(19)21)36-26-20(10-6-15-30-26)22-14-16-31-27(29-2)32-22/h3-16H,1-2H3,(H,29,31,32)(H2,33,34,35)
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n/an/a 1.57E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR


Bioorg Med Chem Lett 19: 424-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.056
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))
BDBM50266221
PNG
(CHEMBL458023 | N-(3-methyl-4-(3-(2-(methylamino)py...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1c(C)cc(Nc2nc3ccccc3[nH]2)c2ccccc12
Show InChI InChI=1S/C28H23N7O/c1-17-16-24(35-28-33-22-11-5-6-12-23(22)34-28)18-8-3-4-9-19(18)25(17)36-26-20(10-7-14-30-26)21-13-15-31-27(29-2)32-21/h3-16H,1-2H3,(H,29,31,32)(H2,33,34,35)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR


Bioorg Med Chem Lett 19: 424-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.056
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))
BDBM50266092
PNG
(CHEMBL468618 | N-(3-methyl-4-(3-(2-(methylamino)py...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccc(cc3[nH]2)C(F)(F)F)cc1C
Show InChI InChI=1S/C25H20F3N7O/c1-14-12-16(32-24-34-19-7-5-15(25(26,27)28)13-20(19)35-24)6-8-21(14)36-22-17(4-3-10-30-22)18-9-11-31-23(29-2)33-18/h3-13H,1-2H3,(H,29,31,33)(H2,32,34,35)
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n/an/a 6.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR


Bioorg Med Chem Lett 19: 424-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.056
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))
BDBM50266117
PNG
(1-(3-methyl-4-(3-(2-(methylamino)pyrimidin-4-yl)py...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)Nc2ccccc2)cc1C
Show InChI InChI=1S/C24H22N6O2/c1-16-15-18(29-24(31)28-17-7-4-3-5-8-17)10-11-21(16)32-22-19(9-6-13-26-22)20-12-14-27-23(25-2)30-20/h3-15H,1-2H3,(H,25,27,30)(H2,28,29,31)
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n/an/a 7.60E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR


Bioorg Med Chem Lett 19: 424-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.056
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))
BDBM50266118
PNG
(CHEMBL516817 | N-(3-methyl-4-(3-(2-(methylamino)py...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3[nH]2)cc1C
Show InChI InChI=1S/C24H21N7O/c1-15-14-16(28-24-30-19-7-3-4-8-20(19)31-24)9-10-21(15)32-22-17(6-5-12-26-22)18-11-13-27-23(25-2)29-18/h3-14H,1-2H3,(H,25,27,29)(H2,28,30,31)
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n/an/a>2.50E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR


Bioorg Med Chem Lett 19: 424-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.056
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))
BDBM50266120
PNG
(CHEMBL462083 | N-(2-methyl-4-(3-(2-(methylamino)py...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3[nH]2)c(C)c1
Show InChI InChI=1S/C24H21N7O/c1-15-14-16(9-10-18(15)28-24-30-20-7-3-4-8-21(20)31-24)32-22-17(6-5-12-26-22)19-11-13-27-23(25-2)29-19/h3-14H,1-2H3,(H,25,27,29)(H2,28,30,31)
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n/an/a>2.50E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR


Bioorg Med Chem Lett 19: 424-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.056
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))
BDBM50266119
PNG
(CHEMBL462082 | N-(4-(3-(2-(methylamino)pyrimidin-4...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3[nH]2)cc1
Show InChI InChI=1S/C23H19N7O/c1-24-22-26-14-12-18(28-22)17-5-4-13-25-21(17)31-16-10-8-15(9-11-16)27-23-29-19-6-2-3-7-20(19)30-23/h2-14H,1H3,(H,24,26,28)(H2,27,29,30)
PDB
MMDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.50E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR


Bioorg Med Chem Lett 19: 424-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.056
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))
BDBM50266147
PNG
(CHEMBL465792 | N-(2,3-dimethyl-4-(3-(2-(methylamin...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3[nH]2)c(C)c1C
Show InChI InChI=1S/C25H23N7O/c1-15-16(2)22(11-10-18(15)29-25-31-20-8-4-5-9-21(20)32-25)33-23-17(7-6-13-27-23)19-12-14-28-24(26-3)30-19/h4-14H,1-3H3,(H,26,28,30)(H2,29,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.50E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR


Bioorg Med Chem Lett 19: 424-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.056
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%