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PubMed code 20833055

Compile data set for download or QSAR
Found 44 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))
BDBM50327065
PNG
(1-(3-Methylphenyl)-3-{4-[(5-methyl-5H-pyrrolo[3,2-...)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(Oc3ncnc4ccn(C)c34)cc2)c1
Show InChI InChI=1S/C21H19N5O2/c1-14-4-3-5-16(12-14)25-21(27)24-15-6-8-17(9-7-15)28-20-19-18(22-13-23-20)10-11-26(19)2/h3-13H,1-2H3,(H2,24,25,27)
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n/an/a 2.70n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2


Bioorg Med Chem 18: 7260-73 (2010)


Article DOI: 10.1016/j.bmc.2010.08.017
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))
BDBM50327070
PNG
(1-(2-chloro-4-(5-methyl-5H-pyrrolo[3,2-d]pyrimidin...)
Show SMILES Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)c(Cl)c3)c12
Show InChI InChI=1S/C21H15ClF3N5O2/c1-30-8-7-17-18(30)19(27-11-26-17)32-14-5-6-16(15(22)10-14)29-20(31)28-13-4-2-3-12(9-13)21(23,24)25/h2-11H,1H3,(H2,28,29,31)
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n/an/a 3.70n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2


Bioorg Med Chem 18: 7260-73 (2010)


Article DOI: 10.1016/j.bmc.2010.08.017
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))
BDBM50327060
PNG
(1-(3-Chlorophenyl)-3-{4-[(5-methyl-5H-pyrrolo[3,2-...)
Show SMILES Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c12
Show InChI InChI=1S/C20H16ClN5O2/c1-26-10-9-17-18(26)19(23-12-22-17)28-16-7-5-14(6-8-16)24-20(27)25-15-4-2-3-13(21)11-15/h2-12H,1H3,(H2,24,25,27)
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n/an/a 4.10n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2


Bioorg Med Chem 18: 7260-73 (2010)


Article DOI: 10.1016/j.bmc.2010.08.017
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))
BDBM50327063
PNG
(1-(3-Bromophenyl)-3-{4-[(5-methyl-5H-pyrrolo[3,2-d...)
Show SMILES Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cccc(Br)c4)cc3)c12
Show InChI InChI=1S/C20H16BrN5O2/c1-26-10-9-17-18(26)19(23-12-22-17)28-16-7-5-14(6-8-16)24-20(27)25-15-4-2-3-13(21)11-15/h2-12H,1H3,(H2,24,25,27)
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n/an/a 4.40n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2


Bioorg Med Chem 18: 7260-73 (2010)


Article DOI: 10.1016/j.bmc.2010.08.017
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))
BDBM50327062
PNG
(1-{4-[(5-Methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)ox...)
Show SMILES Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C21H16F3N5O2/c1-29-10-9-17-18(29)19(26-12-25-17)31-16-7-5-14(6-8-16)27-20(30)28-15-4-2-3-13(11-15)21(22,23)24/h2-12H,1H3,(H2,27,28,30)
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n/an/a 5.30n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2


Bioorg Med Chem 18: 7260-73 (2010)


Article DOI: 10.1016/j.bmc.2010.08.017
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))
BDBM50327046
PNG
(1-(2-fluoro-4-(5-methyl-5H-pyrrolo[3,2-d]pyrimidin...)
Show SMILES Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)c(F)c3)c12
Show InChI InChI=1S/C21H15F4N5O2/c1-30-8-7-17-18(30)19(27-11-26-17)32-14-5-6-16(15(22)10-14)29-20(31)28-13-4-2-3-12(9-13)21(23,24)25/h2-11H,1H3,(H2,28,29,31)
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n/an/a 6.20n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2


Bioorg Med Chem 18: 7260-73 (2010)


