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PubMed code 20459125

Compile data set for download or QSAR
Found 60 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))
BDBM50319571
PNG
(CHEMBL1084451 | N-(4-(3-(2-((1-ethylpiperidin-4-yl...)
Show SMILES CCN1CCC(CNc2nccc(n2)-c2cccnc2Oc2ccc(Nc3nc4ccccc4[nH]3)c3ccccc23)CC1
Show InChI InChI=1S/C34H34N8O/c1-2-42-20-16-23(17-21-42)22-37-33-36-19-15-28(38-33)26-10-7-18-35-32(26)43-31-14-13-27(24-8-3-4-9-25(24)31)39-34-40-29-11-5-6-12-30(29)41-34/h3-15,18-19,23H,2,16-17,20-22H2,1H3,(H,36,37,38)(H2,39,40,41)
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n/an/a 1n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Tie2


J Med Chem 53: 4502-10 (2010)


Article DOI: 10.1021/jm100301x
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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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Tie2


J Med Chem 53: 4502-10 (2010)


Article DOI: 10.1021/jm100301x
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))
BDBM50319572
PNG
(CHEMBL1084452 | N-(4-(3-(2-(2-(1-methylpyrrolidin-...)
Show SMILES CN1CCCC1CCNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3[nH]2)c2ccccc12
Show InChI InChI=1S/C33H32N8O/c1-41-21-7-8-22(41)16-19-35-32-36-20-17-27(37-32)25-11-6-18-34-31(25)42-30-15-14-26(23-9-2-3-10-24(23)30)38-33-39-28-12-4-5-13-29(28)40-33/h2-6,9-15,17-18,20,22H,7-8,16,19,21H2,1H3,(H,35,36,37)(H2,38,39,40)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Tie2


J Med Chem 53: 4502-10 (2010)


Article DOI: 10.1021/jm100301x
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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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Tie2


J Med Chem 53: 4502-10 (2010)


Article DOI: 10.1021/jm100301x
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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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Tie2


J Med Chem 53: 4502-10 (2010)


Article DOI: 10.1021/jm100301x
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 9n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B


J Med Chem 53: 4502-10 (2010)


Article DOI: 10.1021/jm100301x
More data for this
Ligand-Target Pair
Aurora kinase A


(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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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora A


J Med Chem 53: 4502-10 (2010)


Article DOI: 10.1021/jm100301x
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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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Tie2


J Med Chem 53: 4502-10 (2010)


Article DOI: 10.1021/jm100301x
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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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora A


J Med Chem 53: 4502-10 (2010)


Article DOI: 10.1021/jm100301x
More data for this
Ligand-Target Pair
Aurora kinase B


(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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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B


J Med Chem 53: 4502-10 (2010)


Article DOI: 10.1021/jm100301x
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(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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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of LCK


J Med Chem 53: 4502-10 (2010)


Article DOI: 10.1021/jm100301x
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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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Tie2


J Med Chem 53: 4502-10 (2010)


Article DOI: 10.1021/jm100301x
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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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora A


J Med Chem 53: 4502-10 (2010)


Article DOI: 10.1021/jm100301x
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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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR


J Med Chem 53: 4502-10 (2010)


Article DOI: 10.1021/jm100301x
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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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR


J Med Chem 53: 4502-10 (2010)


Article DOI: 10.1021/jm100301x
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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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Tie2


J Med Chem 53: 4502-10 (2010)


Article DOI: 10.1021/jm100301x
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50319572
PNG
(CHEMBL1084452 | N-(4-(3-(2-(2-(1-methylpyrrolidin-...)
Show SMILES CN1CCCC1CCNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3[nH]2)c2ccccc12
Show InChI InChI=1S/C33H32N8O/c1-41-21-7-8-22(41)16-19-35-32-36-20-17-27(37-32)25-11-6-18-34-31(25)42-30-15-14-26(23-9-2-3-10-24(23)30)38-33-39-28-12-4-5-13-29(28)40-33/h2-6,9-15,17-18,20,22H,7-8,16,19,21H2,1H3,(H,35,36,37)(H2,38,39,40)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B


J Med Chem 53: 4502-10 (2010)


