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PubMed code 20684549

Compile data set for download or QSAR
Found 76 hits of Enzyme Inhibition Constant Data   
Target
(Institution)
LigandTarget
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 B/Inner centromere protein


(Homo sapiens (Human))
BDBM50326206
PNG
(CHEMBL1243200 | N-(4-(3-(2-(Methylamino)pyrimidin-...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2ccccc2Nc2ccccc2)cc1
Show InChI InChI=1S/C29H24N6O2/c1-30-29-32-19-17-26(35-29)24-11-7-18-31-28(24)37-22-15-13-21(14-16-22)34-27(36)23-10-5-6-12-25(23)33-20-8-3-2-4-9-20/h2-19,33H,1H3,(H,34,36)(H,30,32,35)
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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 by HTRF assay


J Med Chem 53: 6368-77 (2010)

More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50326208
PNG
(4-(4-Fluorophenyl)-N-(4-(3-(2-(methylamino)pyrimid...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nnc(-c3ccc(F)cc3)c3ccccc23)cc1
Show InChI InChI=1S/C30H22FN7O/c1-32-30-34-18-16-26(36-30)25-7-4-17-33-29(25)39-22-14-12-21(13-15-22)35-28-24-6-3-2-5-23(24)27(37-38-28)19-8-10-20(31)11-9-19/h2-18H,1H3,(H,35,38)(H,32,34,36)
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n/an/a 15n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B by HTRF assay


J Med Chem 53: 6368-77 (2010)

More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50326204
PNG
(CHEMBL1243137 | N-(3-Methyl-4-(3-(2-(methylamino)p...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2ccccc2Nc2ccccc2)cc1C
Show InChI InChI=1S/C30H26N6O2/c1-20-19-22(35-28(37)23-11-6-7-13-25(23)34-21-9-4-3-5-10-21)14-15-27(20)38-29-24(12-8-17-32-29)26-16-18-33-30(31-2)36-26/h3-19,34H,1-2H3,(H,35,37)(H,31,33,36)
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n/an/a 17n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B by HTRF assay


J Med Chem 53: 6368-77 (2010)

More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50326207
PNG
(CHEMBL1243294 | N-(4-(3-(2-(Methylamino)pyrimidin-...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nnc(-c3ccccc3)c3ccccc23)cc1
Show InChI InChI=1S/C30H23N7O/c1-31-30-33-19-17-26(35-30)25-12-7-18-32-29(25)38-22-15-13-21(14-16-22)34-28-24-11-6-5-10-23(24)27(36-37-28)20-8-3-2-4-9-20/h2-19H,1H3,(H,34,37)(H,31,33,35)
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n/an/a 22n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B by HTRF assay


J Med Chem 53: 6368-77 (2010)

More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50326202
PNG
(CHEMBL1243042 | N-(3-Methyl-4-(3-(2-(methylamino)p...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2ccccc2Oc2ccccc2)cc1C
Show InChI InChI=1S/C30H25N5O3/c1-20-19-21(34-28(36)24-11-6-7-13-27(24)37-22-9-4-3-5-10-22)14-15-26(20)38-29-23(12-8-17-32-29)25-16-18-33-30(31-2)35-25/h3-19H,1-2H3,(H,34,36)(H,31,33,35)
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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 by HTRF assay


J Med Chem 53: 6368-77 (2010)

More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50326198
PNG
(CHEMBL1242977 | N-(3-Methyl-4-(3-(2-(methylamino)p...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C
Show InChI InChI=1S/C25H20F3N5O2/c1-15-13-18(32-22(34)16-5-3-6-17(14-16)25(26,27)28)8-9-21(15)35-23-19(7-4-11-30-23)20-10-12-31-24(29-2)33-20/h3-14H,1-2H3,(H,32,34)(H,29,31,33)
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n/an/a 66n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B by HTRF assay


J Med Chem 53: 6368-77 (2010)

More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50326205
PNG
(CHEMBL1243167 | N-(2-Methyl-4-(3-(2-(methylamino)p...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2ccccc2Nc2ccccc2)c(C)c1
Show InChI InChI=1S/C30H26N6O2/c1-20-19-22(38-29-24(12-8-17-32-29)27-16-18-33-30(31-2)36-27)14-15-25(20)35-28(37)23-11-6-7-13-26(23)34-21-9-4-3-5-10-21/h3-19,34H,1-2H3,(H,35,37)(H,31,33,36)
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n/an/a 110n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B by HTRF assay


J Med Chem 53: 6368-77 (2010)

More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50326203
PNG
(CHEMBL1243073 | N-(3-Methyl-4-(3-(2-(methylamino)p...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2cccc(Oc3ccccc3)c2)cc1C
Show InChI InChI=1S/C30H25N5O3/c1-20-18-22(34-28(36)21-8-6-11-24(19-21)37-23-9-4-3-5-10-23)13-14-27(20)38-29-25(12-7-16-32-29)26-15-17-33-30(31-2)35-26/h3-19H,1-2H3,(H,34,36)(H,31,33,35)
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n/an/a 251n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B by HTRF assay


J Med Chem 53: 6368-77 (2010)

More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50326201
PNG
(4-Chloro-N-(3-methyl-4-(3-(2-(methylamino)pyrimidi...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2ccc(Cl)cc2)cc1C
Show InChI InChI=1S/C24H20ClN5O2/c1-15-14-18(29-22(31)16-5-7-17(25)8-6-16)9-10-21(15)32-23-19(4-3-12-27-23)20-11-13-28-24(26-2)30-20/h3-14H,1-2H3,(H,29,31)(H,26,28,30)
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n/an/a 335n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B by HTRF assay


J Med Chem 53: 6368-77 (2010)