Article DOI: 10.1016/j.bmc.2010.08.017
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))
BDBM50327069
PNG
(1-[4-(5,6-Dihydro-4H-pyrrolo[3,2,1-de]pteridin-4-y...)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2ccc(cc2)N2CCn3ccc4ncnc2c34)c1
Show InChI InChI=1S/C22H17F3N6O/c23-22(24,25)14-2-1-3-16(12-14)29-21(32)28-15-4-6-17(7-5-15)31-11-10-30-9-8-18-19(30)20(31)27-13-26-18/h1-9,12-13H,10-11H2,(H2,28,29,32)
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n/an/a 7.10n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2


Bioorg Med Chem 18: 7260-73 (2010)


Article DOI: 10.1016/j.bmc.2010.08.017
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))
BDBM50327072
PNG
(1-{2-Methoxy-4-[(5-methyl-5H-pyrrolo[3,2-d]pyrimid...)
Show SMILES COc1cc(Oc2ncnc3ccn(C)c23)ccc1NC(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C22H18F3N5O3/c1-30-9-8-17-19(30)20(27-12-26-17)33-15-6-7-16(18(11-15)32-2)29-21(31)28-14-5-3-4-13(10-14)22(23,24)25/h3-12H,1-2H3,(H2,28,29,31)
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n/an/a 14n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2


Bioorg Med Chem 18: 7260-73 (2010)


Article DOI: 10.1016/j.bmc.2010.08.017
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50327046
PNG
(1-(2-fluoro-4-(5-methyl-5H-pyrrolo[3,2-d]pyrimidin...)
Show SMILES Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)c(F)c3)c12
Show InChI InChI=1S/C21H15F4N5O2/c1-30-8-7-17-18(30)19(27-11-26-17)32-14-5-6-16(15(22)10-14)29-20(31)28-13-4-2-3-12(9-13)21(23,24)25/h2-11H,1H3,(H2,28,29,31)
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n/an/a 15n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of VEGFR1


Bioorg Med Chem 18: 7260-73 (2010)


Article DOI: 10.1016/j.bmc.2010.08.017
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))
BDBM50327064
PNG
(1-(3-Fluorophenyl)-3-{4-[(5-methyl-5H-pyrrolo[3,2-...)
Show SMILES Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12
Show InChI InChI=1S/C20H16FN5O2/c1-26-10-9-17-18(26)19(23-12-22-17)28-16-7-5-14(6-8-16)24-20(27)25-15-4-2-3-13(21)11-15/h2-12H,1H3,(H2,24,25,27)
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n/an/a 19n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2


Bioorg Med Chem 18: 7260-73 (2010)


Article DOI: 10.1016/j.bmc.2010.08.017
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))
BDBM50327046
PNG
(1-(2-fluoro-4-(5-methyl-5H-pyrrolo[3,2-d]pyrimidin...)
Show SMILES Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)c(F)c3)c12
Show InChI InChI=1S/C21H15F4N5O2/c1-30-8-7-17-18(30)19(27-11-26-17)32-14-5-6-16(15(22)10-14)29-20(31)28-13-4-2-3-12(9-13)21(23,24)25/h2-11H,1H3,(H2,28,29,31)
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n/an/a 20n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Tie2


Bioorg Med Chem 18: 7260-73 (2010)


Article DOI: 10.1016/j.bmc.2010.08.017
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))
BDBM50327071
PNG
(1-{3-Chloro-4-[(5-methyl-5H-pyrrolo[3,2-d]pyrimidi...)
Show SMILES Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3Cl)c12
Show InChI InChI=1S/C21H15ClF3N5O2/c1-30-8-7-16-18(30)19(27-11-26-16)32-17-6-5-14(10-15(17)22)29-20(31)28-13-4-2-3-12(9-13)21(23,24)25/h2-11H,1H3,(H2,28,29,31)
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n/an/a 30n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2


Bioorg Med Chem 18: 7260-73 (2010)