Article DOI: 10.1021/jm100301x
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))
BDBM50319570
PNG
(1-ethyl-3-(4-(3-(2-(methylamino)pyrimidin-4-yl)pyr...)
Show SMILES CCNC(=O)Nc1ccc(Oc2ncccc2-c2ccnc(NC)n2)c2ccccc12
Show InChI InChI=1S/C23H22N6O2/c1-3-25-23(30)29-18-10-11-20(16-8-5-4-7-15(16)18)31-21-17(9-6-13-26-21)19-12-14-27-22(24-2)28-19/h4-14H,3H2,1-2H3,(H,24,27,28)(H2,25,29,30)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR


J Med Chem 53: 4502-10 (2010)


Article DOI: 10.1021/jm100301x
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(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 48n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of LCK


J Med Chem 53: 4502-10 (2010)


Article DOI: 10.1021/jm100301x
More data for this
Ligand-Target Pair
Aurora kinase A


(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 52n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora A


J Med Chem 53: 4502-10 (2010)


Article DOI: 10.1021/jm100301x
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50319569
PNG
(1-tert-butyl-3-(4-(3-(2-(methylamino)pyrimidin-4-y...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)NC(C)(C)C)c2ccccc12
Show InChI InChI=1S/C25H26N6O2/c1-25(2,3)31-24(32)30-19-11-12-21(17-9-6-5-8-16(17)19)33-22-18(10-7-14-27-22)20-13-15-28-23(26-4)29-20/h5-15H,1-4H3,(H,26,28,29)(H2,30,31,32)
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n/an/a 55n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B


J Med Chem 53: 4502-10 (2010)


Article DOI: 10.1021/jm100301x
More data for this
Ligand-Target Pair
Aurora kinase B


(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 56n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B


J Med Chem 53: 4502-10 (2010)


Article DOI: 10.1021/jm100301x
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 70n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR


J Med Chem 53: 4502-10 (2010)


Article DOI: 10.1021/jm100301x
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 77n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B


J Med Chem 53: 4502-10 (2010)


Article DOI: 10.1021/jm100301x
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(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 80n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of LCK


J Med Chem 53: 4502-10 (2010)


Article DOI: 10.1021/jm100301x
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))
BDBM50319573
PNG
(CHEMBL1084453 | N1-(4-(2-(4-(1H-benzo[d]imidazol-2...)
Show SMILES CN(C)CC(C)(C)CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3[nH]2)c2ccccc12
Show InChI InChI=1S/C33H34N8O/c1-33(2,21-41(3)4)20-36-31-35-19-17-26(37-31)24-12-9-18-34-30(24)42-29-16-15-25(22-10-5-6-11-23(22)29)38-32-39-27-13-7-8-14-28(27)40-32/h5-19H,20-21H2,1-4H3,(H,35,36,37)(H2,38,39,40)
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n/an/a 82n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Tie2


J Med Chem 53: 4502-10 (2010)


Article DOI: 10.1021/jm100301x
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))
BDBM50319574
PNG
(CHEMBL1086334 | N-(4-(3-(2-(methylamino)pyrimidin-...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccncc3[nH]2)c2ccccc12
Show InChI InChI=1S/C26H20N8O/c1-27-25-30-14-11-20(31-25)18-7-4-12-29-24(18)35-23-9-8-19(16-5-2-3-6-17(16)23)32-26-33-21-10-13-28-15-22(21)34-26/h2-15H,1H3,(H,27,30,31)(H2,32,33,34)
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n/an/a 86n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Tie2


J Med Chem 53: 4502-10 (2010)


Article DOI: 10.1021/jm100301x
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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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR


J Med Chem 53: 4502-10 (2010)


Article DOI: 10.1021/jm100301x
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50319571
PNG
(CHEMBL1084451 | N-(4-(3-(2-((1-ethylpiperidin-4-yl...)
Show SMILES CCN1CCC(CNc2nccc(n2)-c2cccnc2Oc2ccc(Nc3nc4ccccc4[nH]3)c3ccccc23)CC1
Show InChI InChI=1S/C34H34N8O/c1-2-42-20-16-23(17-21-42)22-37-33-36-19-15-28(38-33)26-10-7-18-35-32(26)43-31-14-13-27(24-8-3-4-9-25(24)31)39-34-40-29-11-5-6-12-30(29)41-34/h3-15,18-19,23H,2,16-17,20-22H2,1H3,(H,36,37,38)(H2,39,40,41)
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n/an/a 100n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B