More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM50326198
PNG
(CHEMBL1242977 | N-(3-Methyl-4-(3-(2-(methylamino)p...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C
Show InChI InChI=1S/C25H20F3N5O2/c1-15-13-18(32-22(34)16-5-3-6-17(14-16)25(26,27)28)8-9-21(15)35-23-19(7-4-11-30-23)20-10-12-31-24(29-2)33-20/h3-14H,1-2H3,(H,32,34)(H,29,31,33)
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n/an/a 385n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of LCK by HTRF assay


J Med Chem 53: 6368-77 (2010)

More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50326200
PNG
(3-Chloro-N-(3-methyl-4-(3-(2-(methylamino)pyrimidi...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2cccc(Cl)c2)cc1C
Show InChI InChI=1S/C24H20ClN5O2/c1-15-13-18(29-22(31)16-5-3-6-17(25)14-16)8-9-21(15)32-23-19(7-4-11-27-23)20-10-12-28-24(26-2)30-20/h3-14H,1-2H3,(H,29,31)(H,26,28,30)
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n/an/a 430n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B by HTRF assay


J Med Chem 53: 6368-77 (2010)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50326198
PNG
(CHEMBL1242977 | N-(3-Methyl-4-(3-(2-(methylamino)p...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C
Show InChI InChI=1S/C25H20F3N5O2/c1-15-13-18(32-22(34)16-5-3-6-17(14-16)25(26,27)28)8-9-21(15)35-23-19(7-4-11-30-23)20-10-12-31-24(29-2)33-20/h3-14H,1-2H3,(H,32,34)(H,29,31,33)
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n/an/a 503n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Abl by HTRF assay


J Med Chem 53: 6368-77 (2010)

More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50326209
PNG
(CHEMBL1243108 | N-(3-Methyl-4-(3-(2-(methylamino)p...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2ccc(Oc3ccccc3)cc2)cc1C
Show InChI InChI=1S/C30H25N5O3/c1-20-19-22(34-28(36)21-10-13-24(14-11-21)37-23-7-4-3-5-8-23)12-15-27(20)38-29-25(9-6-17-32-29)26-16-18-33-30(31-2)35-26/h3-19H,1-2H3,(H,34,36)(H,31,33,35)
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n/an/a 542n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B by HTRF assay


J Med Chem 53: 6368-77 (2010)

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))
BDBM50326198
PNG
(CHEMBL1242977 | N-(3-Methyl-4-(3-(2-(methylamino)p...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C
Show InChI InChI=1S/C25H20F3N5O2/c1-15-13-18(32-22(34)16-5-3-6-17(14-16)25(26,27)28)8-9-21(15)35-23-19(7-4-11-30-23)20-10-12-31-24(29-2)33-20/h3-14H,1-2H3,(H,32,34)(H,29,31,33)
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n/an/a 630n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Tie-2 by HTRF assay


J Med Chem 53: 6368-77 (2010)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (human))
BDBM50326206
PNG
(CHEMBL1243200 | N-(4-(3-(2-(Methylamino)pyrimidin-...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2ccccc2Nc2ccccc2)cc1
Show InChI InChI=1S/C29H24N6O2/c1-30-29-32-19-17-26(35-29)24-11-7-18-31-28(24)37-22-15-13-21(14-16-22)34-27(36)23-10-5-6-12-25(23)33-20-8-3-2-4-9-20/h2-19,33H,1H3,(H,34,36)(H,30,32,35)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of p70s6k by HTRF assay


J Med Chem 53: 6368-77 (2010)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50326206
PNG
(CHEMBL1243200 | N-(4-(3-(2-(Methylamino)pyrimidin-...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2ccccc2Nc2ccccc2)cc1
Show InChI InChI=1S/C29H24N6O2/c1-30-29-32-19-17-26(35-29)24-11-7-18-31-28(24)37-22-15-13-21(14-16-22)34-27(36)23-10-5-6-12-25(23)33-20-8-3-2-4-9-20/h2-19,33H,1H3,(H,34,36)(H,30,32,35)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Erk1 by HTRF assay


J Med Chem 53: 6368-77 (2010)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50326206
PNG
(CHEMBL1243200 | N-(4-(3-(2-(Methylamino)pyrimidin-...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2ccccc2Nc2ccccc2)cc1
Show InChI InChI=1S/C29H24N6O2/c1-30-29-32-19-17-26(35-29)24-11-7-18-31-28(24)37-22-15-13-21(14-16-22)34-27(36)23-10-5-6-12-25(23)33-20-8-3-2-4-9-20/h2-19,33H,1H3,(H,34,36)(H,30,32,35)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK5 by HTRF assay


J Med Chem 53: 6368-77 (2010)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50326206
PNG
(CHEMBL1243200 | N-(4-(3-(2-(Methylamino)pyrimidin-...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2ccccc2Nc2ccccc2)cc1
Show InChI InChI=1S/C29H24N6O2/c1-30-29-32-19-17-26(35-29)24-11-7-18-31-28(24)37-22-15-13-21(14-16-22)34-27(36)23-10-5-6-12-25(23)33-20-8-3-2-4-9-20/h2-19,33H,1H3,(H,34,36)(H,30,32,35)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PKBalpha by HTRF assay


J Med Chem 53: 6368-77 (2010)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase


(Homo sapiens (human))
BDBM50326206
PNG
(CHEMBL1243200 | N-(4-(3-(2-(Methylamino)pyrimidin-...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2ccccc2Nc2ccccc2)cc1
Show InChI InChI=1S/C29H24N6O2/c1-30-29-32-19-17-26(35-29)24-11-7-18-31-28(24)37-22-15-13-21(14-16-22)34-27(36)23-10-5-6-12-25(23)33-20-8-3-2-4-9-20/h2-19,33H,1H3,(H,34,36)(H,30,32,35)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK2 by HTRF assay