Article DOI: 10.1016/j.bmc.2010.08.017
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))
BDBM50327061
PNG
(1-(4-Chlorophenyl)-3-{4-[(5-methyl-5H-pyrrolo[3,2-...)
Show SMILES Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4ccc(Cl)cc4)cc3)c12
Show InChI InChI=1S/C20H16ClN5O2/c1-26-11-10-17-18(26)19(23-12-22-17)28-16-8-6-15(7-9-16)25-20(27)24-14-4-2-13(21)3-5-14/h2-12H,1H3,(H2,24,25,27)
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n/an/a 32n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2


Bioorg Med Chem 18: 7260-73 (2010)


Article DOI: 10.1016/j.bmc.2010.08.017
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))
BDBM50327047
PNG
(1-{4-[(5-Methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)ox...)
Show SMILES Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4ccccc4)cc3)c12
Show InChI InChI=1S/C20H17N5O2/c1-25-12-11-17-18(25)19(22-13-21-17)27-16-9-7-15(8-10-16)24-20(26)23-14-5-3-2-4-6-14/h2-13H,1H3,(H2,23,24,26)
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n/an/a 33n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2


Bioorg Med Chem 18: 7260-73 (2010)


Article DOI: 10.1016/j.bmc.2010.08.017
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50327046
PNG
(1-(2-fluoro-4-(5-methyl-5H-pyrrolo[3,2-d]pyrimidin...)
Show SMILES Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)c(F)c3)c12
Show InChI InChI=1S/C21H15F4N5O2/c1-30-8-7-17-18(30)19(27-11-26-17)32-14-5-6-16(15(22)10-14)29-20(31)28-13-4-2-3-12(9-13)21(23,24)25/h2-11H,1H3,(H2,28,29,31)
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n/an/a 35n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha


Bioorg Med Chem 18: 7260-73 (2010)


Article DOI: 10.1016/j.bmc.2010.08.017
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50327046
PNG
(1-(2-fluoro-4-(5-methyl-5H-pyrrolo[3,2-d]pyrimidin...)
Show SMILES Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)c(F)c3)c12
Show InChI InChI=1S/C21H15F4N5O2/c1-30-8-7-17-18(30)19(27-11-26-17)32-14-5-6-16(15(22)10-14)29-20(31)28-13-4-2-3-12(9-13)21(23,24)25/h2-11H,1H3,(H2,28,29,31)
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n/an/a 96n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta


Bioorg Med Chem 18: 7260-73 (2010)


Article DOI: 10.1016/j.bmc.2010.08.017
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))
BDBM50327066
PNG
(1-{4-[(5-Methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)su...)
Show SMILES Cn1ccc2ncnc(Sc3ccc(NC(=O)Nc4ccccc4)cc3)c12
Show InChI InChI=1S/C20H17N5OS/c1-25-12-11-17-18(25)19(22-13-21-17)27-16-9-7-15(8-10-16)24-20(26)23-14-5-3-2-4-6-14/h2-13H,1H3,(H2,23,24,26)
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n/an/a 110n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2


Bioorg Med Chem 18: 7260-73 (2010)


Article DOI: 10.1016/j.bmc.2010.08.017
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50327046
PNG
(1-(2-fluoro-4-(5-methyl-5H-pyrrolo[3,2-d]pyrimidin...)
Show SMILES Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)c(F)c3)c12
Show InChI InChI=1S/C21H15F4N5O2/c1-30-8-7-17-18(30)19(27-11-26-17)32-14-5-6-16(15(22)10-14)29-20(31)28-13-4-2-3-12(9-13)21(23,24)25/h2-11H,1H3,(H2,28,29,31)
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n/an/a 170n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of c-Kit


Bioorg Med Chem 18: 7260-73 (2010)


Article DOI: 10.1016/j.bmc.2010.08.017
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))
BDBM50327059
PNG
(1-(2-Chlorophenyl)-3-{4-[(5-methyl-5H-pyrrolo[3,2-...)
Show SMILES Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4ccccc4Cl)cc3)c12
Show InChI InChI=1S/C20H16ClN5O2/c1-26-11-10-17-18(26)19(23-12-22-17)28-14-8-6-13(7-9-14)24-20(27)25-16-5-3-2-4-15(16)21/h2-12H,1H3,(H2,24,25,27)
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n/an/a 340n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2