J Med Chem 53: 4502-10 (2010)


Article DOI: 10.1021/jm100301x
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50319570
PNG
(1-ethyl-3-(4-(3-(2-(methylamino)pyrimidin-4-yl)pyr...)
Show SMILES CCNC(=O)Nc1ccc(Oc2ncccc2-c2ccnc(NC)n2)c2ccccc12
Show InChI InChI=1S/C23H22N6O2/c1-3-25-23(30)29-18-10-11-20(16-8-5-4-7-15(16)18)31-21-17(9-6-13-26-21)19-12-14-27-22(24-2)28-19/h4-14H,3H2,1-2H3,(H,24,27,28)(H2,25,29,30)
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n/an/a 130n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B


J Med Chem 53: 4502-10 (2010)


Article DOI: 10.1021/jm100301x
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(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 132n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of LCK


J Med Chem 53: 4502-10 (2010)


Article DOI: 10.1021/jm100301x
More data for this
Ligand-Target Pair
Aurora kinase B


(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 134n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B


J Med Chem 53: 4502-10 (2010)


Article DOI: 10.1021/jm100301x
More data for this
Ligand-Target Pair
Aurora kinase A


(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 141n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora A


J Med Chem 53: 4502-10 (2010)


Article DOI: 10.1021/jm100301x
More data for this
Ligand-Target Pair
Aurora kinase B


(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 143n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B


J Med Chem 53: 4502-10 (2010)


Article DOI: 10.1021/jm100301x
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))
BDBM50319569
PNG
(1-tert-butyl-3-(4-(3-(2-(methylamino)pyrimidin-4-y...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)NC(C)(C)C)c2ccccc12
Show InChI InChI=1S/C25H26N6O2/c1-25(2,3)31-24(32)30-19-11-12-21(17-9-6-5-8-16(17)19)33-22-18(10-7-14-27-22)20-13-15-28-23(26-4)29-20/h5-15H,1-4H3,(H,26,28,29)(H2,30,31,32)
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n/an/a 215n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Tie2


J Med Chem 53: 4502-10 (2010)


Article DOI: 10.1021/jm100301x
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50319569
PNG
(1-tert-butyl-3-(4-(3-(2-(methylamino)pyrimidin-4-y...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)NC(C)(C)C)c2ccccc12
Show InChI InChI=1S/C25H26N6O2/c1-25(2,3)31-24(32)30-19-11-12-21(17-9-6-5-8-16(17)19)33-22-18(10-7-14-27-22)20-13-15-28-23(26-4)29-20/h5-15H,1-4H3,(H,26,28,29)(H2,30,31,32)
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n/an/a 225n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora A


J Med Chem 53: 4502-10 (2010)


Article DOI: 10.1021/jm100301x
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))
BDBM50319570
PNG
(1-ethyl-3-(4-(3-(2-(methylamino)pyrimidin-4-yl)pyr...)
Show SMILES CCNC(=O)Nc1ccc(Oc2ncccc2-c2ccnc(NC)n2)c2ccccc12
Show InChI InChI=1S/C23H22N6O2/c1-3-25-23(30)29-18-10-11-20(16-8-5-4-7-15(16)18)31-21-17(9-6-13-26-21)19-12-14-27-22(24-2)28-19/h4-14H,3H2,1-2H3,(H,24,27,28)(H2,25,29,30)
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n/an/a 248n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Tie2


J Med Chem 53: 4502-10 (2010)


Article DOI: 10.1021/jm100301x
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50319572
PNG
(CHEMBL1084452 | N-(4-(3-(2-(2-(1-methylpyrrolidin-...)
Show SMILES CN1CCCC1CCNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3[nH]2)c2ccccc12
Show InChI InChI=1S/C33H32N8O/c1-41-21-7-8-22(41)16-19-35-32-36-20-17-27(37-32)25-11-6-18-34-31(25)42-30-15-14-26(23-9-2-3-10-24(23)30)38-33-39-28-12-4-5-13-29(28)40-33/h2-6,9-15,17-18,20,22H,7-8,16,19,21H2,1H3,(H,35,36,37)(H2,38,39,40)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of LCK


J Med Chem 53: 4502-10 (2010)


Article DOI: 10.1021/jm100301x
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(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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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of LCK


J Med Chem 53: 4502-10 (2010)