J Med Chem 53: 6368-77 (2010)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50326206
PNG
(CHEMBL1243200 | N-(4-(3-(2-(Methylamino)pyrimidin-...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2ccccc2Nc2ccccc2)cc1
Show InChI InChI=1S/C29H24N6O2/c1-30-29-32-19-17-26(35-29)24-11-7-18-31-28(24)37-22-15-13-21(14-16-22)34-27(36)23-10-5-6-12-25(23)33-20-8-3-2-4-9-20/h2-19,33H,1H3,(H,34,36)(H,30,32,35)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of JNK2 by HTRF assay


J Med Chem 53: 6368-77 (2010)

More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50326206
PNG
(CHEMBL1243200 | N-(4-(3-(2-(Methylamino)pyrimidin-...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2ccccc2Nc2ccccc2)cc1
Show InChI InChI=1S/C29H24N6O2/c1-30-29-32-19-17-26(35-29)24-11-7-18-31-28(24)37-22-15-13-21(14-16-22)34-27(36)23-10-5-6-12-25(23)33-20-8-3-2-4-9-20/h2-19,33H,1H3,(H,34,36)(H,30,32,35)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-Met by HTRF assay


J Med Chem 53: 6368-77 (2010)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase


(Homo sapiens (human))
BDBM50326206
PNG
(CHEMBL1243200 | N-(4-(3-(2-(Methylamino)pyrimidin-...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2ccccc2Nc2ccccc2)cc1
Show InChI InChI=1S/C29H24N6O2/c1-30-29-32-19-17-26(35-29)24-11-7-18-31-28(24)37-22-15-13-21(14-16-22)34-27(36)23-10-5-6-12-25(23)33-20-8-3-2-4-9-20/h2-19,33H,1H3,(H,34,36)(H,30,32,35)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK1 by HTRF assay


J Med Chem 53: 6368-77 (2010)

More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM50326206
PNG
(CHEMBL1243200 | N-(4-(3-(2-(Methylamino)pyrimidin-...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2ccccc2Nc2ccccc2)cc1
Show InChI InChI=1S/C29H24N6O2/c1-30-29-32-19-17-26(35-29)24-11-7-18-31-28(24)37-22-15-13-21(14-16-22)34-27(36)23-10-5-6-12-25(23)33-20-8-3-2-4-9-20/h2-19,33H,1H3,(H,34,36)(H,30,32,35)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of EphB4 by HTRF assay


J Med Chem 53: 6368-77 (2010)

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50326206
PNG
(CHEMBL1243200 | N-(4-(3-(2-(Methylamino)pyrimidin-...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2ccccc2Nc2ccccc2)cc1
Show InChI InChI=1S/C29H24N6O2/c1-30-29-32-19-17-26(35-29)24-11-7-18-31-28(24)37-22-15-13-21(14-16-22)34-27(36)23-10-5-6-12-25(23)33-20-8-3-2-4-9-20/h2-19,33H,1H3,(H,34,36)(H,30,32,35)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of IGFR1 by HTRF assay


J Med Chem 53: 6368-77 (2010)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM50326206
PNG
(CHEMBL1243200 | N-(4-(3-(2-(Methylamino)pyrimidin-...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2ccccc2Nc2ccccc2)cc1
Show InChI InChI=1S/C29H24N6O2/c1-30-29-32-19-17-26(35-29)24-11-7-18-31-28(24)37-22-15-13-21(14-16-22)34-27(36)23-10-5-6-12-25(23)33-20-8-3-2-4-9-20/h2-19,33H,1H3,(H,34,36)(H,30,32,35)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of BTK by HTRF assay


J Med Chem 53: 6368-77 (2010)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50326206
PNG
(CHEMBL1243200 | N-(4-(3-(2-(Methylamino)pyrimidin-...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2ccccc2Nc2ccccc2)cc1
Show InChI InChI=1S/C29H24N6O2/c1-30-29-32-19-17-26(35-29)24-11-7-18-31-28(24)37-22-15-13-21(14-16-22)34-27(36)23-10-5-6-12-25(23)33-20-8-3-2-4-9-20/h2-19,33H,1H3,(H,34,36)(H,30,32,35)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Jak2 by HTRF assay


J Med Chem 53: 6368-77 (2010)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50326206
PNG
(CHEMBL1243200 | N-(4-(3-(2-(Methylamino)pyrimidin-...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2ccccc2Nc2ccccc2)cc1
Show InChI InChI=1S/C29H24N6O2/c1-30-29-32-19-17-26(35-29)24-11-7-18-31-28(24)37-22-15-13-21(14-16-22)34-27(36)23-10-5-6-12-25(23)33-20-8-3-2-4-9-20/h2-19,33H,1H3,(H,34,36)(H,30,32,35)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of EGFR by HTRF assay


J Med Chem 53: 6368-77 (2010)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (human))
BDBM50326206
PNG
(CHEMBL1243200 | N-(4-(3-(2-(Methylamino)pyrimidin-...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2ccccc2Nc2ccccc2)cc1
Show InChI InChI=1S/C29H24N6O2/c1-30-29-32-19-17-26(35-29)24-11-7-18-31-28(24)37-22-15-13-21(14-16-22)34-27(36)23-10-5-6-12-25(23)33-20-8-3-2-4-9-20/h2-19,33H,1H3,(H,34,36)(H,30,32,35)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Zap70 by HTRF assay


J Med Chem 53: 6368-77 (2010)

More data for this
Ligand-Target Pair
JAK3/JAK1


(Homo sapiens (Human))
BDBM50326206
PNG
(CHEMBL1243200 | N-(4-(3-(2-(Methylamino)pyrimidin-...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2ccccc2Nc2ccccc2)cc1
Show InChI InChI=1S/C29H24N6O2/c1-30-29-32-19-17-26(35-29)24-11-7-18-31-28(24)37-22-15-13-21(14-16-22)34-27(36)23-10-5-6-12-25(23)33-20-8-3-2-4-9-20/h2-19,33H,1H3,(H,34,36)(H,30,32,35)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Jak3 by HTRF assay