Bioorg Med Chem 18: 7260-73 (2010)


Article DOI: 10.1016/j.bmc.2010.08.017
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))
BDBM50327050
PNG
(3-[(5-Methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]-...)
Show SMILES Cn1ccc2ncnc(Oc3cccc(c3)C(=O)Nc3ccccc3)c12
Show InChI InChI=1S/C20H16N4O2/c1-24-11-10-17-18(24)20(22-13-21-17)26-16-9-5-6-14(12-16)19(25)23-15-7-3-2-4-8-15/h2-13H,1H3,(H,23,25)
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n/an/a 870n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2


Bioorg Med Chem 18: 7260-73 (2010)


Article DOI: 10.1016/j.bmc.2010.08.017
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50327046
PNG
(1-(2-fluoro-4-(5-methyl-5H-pyrrolo[3,2-d]pyrimidin...)
Show SMILES Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)c(F)c3)c12
Show InChI InChI=1S/C21H15F4N5O2/c1-30-8-7-17-18(30)19(27-11-26-17)32-14-5-6-16(15(22)10-14)29-20(31)28-13-4-2-3-12(9-13)21(23,24)25/h2-11H,1H3,(H2,28,29,31)
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n/an/a 900n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of B-Raf


Bioorg Med Chem 18: 7260-73 (2010)


Article DOI: 10.1016/j.bmc.2010.08.017
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))
BDBM50327049
PNG
(CHEMBL1255010 | N-{3-[(5-Methyl-5H-pyrrolo[3,2-d]p...)
Show SMILES Cn1ccc2ncnc(Oc3cccc(NC(=O)c4ccccc4)c3)c12
Show InChI InChI=1S/C20H16N4O2/c1-24-11-10-17-18(24)20(22-13-21-17)26-16-9-5-8-15(12-16)23-19(25)14-6-3-2-4-7-14/h2-13H,1H3,(H,23,25)
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n/an/a 940n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2


Bioorg Med Chem 18: 7260-73 (2010)


Article DOI: 10.1016/j.bmc.2010.08.017
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50327046
PNG
(1-(2-fluoro-4-(5-methyl-5H-pyrrolo[3,2-d]pyrimidin...)
Show SMILES Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)c(F)c3)c12
Show InChI InChI=1S/C21H15F4N5O2/c1-30-8-7-17-18(30)19(27-11-26-17)32-14-5-6-16(15(22)10-14)29-20(31)28-13-4-2-3-12(9-13)21(23,24)25/h2-11H,1H3,(H2,28,29,31)
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n/an/a 1.05E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of aurora A


Bioorg Med Chem 18: 7260-73 (2010)


Article DOI: 10.1016/j.bmc.2010.08.017
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))
BDBM50327067
PNG
(1-{4-[(5-Methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)am...)
Show SMILES Cn1ccc2ncnc(Nc3ccc(NC(=O)Nc4ccccc4)cc3)c12
Show InChI InChI=1S/C20H18N6O/c1-26-12-11-17-18(26)19(22-13-21-17)23-15-7-9-16(10-8-15)25-20(27)24-14-5-3-2-4-6-14/h2-13H,1H3,(H,21,22,23)(H2,24,25,27)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2


Bioorg Med Chem 18: 7260-73 (2010)


Article DOI: 10.1016/j.bmc.2010.08.017
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))
BDBM50327048
PNG
(1-{3-[(5-Methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)ox...)
Show SMILES Cn1ccc2ncnc(Oc3cccc(NC(=O)Nc4ccccc4)c3)c12
Show InChI InChI=1S/C20H17N5O2/c1-25-11-10-17-18(25)19(22-13-21-17)27-16-9-5-8-15(12-16)24-20(26)23-14-6-3-2-4-7-14/h2-13H,1H3,(H2,23,24,26)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2


Bioorg Med Chem 18: 7260-73 (2010)