Article DOI: 10.1021/jm100301x
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50319572
PNG
(CHEMBL1084452 | N-(4-(3-(2-(2-(1-methylpyrrolidin-...)
Show SMILES CN1CCCC1CCNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3[nH]2)c2ccccc12
Show InChI InChI=1S/C33H32N8O/c1-41-21-7-8-22(41)16-19-35-32-36-20-17-27(37-32)25-11-6-18-34-31(25)42-30-15-14-26(23-9-2-3-10-24(23)30)38-33-39-28-12-4-5-13-29(28)40-33/h2-6,9-15,17-18,20,22H,7-8,16,19,21H2,1H3,(H,35,36,37)(H2,38,39,40)
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n/an/a 327n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora A


J Med Chem 53: 4502-10 (2010)


Article DOI: 10.1021/jm100301x
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50319571
PNG
(CHEMBL1084451 | N-(4-(3-(2-((1-ethylpiperidin-4-yl...)
Show SMILES CCN1CCC(CNc2nccc(n2)-c2cccnc2Oc2ccc(Nc3nc4ccccc4[nH]3)c3ccccc23)CC1
Show InChI InChI=1S/C34H34N8O/c1-2-42-20-16-23(17-21-42)22-37-33-36-19-15-28(38-33)26-10-7-18-35-32(26)43-31-14-13-27(24-8-3-4-9-25(24)31)39-34-40-29-11-5-6-12-30(29)41-34/h3-15,18-19,23H,2,16-17,20-22H2,1H3,(H,36,37,38)(H2,39,40,41)
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n/an/a 332n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora A


J Med Chem 53: 4502-10 (2010)


Article DOI: 10.1021/jm100301x
More data for this
Ligand-Target Pair
Aurora kinase A


(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 380n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora A


J Med Chem 53: 4502-10 (2010)


Article DOI: 10.1021/jm100301x
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50319571
PNG
(CHEMBL1084451 | N-(4-(3-(2-((1-ethylpiperidin-4-yl...)
Show SMILES CCN1CCC(CNc2nccc(n2)-c2cccnc2Oc2ccc(Nc3nc4ccccc4[nH]3)c3ccccc23)CC1
Show InChI InChI=1S/C34H34N8O/c1-2-42-20-16-23(17-21-42)22-37-33-36-19-15-28(38-33)26-10-7-18-35-32(26)43-31-14-13-27(24-8-3-4-9-25(24)31)39-34-40-29-11-5-6-12-30(29)41-34/h3-15,18-19,23H,2,16-17,20-22H2,1H3,(H,36,37,38)(H2,39,40,41)
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n/an/a 387n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of LCK


J Med Chem 53: 4502-10 (2010)


Article DOI: 10.1021/jm100301x
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(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 405n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of LCK


J Med Chem 53: 4502-10 (2010)


Article DOI: 10.1021/jm100301x
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50319574
PNG
(CHEMBL1086334 | N-(4-(3-(2-(methylamino)pyrimidin-...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccncc3[nH]2)c2ccccc12
Show InChI InChI=1S/C26H20N8O/c1-27-25-30-14-11-20(31-25)18-7-4-12-29-24(18)35-23-9-8-19(16-5-2-3-6-17(16)23)32-26-33-21-10-13-28-15-22(21)34-26/h2-15H,1H3,(H,27,30,31)(H2,32,33,34)
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n/an/a 454n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B


J Med Chem 53: 4502-10 (2010)


Article DOI: 10.1021/jm100301x
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50319570
PNG
(1-ethyl-3-(4-(3-(2-(methylamino)pyrimidin-4-yl)pyr...)
Show SMILES CCNC(=O)Nc1ccc(Oc2ncccc2-c2ccnc(NC)n2)c2ccccc12
Show InChI InChI=1S/C23H22N6O2/c1-3-25-23(30)29-18-10-11-20(16-8-5-4-7-15(16)18)31-21-17(9-6-13-26-21)19-12-14-27-22(24-2)28-19/h4-14H,3H2,1-2H3,(H,24,27,28)(H2,25,29,30)
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n/an/a 534n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora A


J Med Chem 53: 4502-10 (2010)