J Med Chem 53: 6368-77 (2010)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM50326206
PNG
(CHEMBL1243200 | N-(4-(3-(2-(Methylamino)pyrimidin-...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2ccccc2Nc2ccccc2)cc1
Show InChI InChI=1S/C29H24N6O2/c1-30-29-32-19-17-26(35-29)24-11-7-18-31-28(24)37-22-15-13-21(14-16-22)34-27(36)23-10-5-6-12-25(23)33-20-8-3-2-4-9-20/h2-19,33H,1H3,(H,34,36)(H,30,32,35)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PLK1 by HTRF assay


J Med Chem 53: 6368-77 (2010)

More data for this
Ligand-Target Pair
VEGF-receptor 2 and stem cell growth factor receptor (KDR and KIT)


(Homo sapiens (human))
BDBM50326198
PNG
(CHEMBL1242977 | N-(3-Methyl-4-(3-(2-(methylamino)p...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C
Show InChI InChI=1S/C25H20F3N5O2/c1-15-13-18(32-22(34)16-5-3-6-17(14-16)25(26,27)28)8-9-21(15)35-23-19(7-4-11-30-23)20-10-12-31-24(29-2)33-20/h3-14H,1-2H3,(H,32,34)(H,29,31,33)
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n/an/a 1.35E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-Kit by HTRF assay


J Med Chem 53: 6368-77 (2010)

More data for this
Ligand-Target Pair
Macrophage colony stimulating factor receptor


(Homo sapiens (human))
BDBM50326198
PNG
(CHEMBL1242977 | N-(3-Methyl-4-(3-(2-(methylamino)p...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C
Show InChI InChI=1S/C25H20F3N5O2/c1-15-13-18(32-22(34)16-5-3-6-17(14-16)25(26,27)28)8-9-21(15)35-23-19(7-4-11-30-23)20-10-12-31-24(29-2)33-20/h3-14H,1-2H3,(H,32,34)(H,29,31,33)
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n/an/a 1.58E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-Fms by HTRF assay


J Med Chem 53: 6368-77 (2010)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (human))
BDBM50326198
PNG
(CHEMBL1242977 | N-(3-Methyl-4-(3-(2-(methylamino)p...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C
Show InChI InChI=1S/C25H20F3N5O2/c1-15-13-18(32-22(34)16-5-3-6-17(14-16)25(26,27)28)8-9-21(15)35-23-19(7-4-11-30-23)20-10-12-31-24(29-2)33-20/h3-14H,1-2H3,(H,32,34)(H,29,31,33)
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n/an/a 3.27E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


J Med Chem 53: 6368-77 (2010)

More data for this
Ligand-Target Pair
VEGF-receptor 2 and tyrosine-protein kinase SRC


(Homo sapiens (Human))
BDBM50326198
PNG
(CHEMBL1242977 | N-(3-Methyl-4-(3-(2-(methylamino)p...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C
Show InChI InChI=1S/C25H20F3N5O2/c1-15-13-18(32-22(34)16-5-3-6-17(14-16)25(26,27)28)8-9-21(15)35-23-19(7-4-11-30-23)20-10-12-31-24(29-2)33-20/h3-14H,1-2H3,(H,32,34)(H,29,31,33)
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n/an/a 5.75E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src by HTRF assay


J Med Chem 53: 6368-77 (2010)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50326198
PNG
(CHEMBL1242977 | N-(3-Methyl-4-(3-(2-(methylamino)p...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C
Show InChI InChI=1S/C25H20F3N5O2/c1-15-13-18(32-22(34)16-5-3-6-17(14-16)25(26,27)28)8-9-21(15)35-23-19(7-4-11-30-23)20-10-12-31-24(29-2)33-20/h3-14H,1-2H3,(H,32,34)(H,29,31,33)
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n/an/a>8.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK5 by HTRF assay


J Med Chem 53: 6368-77 (2010)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50326198
PNG
(CHEMBL1242977 | N-(3-Methyl-4-(3-(2-(methylamino)p...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C
Show InChI InChI=1S/C25H20F3N5O2/c1-15-13-18(32-22(34)16-5-3-6-17(14-16)25(26,27)28)8-9-21(15)35-23-19(7-4-11-30-23)20-10-12-31-24(29-2)33-20/h3-14H,1-2H3,(H,32,34)(H,29,31,33)
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n/an/a>8.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PKBalpha by HTRF assay


J Med Chem 53: 6368-77 (2010)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50326198
PNG
(CHEMBL1242977 | N-(3-Methyl-4-(3-(2-(methylamino)p...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C
Show InChI InChI=1S/C25H20F3N5O2/c1-15-13-18(32-22(34)16-5-3-6-17(14-16)25(26,27)28)8-9-21(15)35-23-19(7-4-11-30-23)20-10-12-31-24(29-2)33-20/h3-14H,1-2H3,(H,32,34)(H,29,31,33)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Jak2 by HTRF assay


J Med Chem 53: 6368-77 (2010)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (human))
BDBM50326198
PNG
(CHEMBL1242977 | N-(3-Methyl-4-(3-(2-(methylamino)p...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C
Show InChI InChI=1S/C25H20F3N5O2/c1-15-13-18(32-22(34)16-5-3-6-17(14-16)25(26,27)28)8-9-21(15)35-23-19(7-4-11-30-23)20-10-12-31-24(29-2)33-20/h3-14H,1-2H3,(H,32,34)(H,29,31,33)
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n/an/a>8.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of p70s6k by HTRF assay


J Med Chem 53: 6368-77 (2010)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50326198
PNG
(CHEMBL1242977 | N-(3-Methyl-4-(3-(2-(methylamino)p...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C
Show InChI InChI=1S/C25H20F3N5O2/c1-15-13-18(32-22(34)16-5-3-6-17(14-16)25(26,27)28)8-9-21(15)35-23-19(7-4-11-30-23)20-10-12-31-24(29-2)33-20/h3-14H,1-2H3,(H,32,34)(H,29,31,33)
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n/an/a>8.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of JNK2 by HTRF assay