Article DOI: 10.1016/j.bmc.2010.08.017
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50327046
PNG
(1-(2-fluoro-4-(5-methyl-5H-pyrrolo[3,2-d]pyrimidin...)
Show SMILES Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)c(F)c3)c12
Show InChI InChI=1S/C21H15F4N5O2/c1-30-8-7-17-18(30)19(27-11-26-17)32-14-5-6-16(15(22)10-14)29-20(31)28-13-4-2-3-12(9-13)21(23,24)25/h2-11H,1H3,(H2,28,29,31)
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n/an/a 2.60E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of FAK


Bioorg Med Chem 18: 7260-73 (2010)


Article DOI: 10.1016/j.bmc.2010.08.017
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))
BDBM50327054
PNG
(2-{4-[(5-Methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)ox...)
Show SMILES Cn1ccc2ncnc(Oc3ccc(CC(=O)Nc4ccccc4)cc3)c12
Show InChI InChI=1S/C21H18N4O2/c1-25-12-11-18-20(25)21(23-14-22-18)27-17-9-7-15(8-10-17)13-19(26)24-16-5-3-2-4-6-16/h2-12,14H,13H2,1H3,(H,24,26)
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n/an/a 3.30E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2


Bioorg Med Chem 18: 7260-73 (2010)


Article DOI: 10.1016/j.bmc.2010.08.017
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))
BDBM50327058
PNG
(1-{4-[(5-Methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)ox...)
Show SMILES CCCNC(=O)Nc1ccc(Oc2ncnc3ccn(C)c23)cc1
Show InChI InChI=1S/C17H19N5O2/c1-3-9-18-17(23)21-12-4-6-13(7-5-12)24-16-15-14(19-11-20-16)8-10-22(15)2/h4-8,10-11H,3,9H2,1-2H3,(H2,18,21,23)
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n/an/a 3.90E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2


Bioorg Med Chem 18: 7260-73 (2010)


Article DOI: 10.1016/j.bmc.2010.08.017
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))
BDBM50327056
PNG
(CHEMBL1253915 | N-{4-[(5-Methyl-5H-pyrrolo[3,2-d]p...)
Show SMILES Cn1ccc2ncnc(Oc3ccc(Nc4nc5ccccc5[nH]4)cc3)c12
Show InChI InChI=1S/C20H16N6O/c1-26-11-10-17-18(26)19(22-12-21-17)27-14-8-6-13(7-9-14)23-20-24-15-4-2-3-5-16(15)25-20/h2-12H,1H3,(H2,23,24,25)
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n/an/a 4.20E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2


Bioorg Med Chem 18: 7260-73 (2010)


Article DOI: 10.1016/j.bmc.2010.08.017
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))
BDBM50327057
PNG
(1-Methyl-3-{4-[(5-methyl-5H-pyrrolo[3,2-d]pyrimidi...)
Show SMILES CNC(=O)Nc1ccc(Oc2ncnc3ccn(C)c23)cc1
Show InChI InChI=1S/C15H15N5O2/c1-16-15(21)19-10-3-5-11(6-4-10)22-14-13-12(17-9-18-14)7-8-20(13)2/h3-9H,1-2H3,(H2,16,19,21)
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n/an/a 6.30E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2


Bioorg Med Chem 18: 7260-73 (2010)


Article DOI: 10.1016/j.bmc.2010.08.017
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))
BDBM50327055
PNG
(1-{4-[(5-Methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)ox...)
Show SMILES Cn1ccc2ncnc(Oc3ccc(NC(=S)Nc4ccccc4)cc3)c12
Show InChI InChI=1S/C20H17N5OS/c1-25-12-11-17-18(25)19(22-13-21-17)26-16-9-7-15(8-10-16)24-20(27)23-14-5-3-2-4-6-14/h2-13H,1H3,(H2,23,24,27)
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n/an/a 6.70E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2


Bioorg Med Chem 18: 7260-73 (2010)