Article DOI: 10.1021/jm100301x
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50319573
PNG
(CHEMBL1084453 | N1-(4-(2-(4-(1H-benzo[d]imidazol-2...)
Show SMILES CN(C)CC(C)(C)CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3[nH]2)c2ccccc12
Show InChI InChI=1S/C33H34N8O/c1-33(2,21-41(3)4)20-36-31-35-19-17-26(37-31)24-12-9-18-34-30(24)42-29-16-15-25(22-10-5-6-11-23(22)29)38-32-39-27-13-7-8-14-28(27)40-32/h5-19H,20-21H2,1-4H3,(H,35,36,37)(H2,38,39,40)
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n/an/a 759n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B


J Med Chem 53: 4502-10 (2010)


Article DOI: 10.1021/jm100301x
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50319574
PNG
(CHEMBL1086334 | N-(4-(3-(2-(methylamino)pyrimidin-...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccncc3[nH]2)c2ccccc12
Show InChI InChI=1S/C26H20N8O/c1-27-25-30-14-11-20(31-25)18-7-4-12-29-24(18)35-23-9-8-19(16-5-2-3-6-17(16)23)32-26-33-21-10-13-28-15-22(21)34-26/h2-15H,1H3,(H,27,30,31)(H2,32,33,34)
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n/an/a 1.07E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora A


J Med Chem 53: 4502-10 (2010)


Article DOI: 10.1021/jm100301x
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 1.38E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR


J Med Chem 53: 4502-10 (2010)


Article DOI: 10.1021/jm100301x
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50319573
PNG
(CHEMBL1084453 | N1-(4-(2-(4-(1H-benzo[d]imidazol-2...)
Show SMILES CN(C)CC(C)(C)CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3[nH]2)c2ccccc12
Show InChI InChI=1S/C33H34N8O/c1-33(2,21-41(3)4)20-36-31-35-19-17-26(37-31)24-12-9-18-34-30(24)42-29-16-15-25(22-10-5-6-11-23(22)29)38-32-39-27-13-7-8-14-28(27)40-32/h5-19H,20-21H2,1-4H3,(H,35,36,37)(H2,38,39,40)
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n/an/a 1.66E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora A


J Med Chem 53: 4502-10 (2010)


Article DOI: 10.1021/jm100301x
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))
BDBM50319571
PNG
(CHEMBL1084451 | N-(4-(3-(2-((1-ethylpiperidin-4-yl...)
Show SMILES CCN1CCC(CNc2nccc(n2)-c2cccnc2Oc2ccc(Nc3nc4ccccc4[nH]3)c3ccccc23)CC1
Show InChI InChI=1S/C34H34N8O/c1-2-42-20-16-23(17-21-42)22-37-33-36-19-15-28(38-33)26-10-7-18-35-32(26)43-31-14-13-27(24-8-3-4-9-25(24)31)39-34-40-29-11-5-6-12-30(29)41-34/h3-15,18-19,23H,2,16-17,20-22H2,1H3,(H,36,37,38)(H2,39,40,41)
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n/an/a 1.75E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR


J Med Chem 53: 4502-10 (2010)


Article DOI: 10.1021/jm100301x
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50319570
PNG
(1-ethyl-3-(4-(3-(2-(methylamino)pyrimidin-4-yl)pyr...)
Show SMILES CCNC(=O)Nc1ccc(Oc2ncccc2-c2ccnc(NC)n2)c2ccccc12
Show InChI InChI=1S/C23H22N6O2/c1-3-25-23(30)29-18-10-11-20(16-8-5-4-7-15(16)18)31-21-17(9-6-13-26-21)19-12-14-27-22(24-2)28-19/h4-14H,3H2,1-2H3,(H,24,27,28)(H2,25,29,30)
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n/an/a 1.86E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of LCK


J Med Chem 53: 4502-10 (2010)


Article DOI: 10.1021/jm100301x
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))
BDBM50319572
PNG
(CHEMBL1084452 | N-(4-(3-(2-(2-(1-methylpyrrolidin-...)
Show SMILES CN1CCCC1CCNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3[nH]2)c2ccccc12
Show InChI InChI=1S/C33H32N8O/c1-41-21-7-8-22(41)16-19-35-32-36-20-17-27(37-32)25-11-6-18-34-31(25)42-30-15-14-26(23-9-2-3-10-24(23)30)38-33-39-28-12-4-5-13-29(28)40-33/h2-6,9-15,17-18,20,22H,7-8,16,19,21H2,1H3,(H,35,36,37)(H2,38,39,40)
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n/an/a 2.06E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR


J Med Chem 53: 4502-10 (2010)


Article DOI: 10.1021/jm100301x
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))
BDBM50319569
PNG
(1-tert-butyl-3-(4-(3-(2-(methylamino)pyrimidin-4-y...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)NC(C)(C)C)c2ccccc12
Show InChI InChI=1S/C25H26N6O2/c1-25(2,3)31-24(32)30-19-11-12-21(17-9-6-5-8-16(17)19)33-22-18(10-7-14-27-22)20-13-15-28-23(26-4)29-20/h5-15H,1-4H3,(H,26,28,29)(H2,30,31,32)
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n/an/a 2.22E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR


J Med Chem 53: 4502-10 (2010)


Article DOI: 10.1021/jm100301x
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50319569
PNG
(1-tert-butyl-3-(4-(3-(2-(methylamino)pyrimidin-4-y...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)NC(C)(C)C)c2ccccc12
Show InChI InChI=1S/C25H26N6O2/c1-25(2,3)31-24(32)30-19-11-12-21(17-9-6-5-8-16(17)19)33-22-18(10-7-14-27-22)20-13-15-28-23(26-4)29-20/h5-15H,1-4H3,(H,26,28,29)(H2,30,31,32)
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n/an/a 4.09E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of LCK


J Med Chem 53: 4502-10 (2010)


Article DOI: 10.1021/jm100301x
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50319574
PNG
(CHEMBL1086334 | N-(4-(3-(2-(methylamino)pyrimidin-...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccncc3[nH]2)c2ccccc12
Show InChI InChI=1S/C26H20N8O/c1-27-25-30-14-11-20(31-25)18-7-4-12-29-24(18)35-23-9-8-19(16-5-2-3-6-17(16)23)32-26-33-21-10-13-28-15-22(21)34-26/h2-15H,1H3,(H,27,30,31)(H2,32,33,34)
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n/an/a 4.80E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of LCK


J Med Chem 53: 4502-10 (2010)


Article DOI: 10.1021/jm100301x
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))
BDBM50319574
PNG
(CHEMBL1086334 | N-(4-(3-(2-(methylamino)pyrimidin-...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccncc3[nH]2)c2ccccc12
Show InChI InChI=1S/C26H20N8O/c1-27-25-30-14-11-20(31-25)18-7-4-12-29-24(18)35-23-9-8-19(16-5-2-3-6-17(16)23)32-26-33-21-10-13-28-15-22(21)34-26/h2-15H,1H3,(H,27,30,31)(H2,32,33,34)
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n/an/a 6.36E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR


J Med Chem 53: 4502-10 (2010)


Article DOI: 10.1021/jm100301x
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))
BDBM50319573
PNG
(CHEMBL1084453 | N1-(4-(2-(4-(1H-benzo[d]imidazol-2...)
Show SMILES CN(C)CC(C)(C)CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3[nH]2)c2ccccc12
Show InChI InChI=1S/C33H34N8O/c1-33(2,21-41(3)4)20-36-31-35-19-17-26(37-31)24-12-9-18-34-30(24)42-29-16-15-25(22-10-5-6-11-23(22)29)38-32-39-27-13-7-8-14-28(27)40-32/h5-19H,20-21H2,1-4H3,(H,35,36,37)(H2,38,39,40)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR


J Med Chem 53: 4502-10 (2010)


Article DOI: 10.1021/jm100301x
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50319573
PNG
(CHEMBL1084453 | N1-(4-(2-(4-(1H-benzo[d]imidazol-2...)
Show SMILES CN(C)CC(C)(C)CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3[nH]2)c2ccccc12
Show InChI InChI=1S/C33H34N8O/c1-33(2,21-41(3)4)20-36-31-35-19-17-26(37-31)24-12-9-18-34-30(24)42-29-16-15-25(22-10-5-6-11-23(22)29)38-32-39-27-13-7-8-14-28(27)40-32/h5-19H,20-21H2,1-4H3,(H,35,36,37)(H2,38,39,40)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of LCK


J Med Chem 53: 4502-10 (2010)


Article DOI: 10.1021/jm100301x
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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR


J Med Chem 53: 4502-10 (2010)


Article DOI: 10.1021/jm100301x
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%