J Med Chem 53: 6368-77 (2010)

More data for this
Ligand-Target Pair
JAK3/JAK1


(Homo sapiens (Human))
BDBM50326198
PNG
(CHEMBL1242977 | N-(3-Methyl-4-(3-(2-(methylamino)p...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C
Show InChI InChI=1S/C25H20F3N5O2/c1-15-13-18(32-22(34)16-5-3-6-17(14-16)25(26,27)28)8-9-21(15)35-23-19(7-4-11-30-23)20-10-12-31-24(29-2)33-20/h3-14H,1-2H3,(H,32,34)(H,29,31,33)
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n/an/a>8.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Jak3 by HTRF assay


J Med Chem 53: 6368-77 (2010)

More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM50326198
PNG
(CHEMBL1242977 | N-(3-Methyl-4-(3-(2-(methylamino)p...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C
Show InChI InChI=1S/C25H20F3N5O2/c1-15-13-18(32-22(34)16-5-3-6-17(14-16)25(26,27)28)8-9-21(15)35-23-19(7-4-11-30-23)20-10-12-31-24(29-2)33-20/h3-14H,1-2H3,(H,32,34)(H,29,31,33)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of EphB4 by HTRF assay


J Med Chem 53: 6368-77 (2010)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50326198
PNG
(CHEMBL1242977 | N-(3-Methyl-4-(3-(2-(methylamino)p...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C
Show InChI InChI=1S/C25H20F3N5O2/c1-15-13-18(32-22(34)16-5-3-6-17(14-16)25(26,27)28)8-9-21(15)35-23-19(7-4-11-30-23)20-10-12-31-24(29-2)33-20/h3-14H,1-2H3,(H,32,34)(H,29,31,33)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of EGFR by HTRF assay


J Med Chem 53: 6368-77 (2010)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50326198
PNG
(CHEMBL1242977 | N-(3-Methyl-4-(3-(2-(methylamino)p...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C
Show InChI InChI=1S/C25H20F3N5O2/c1-15-13-18(32-22(34)16-5-3-6-17(14-16)25(26,27)28)8-9-21(15)35-23-19(7-4-11-30-23)20-10-12-31-24(29-2)33-20/h3-14H,1-2H3,(H,32,34)(H,29,31,33)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Erk1 by HTRF assay


J Med Chem 53: 6368-77 (2010)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (human))
BDBM50326198
PNG
(CHEMBL1242977 | N-(3-Methyl-4-(3-(2-(methylamino)p...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C
Show InChI InChI=1S/C25H20F3N5O2/c1-15-13-18(32-22(34)16-5-3-6-17(14-16)25(26,27)28)8-9-21(15)35-23-19(7-4-11-30-23)20-10-12-31-24(29-2)33-20/h3-14H,1-2H3,(H,32,34)(H,29,31,33)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Zap70 by HTRF assay


J Med Chem 53: 6368-77 (2010)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM50326198
PNG
(CHEMBL1242977 | N-(3-Methyl-4-(3-(2-(methylamino)p...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C
Show InChI InChI=1S/C25H20F3N5O2/c1-15-13-18(32-22(34)16-5-3-6-17(14-16)25(26,27)28)8-9-21(15)35-23-19(7-4-11-30-23)20-10-12-31-24(29-2)33-20/h3-14H,1-2H3,(H,32,34)(H,29,31,33)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of BTK by HTRF assay


J Med Chem 53: 6368-77 (2010)

More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (human))
BDBM50326198
PNG
(CHEMBL1242977 | N-(3-Methyl-4-(3-(2-(methylamino)p...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C
Show InChI InChI=1S/C25H20F3N5O2/c1-15-13-18(32-22(34)16-5-3-6-17(14-16)25(26,27)28)8-9-21(15)35-23-19(7-4-11-30-23)20-10-12-31-24(29-2)33-20/h3-14H,1-2H3,(H,32,34)(H,29,31,33)
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n/an/a 8.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of P38alpha by HTRF assay


J Med Chem 53: 6368-77 (2010)

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50326198
PNG
(CHEMBL1242977 | N-(3-Methyl-4-(3-(2-(methylamino)p...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C
Show InChI InChI=1S/C25H20F3N5O2/c1-15-13-18(32-22(34)16-5-3-6-17(14-16)25(26,27)28)8-9-21(15)35-23-19(7-4-11-30-23)20-10-12-31-24(29-2)33-20/h3-14H,1-2H3,(H,32,34)(H,29,31,33)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of IGFR1 by HTRF assay


J Med Chem 53: 6368-77 (2010)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM50326198
PNG
(CHEMBL1242977 | N-(3-Methyl-4-(3-(2-(methylamino)p...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C
Show InChI InChI=1S/C25H20F3N5O2/c1-15-13-18(32-22(34)16-5-3-6-17(14-16)25(26,27)28)8-9-21(15)35-23-19(7-4-11-30-23)20-10-12-31-24(29-2)33-20/h3-14H,1-2H3,(H,32,34)(H,29,31,33)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PLK1 by HTRF assay


J Med Chem 53: 6368-77 (2010)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50326208
PNG
(4-(4-Fluorophenyl)-N-(4-(3-(2-(methylamino)pyrimid...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nnc(-c3ccc(F)cc3)c3ccccc23)cc1
Show InChI InChI=1S/C30H22FN7O/c1-32-30-34-18-16-26(36-30)25-7-4-17-33-29(25)39-22-14-12-21(13-15-22)35-28-24-6-3-2-5-23(24)27(37-38-28)19-8-10-20(31)11-9-19/h2-18H,1H3,(H,35,38)(H,32,34,36)
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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 PKBalpha by HTRF assay