Article DOI: 10.1016/j.bmc.2010.08.017
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))
BDBM50327051
PNG
(CHEMBL1255093 | N-{4-[(5-Methyl-5H-pyrrolo[3,2-d]p...)
Show SMILES Cn1ccc2ncnc(Oc3ccc(NC(=O)c4ccccc4)cc3)c12
Show InChI InChI=1S/C20H16N4O2/c1-24-12-11-17-18(24)20(22-13-21-17)26-16-9-7-15(8-10-16)23-19(25)14-5-3-2-4-6-14/h2-13H,1H3,(H,23,25)
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n/an/a 9.40E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2


Bioorg Med Chem 18: 7260-73 (2010)


Article DOI: 10.1016/j.bmc.2010.08.017
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))
BDBM50327053
PNG
(CHEMBL1253833 | N-{4-[(5-Methyl-5H-pyrrolo[3,2-d]p...)
Show SMILES Cn1ccc2ncnc(Oc3ccc(NC(=O)Cc4ccccc4)cc3)c12
Show InChI InChI=1S/C21H18N4O2/c1-25-12-11-18-20(25)21(23-14-22-18)27-17-9-7-16(8-10-17)24-19(26)13-15-5-3-2-4-6-15/h2-12,14H,13H2,1H3,(H,24,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2


Bioorg Med Chem 18: 7260-73 (2010)


Article DOI: 10.1016/j.bmc.2010.08.017
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50327046
PNG
(1-(2-fluoro-4-(5-methyl-5H-pyrrolo[3,2-d]pyrimidin...)
Show SMILES Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)c(F)c3)c12
Show InChI InChI=1S/C21H15F4N5O2/c1-30-8-7-17-18(30)19(27-11-26-17)32-14-5-6-16(15(22)10-14)29-20(31)28-13-4-2-3-12(9-13)21(23,24)25/h2-11H,1H3,(H2,28,29,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem 18: 7260-73 (2010)


Article DOI: 10.1016/j.bmc.2010.08.017
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50327046
PNG
(1-(2-fluoro-4-(5-methyl-5H-pyrrolo[3,2-d]pyrimidin...)
Show SMILES Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)c(F)c3)c12
Show InChI InChI=1S/C21H15F4N5O2/c1-30-8-7-17-18(30)19(27-11-26-17)32-14-5-6-16(15(22)10-14)29-20(31)28-13-4-2-3-12(9-13)21(23,24)25/h2-11H,1H3,(H2,28,29,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of FGFR1


Bioorg Med Chem 18: 7260-73 (2010)


Article DOI: 10.1016/j.bmc.2010.08.017
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50327046
PNG
(1-(2-fluoro-4-(5-methyl-5H-pyrrolo[3,2-d]pyrimidin...)
Show SMILES Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)c(F)c3)c12
Show InChI InChI=1S/C21H15F4N5O2/c1-30-8-7-17-18(30)19(27-11-26-17)32-14-5-6-16(15(22)10-14)29-20(31)28-13-4-2-3-12(9-13)21(23,24)25/h2-11H,1H3,(H2,28,29,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of ERK1


Bioorg Med Chem 18: 7260-73 (2010)


Article DOI: 10.1016/j.bmc.2010.08.017
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50327046
PNG
(1-(2-fluoro-4-(5-methyl-5H-pyrrolo[3,2-d]pyrimidin...)
Show SMILES Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)c(F)c3)c12
Show InChI InChI=1S/C21H15F4N5O2/c1-30-8-7-17-18(30)19(27-11-26-17)32-14-5-6-16(15(22)10-14)29-20(31)28-13-4-2-3-12(9-13)21(23,24)25/h2-11H,1H3,(H2,28,29,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem 18: 7260-73 (2010)


Article DOI: 10.1016/j.bmc.2010.08.017
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50327046
PNG
(1-(2-fluoro-4-(5-methyl-5H-pyrrolo[3,2-d]pyrimidin...)
Show SMILES Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)c(F)c3)c12
Show InChI InChI=1S/C21H15F4N5O2/c1-30-8-7-17-18(30)19(27-11-26-17)32-14-5-6-16(15(22)10-14)29-20(31)28-13-4-2-3-12(9-13)21(23,24)25/h2-11H,1H3,(H2,28,29,31)
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Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of HER2