J Med Chem 53: 6368-77 (2010)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (human))
BDBM50326208
PNG
(4-(4-Fluorophenyl)-N-(4-(3-(2-(methylamino)pyrimid...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nnc(-c3ccc(F)cc3)c3ccccc23)cc1
Show InChI InChI=1S/C30H22FN7O/c1-32-30-34-18-16-26(36-30)25-7-4-17-33-29(25)39-22-14-12-21(13-15-22)35-28-24-6-3-2-5-23(24)27(37-38-28)19-8-10-20(31)11-9-19/h2-18H,1H3,(H,35,38)(H,32,34,36)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Zap70 by HTRF assay


J Med Chem 53: 6368-77 (2010)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50326208
PNG
(4-(4-Fluorophenyl)-N-(4-(3-(2-(methylamino)pyrimid...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nnc(-c3ccc(F)cc3)c3ccccc23)cc1
Show InChI InChI=1S/C30H22FN7O/c1-32-30-34-18-16-26(36-30)25-7-4-17-33-29(25)39-22-14-12-21(13-15-22)35-28-24-6-3-2-5-23(24)27(37-38-28)19-8-10-20(31)11-9-19/h2-18H,1H3,(H,35,38)(H,32,34,36)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Jak2 by HTRF assay


J Med Chem 53: 6368-77 (2010)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (human))
BDBM50326208
PNG
(4-(4-Fluorophenyl)-N-(4-(3-(2-(methylamino)pyrimid...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nnc(-c3ccc(F)cc3)c3ccccc23)cc1
Show InChI InChI=1S/C30H22FN7O/c1-32-30-34-18-16-26(36-30)25-7-4-17-33-29(25)39-22-14-12-21(13-15-22)35-28-24-6-3-2-5-23(24)27(37-38-28)19-8-10-20(31)11-9-19/h2-18H,1H3,(H,35,38)(H,32,34,36)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of p70s6k by HTRF assay


J Med Chem 53: 6368-77 (2010)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50326208
PNG
(4-(4-Fluorophenyl)-N-(4-(3-(2-(methylamino)pyrimid...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nnc(-c3ccc(F)cc3)c3ccccc23)cc1
Show InChI InChI=1S/C30H22FN7O/c1-32-30-34-18-16-26(36-30)25-7-4-17-33-29(25)39-22-14-12-21(13-15-22)35-28-24-6-3-2-5-23(24)27(37-38-28)19-8-10-20(31)11-9-19/h2-18H,1H3,(H,35,38)(H,32,34,36)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK5 by HTRF assay


J Med Chem 53: 6368-77 (2010)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50326208
PNG
(4-(4-Fluorophenyl)-N-(4-(3-(2-(methylamino)pyrimid...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nnc(-c3ccc(F)cc3)c3ccccc23)cc1
Show InChI InChI=1S/C30H22FN7O/c1-32-30-34-18-16-26(36-30)25-7-4-17-33-29(25)39-22-14-12-21(13-15-22)35-28-24-6-3-2-5-23(24)27(37-38-28)19-8-10-20(31)11-9-19/h2-18H,1H3,(H,35,38)(H,32,34,36)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of JNK2 by HTRF assay


J Med Chem 53: 6368-77 (2010)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 5


(Homo sapiens (human))
BDBM50326208
PNG
(4-(4-Fluorophenyl)-N-(4-(3-(2-(methylamino)pyrimid...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nnc(-c3ccc(F)cc3)c3ccccc23)cc1
Show InChI InChI=1S/C30H22FN7O/c1-32-30-34-18-16-26(36-30)25-7-4-17-33-29(25)39-22-14-12-21(13-15-22)35-28-24-6-3-2-5-23(24)27(37-38-28)19-8-10-20(31)11-9-19/h2-18H,1H3,(H,35,38)(H,32,34,36)
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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 MSK1 by HTRF assay


J Med Chem 53: 6368-77 (2010)

More data for this
Ligand-Target Pair
JAK3/JAK1


(Homo sapiens (Human))
BDBM50326208
PNG
(4-(4-Fluorophenyl)-N-(4-(3-(2-(methylamino)pyrimid...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nnc(-c3ccc(F)cc3)c3ccccc23)cc1
Show InChI InChI=1S/C30H22FN7O/c1-32-30-34-18-16-26(36-30)25-7-4-17-33-29(25)39-22-14-12-21(13-15-22)35-28-24-6-3-2-5-23(24)27(37-38-28)19-8-10-20(31)11-9-19/h2-18H,1H3,(H,35,38)(H,32,34,36)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Jak3 by HTRF assay


J Med Chem 53: 6368-77 (2010)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM50326208
PNG
(4-(4-Fluorophenyl)-N-(4-(3-(2-(methylamino)pyrimid...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nnc(-c3ccc(F)cc3)c3ccccc23)cc1
Show InChI InChI=1S/C30H22FN7O/c1-32-30-34-18-16-26(36-30)25-7-4-17-33-29(25)39-22-14-12-21(13-15-22)35-28-24-6-3-2-5-23(24)27(37-38-28)19-8-10-20(31)11-9-19/h2-18H,1H3,(H,35,38)(H,32,34,36)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of BTK by HTRF assay


J Med Chem 53: 6368-77 (2010)

More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM50326208
PNG
(4-(4-Fluorophenyl)-N-(4-(3-(2-(methylamino)pyrimid...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nnc(-c3ccc(F)cc3)c3ccccc23)cc1
Show InChI InChI=1S/C30H22FN7O/c1-32-30-34-18-16-26(36-30)25-7-4-17-33-29(25)39-22-14-12-21(13-15-22)35-28-24-6-3-2-5-23(24)27(37-38-28)19-8-10-20(31)11-9-19/h2-18H,1H3,(H,35,38)(H,32,34,36)
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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 EphB4 by HTRF assay


J Med Chem 53: 6368-77 (2010)

More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50326199
PNG
(2-Chloro-N-(3-methyl-4-(3-(2-(methylamino)pyrimidi...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2ccccc2Cl)cc1C
Show InChI InChI=1S/C24H20ClN5O2/c1-15-14-16(29-22(31)17-6-3-4-8-19(17)25)9-10-21(15)32-23-18(7-5-12-27-23)20-11-13-28-24(26-2)30-20/h3-14H,1-2H3,(H,29,31)(H,26,28,30)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B by HTRF assay


J Med Chem 53: 6368-77 (2010)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM50326208
PNG
(4-(4-Fluorophenyl)-N-(4-(3-(2-(methylamino)pyrimid...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nnc(-c3ccc(F)cc3)c3ccccc23)cc1
Show InChI InChI=1S/C30H22FN7O/c1-32-30-34-18-16-26(36-30)25-7-4-17-33-29(25)39-22-14-12-21(13-15-22)35-28-24-6-3-2-5-23(24)27(37-38-28)19-8-10-20(31)11-9-19/h2-18H,1H3,(H,35,38)(H,32,34,36)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PLK1 by HTRF assay


J Med Chem 53: 6368-77 (2010)

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50326208
PNG
(4-(4-Fluorophenyl)-N-(4-(3-(2-(methylamino)pyrimid...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nnc(-c3ccc(F)cc3)c3ccccc23)cc1
Show InChI InChI=1S/C30H22FN7O/c1-32-30-34-18-16-26(36-30)25-7-4-17-33-29(25)39-22-14-12-21(13-15-22)35-28-24-6-3-2-5-23(24)27(37-38-28)19-8-10-20(31)11-9-19/h2-18H,1H3,(H,35,38)(H,32,34,36)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of IGFR1 by HTRF assay


J Med Chem 53: 6368-77 (2010)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50326208
PNG
(4-(4-Fluorophenyl)-N-(4-(3-(2-(methylamino)pyrimid...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nnc(-c3ccc(F)cc3)c3ccccc23)cc1
Show InChI InChI=1S/C30H22FN7O/c1-32-30-34-18-16-26(36-30)25-7-4-17-33-29(25)39-22-14-12-21(13-15-22)35-28-24-6-3-2-5-23(24)27(37-38-28)19-8-10-20(31)11-9-19/h2-18H,1H3,(H,35,38)(H,32,34,36)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of EGFR by HTRF assay


J Med Chem 53: 6368-77 (2010)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50326208
PNG
(4-(4-Fluorophenyl)-N-(4-(3-(2-(methylamino)pyrimid...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nnc(-c3ccc(F)cc3)c3ccccc23)cc1
Show InChI InChI=1S/C30H22FN7O/c1-32-30-34-18-16-26(36-30)25-7-4-17-33-29(25)39-22-14-12-21(13-15-22)35-28-24-6-3-2-5-23(24)27(37-38-28)19-8-10-20(31)11-9-19/h2-18H,1H3,(H,35,38)(H,32,34,36)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PKBbeta by HTRF assay


J Med Chem 53: 6368-77 (2010)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50326208
PNG
(4-(4-Fluorophenyl)-N-(4-(3-(2-(methylamino)pyrimid...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nnc(-c3ccc(F)cc3)c3ccccc23)cc1
Show InChI InChI=1S/C30H22FN7O/c1-32-30-34-18-16-26(36-30)25-7-4-17-33-29(25)39-22-14-12-21(13-15-22)35-28-24-6-3-2-5-23(24)27(37-38-28)19-8-10-20(31)11-9-19/h2-18H,1H3,(H,35,38)(H,32,34,36)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Erk1 by HTRF assay


J Med Chem 53: 6368-77 (2010)

More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50326206
PNG
(CHEMBL1243200 | N-(4-(3-(2-(Methylamino)pyrimidin-...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2ccccc2Nc2ccccc2)cc1
Show InChI InChI=1S/C29H24N6O2/c1-30-29-32-19-17-26(35-29)24-11-7-18-31-28(24)37-22-15-13-21(14-16-22)34-27(36)23-10-5-6-12-25(23)33-20-8-3-2-4-9-20/h2-19,33H,1H3,(H,34,36)(H,30,32,35)
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n/an/an/an/a 15n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora B in human HeLa cells assessed as increase of >= 4N DNA level after 24 hrs by Hoechst staining


J Med Chem 53: 6368-77 (2010)

More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50326201
PNG
(4-Chloro-N-(3-methyl-4-(3-(2-(methylamino)pyrimidi...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2ccc(Cl)cc2)cc1C
Show InChI InChI=1S/C24H20ClN5O2/c1-15-14-18(29-22(31)16-5-7-17(25)8-6-16)9-10-21(15)32-23-19(4-3-12-27-23)20-11-13-28-24(26-2)30-20/h3-14H,1-2H3,(H,29,31)(H,26,28,30)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora B in human HeLa cells assessed as increase of >= 4N DNA level after 24 hrs by Hoechst staining


J Med Chem 53: 6368-77 (2010)

More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50326198
PNG
(CHEMBL1242977 | N-(3-Methyl-4-(3-(2-(methylamino)p...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C
Show InChI InChI=1S/C25H20F3N5O2/c1-15-13-18(32-22(34)16-5-3-6-17(14-16)25(26,27)28)8-9-21(15)35-23-19(7-4-11-30-23)20-10-12-31-24(29-2)33-20/h3-14H,1-2H3,(H,32,34)(H,29,31,33)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora B in human HeLa cells assessed as increase of >= 4N DNA level after 24 hrs by Hoechst staining


J Med Chem 53: 6368-77 (2010)

More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50326207
PNG
(CHEMBL1243294 | N-(4-(3-(2-(Methylamino)pyrimidin-...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nnc(-c3ccccc3)c3ccccc23)cc1
Show InChI InChI=1S/C30H23N7O/c1-31-30-33-19-17-26(35-30)25-12-7-18-32-29(25)38-22-15-13-21(14-16-22)34-28-24-11-6-5-10-23(24)27(36-37-28)20-8-3-2-4-9-20/h2-19H,1H3,(H,34,37)(H,31,33,35)
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n/an/an/an/a 15n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora B in human HeLa cells assessed as increase of >= 4N DNA level after 24 hrs by Hoechst staining