Bioorg Med Chem 18: 7260-73 (2010)


Article DOI: 10.1016/j.bmc.2010.08.017
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50327046
PNG
(1-(2-fluoro-4-(5-methyl-5H-pyrrolo[3,2-d]pyrimidin...)
Show SMILES Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)c(F)c3)c12
Show InChI InChI=1S/C21H15F4N5O2/c1-30-8-7-17-18(30)19(27-11-26-17)32-14-5-6-16(15(22)10-14)29-20(31)28-13-4-2-3-12(9-13)21(23,24)25/h2-11H,1H3,(H2,28,29,31)
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Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of SRC


Bioorg Med Chem 18: 7260-73 (2010)


Article DOI: 10.1016/j.bmc.2010.08.017
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50327046
PNG
(1-(2-fluoro-4-(5-methyl-5H-pyrrolo[3,2-d]pyrimidin...)
Show SMILES Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)c(F)c3)c12
Show InChI InChI=1S/C21H15F4N5O2/c1-30-8-7-17-18(30)19(27-11-26-17)32-14-5-6-16(15(22)10-14)29-20(31)28-13-4-2-3-12(9-13)21(23,24)25/h2-11H,1H3,(H2,28,29,31)
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Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of IR


Bioorg Med Chem 18: 7260-73 (2010)


Article DOI: 10.1016/j.bmc.2010.08.017
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50327046
PNG
(1-(2-fluoro-4-(5-methyl-5H-pyrrolo[3,2-d]pyrimidin...)
Show SMILES Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)c(F)c3)c12
Show InChI InChI=1S/C21H15F4N5O2/c1-30-8-7-17-18(30)19(27-11-26-17)32-14-5-6-16(15(22)10-14)29-20(31)28-13-4-2-3-12(9-13)21(23,24)25/h2-11H,1H3,(H2,28,29,31)
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Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of PKCtheta


Bioorg Med Chem 18: 7260-73 (2010)


Article DOI: 10.1016/j.bmc.2010.08.017
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))
BDBM50327068
PNG
(1-{4-[Methyl(5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4...)
Show SMILES CN(c1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1)c1ncnc2ccn(C)c12
Show InChI InChI=1S/C22H19F3N6O/c1-30-11-10-18-19(30)20(27-13-26-18)31(2)17-8-6-15(7-9-17)28-21(32)29-16-5-3-4-14(12-16)22(23,24)25/h3-13H,1-2H3,(H2,28,29,32)
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Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2


Bioorg Med Chem 18: 7260-73 (2010)


Article DOI: 10.1016/j.bmc.2010.08.017
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))
BDBM50327052
PNG
(4-[(5-Methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]-...)
Show SMILES Cn1ccc2ncnc(Oc3ccc(cc3)C(=O)Nc3ccccc3)c12
Show InChI InChI=1S/C20H16N4O2/c1-24-12-11-17-18(24)20(22-13-21-17)26-16-9-7-14(8-10-16)19(25)23-15-5-3-2-4-6-15/h2-13H,1H3,(H,23,25)
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Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2


Bioorg Med Chem 18: 7260-73 (2010)


Article DOI: 10.1016/j.bmc.2010.08.017
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50327046
PNG
(1-(2-fluoro-4-(5-methyl-5H-pyrrolo[3,2-d]pyrimidin...)
Show SMILES Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)c(F)c3)c12
Show InChI InChI=1S/C21H15F4N5O2/c1-30-8-7-17-18(30)19(27-11-26-17)32-14-5-6-16(15(22)10-14)29-20(31)28-13-4-2-3-12(9-13)21(23,24)25/h2-11H,1H3,(H2,28,29,31)
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Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of IGF1R


Bioorg Med Chem 18: 7260-73 (2010)


Article DOI: 10.1016/j.bmc.2010.08.017
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%