J Med Chem 53: 6368-77 (2010)

More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50326210
PNG
(2-(4-Fluorophenylamino)-N-(4-(3-(2-(methylamino)py...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2ccccc2Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C29H23FN6O2/c1-31-29-33-18-16-26(36-29)24-6-4-17-32-28(24)38-22-14-12-21(13-15-22)35-27(37)23-5-2-3-7-25(23)34-20-10-8-19(30)9-11-20/h2-18,34H,1H3,(H,35,37)(H,31,33,36)
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n/an/an/an/a 28n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora B in human HeLa cells assessed as increase of >= 4N DNA level after 24 hrs by Hoechst staining


J Med Chem 53: 6368-77 (2010)

More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50326203
PNG
(CHEMBL1243073 | N-(3-Methyl-4-(3-(2-(methylamino)p...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2cccc(Oc3ccccc3)c2)cc1C
Show InChI InChI=1S/C30H25N5O3/c1-20-18-22(34-28(36)21-8-6-11-24(19-21)37-23-9-4-3-5-10-23)13-14-27(20)38-29-25(12-7-16-32-29)26-15-17-33-30(31-2)35-26/h3-19H,1-2H3,(H,34,36)(H,31,33,35)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora B in human HeLa cells assessed as increase of >= 4N DNA level after 24 hrs by Hoechst staining


J Med Chem 53: 6368-77 (2010)

More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50326211
PNG
(5-Fluoro-N-(4-(3-(2-(methylamino)pyrimidin-4-yl)py...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2cc(F)ccc2Nc2ccccc2)cc1
Show InChI InChI=1S/C29H23FN6O2/c1-31-29-33-17-15-26(36-29)23-8-5-16-32-28(23)38-22-12-10-21(11-13-22)35-27(37)24-18-19(30)9-14-25(24)34-20-6-3-2-4-7-20/h2-18,34H,1H3,(H,35,37)(H,31,33,36)
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n/an/an/an/a 20n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora B in human HeLa cells assessed as increase of >= 4N DNA level after 24 hrs by Hoechst staining


J Med Chem 53: 6368-77 (2010)

More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50326208
PNG
(4-(4-Fluorophenyl)-N-(4-(3-(2-(methylamino)pyrimid...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nnc(-c3ccc(F)cc3)c3ccccc23)cc1
Show InChI InChI=1S/C30H22FN7O/c1-32-30-34-18-16-26(36-30)25-7-4-17-33-29(25)39-22-14-12-21(13-15-22)35-28-24-6-3-2-5-23(24)27(37-38-28)19-8-10-20(31)11-9-19/h2-18H,1H3,(H,35,38)(H,32,34,36)
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n/an/an/an/a 24n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora B in human HeLa cells assessed as increase of >= 4N DNA level after 24 hrs by Hoechst staining


J Med Chem 53: 6368-77 (2010)

More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50326200
PNG
(3-Chloro-N-(3-methyl-4-(3-(2-(methylamino)pyrimidi...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2cccc(Cl)c2)cc1C
Show InChI InChI=1S/C24H20ClN5O2/c1-15-13-18(29-22(31)16-5-3-6-17(25)14-16)8-9-21(15)32-23-19(7-4-11-27-23)20-10-12-28-24(26-2)30-20/h3-14H,1-2H3,(H,29,31)(H,26,28,30)
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n/an/an/an/a>1.20E+3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora B in human HeLa cells assessed as increase of >= 4N DNA level after 24 hrs by Hoechst staining


J Med Chem 53: 6368-77 (2010)

More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50326205
PNG
(CHEMBL1243167 | N-(2-Methyl-4-(3-(2-(methylamino)p...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2ccccc2Nc2ccccc2)c(C)c1
Show InChI InChI=1S/C30H26N6O2/c1-20-19-22(38-29-24(12-8-17-32-29)27-16-18-33-30(31-2)36-27)14-15-25(20)35-28(37)23-11-6-7-13-26(23)34-21-9-4-3-5-10-21/h3-19,34H,1-2H3,(H,35,37)(H,31,33,36)
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n/an/an/an/a 1.45E+3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora B in human HeLa cells assessed as increase of >= 4N DNA level after 24 hrs by Hoechst staining


J Med Chem 53: 6368-77 (2010)

More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50326204
PNG
(CHEMBL1243137 | N-(3-Methyl-4-(3-(2-(methylamino)p...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2ccccc2Nc2ccccc2)cc1C
Show InChI InChI=1S/C30H26N6O2/c1-20-19-22(35-28(37)23-11-6-7-13-25(23)34-21-9-4-3-5-10-21)14-15-27(20)38-29-24(12-8-17-32-29)26-16-18-33-30(31-2)36-26/h3-19,34H,1-2H3,(H,35,37)(H,31,33,36)
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n/an/an/an/a 89n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora B in human HeLa cells assessed as increase of >= 4N DNA level after 24 hrs by Hoechst staining


J Med Chem 53: 6368-77 (2010)

More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50326202
PNG
(CHEMBL1243042 | N-(3-Methyl-4-(3-(2-(methylamino)p...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2ccccc2Oc2ccccc2)cc1C
Show InChI InChI=1S/C30H25N5O3/c1-20-19-21(34-28(36)24-11-6-7-13-27(24)37-22-9-4-3-5-10-22)14-15-26(20)38-29-23(12-8-17-32-29)25-16-18-33-30(31-2)35-25/h3-19H,1-2H3,(H,34,36)(H,31,33,35)
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n/an/an/an/a>1.20E+3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora B in human HeLa cells assessed as increase of >= 4N DNA level after 24 hrs by Hoechst staining


J Med Chem 53: 6368-77 (2010)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%