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PubMed code 23123015

Compile data set for download or QSAR
Found 22 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))
BDBM50402339
PNG
(CHEMBL2206666)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)Nc1cccc(Oc2ccc3nccn3n2)c1
Show InChI InChI=1S/C20H13F3N4O2/c21-20(22,23)14-4-1-3-13(11-14)19(28)25-15-5-2-6-16(12-15)29-18-8-7-17-24-9-10-27(17)26-18/h1-12H,(H,25,28)
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n/an/a 7.10n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2 for 5 mins prior to addition of 10 uM ATP using poly-GluTyr by AlphaScreen analysis


Bioorg Med Chem 20: 7051-8 (2012)


Article DOI: 10.1016/j.bmc.2012.10.004
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50402339
PNG
(CHEMBL2206666)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)Nc1cccc(Oc2ccc3nccn3n2)c1
Show InChI InChI=1S/C20H13F3N4O2/c21-20(22,23)14-4-1-3-13(11-14)19(28)25-15-5-2-6-16(12-15)29-18-8-7-17-24-9-10-27(17)26-18/h1-12H,(H,25,28)
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n/an/a 8.40n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of VEGFR1 by AlphaScreen analysis


Bioorg Med Chem 20: 7051-8 (2012)


Article DOI: 10.1016/j.bmc.2012.10.004
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))
BDBM50402345
PNG
(CHEMBL2206663)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2cccc(Oc3ccc4nccn4n3)c2)c1
Show InChI InChI=1S/C20H14F3N5O2/c21-20(22,23)13-3-1-4-14(11-13)25-19(29)26-15-5-2-6-16(12-15)30-18-8-7-17-24-9-10-28(17)27-18/h1-12H,(H2,25,26,29)
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n/an/a 12n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2 for 5 mins prior to addition of 10 uM ATP using poly-GluTyr by AlphaScreen analysis


Bioorg Med Chem 20: 7051-8 (2012)


Article DOI: 10.1016/j.bmc.2012.10.004
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50402339
PNG
(CHEMBL2206666)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)Nc1cccc(Oc2ccc3nccn3n2)c1
Show InChI InChI=1S/C20H13F3N4O2/c21-20(22,23)14-4-1-3-13(11-14)19(28)25-15-5-2-6-16(12-15)29-18-8-7-17-24-9-10-27(17)26-18/h1-12H,(H,25,28)
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n/an/a 13n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha by AlphaScreen analysis


Bioorg Med Chem 20: 7051-8 (2012)


Article DOI: 10.1016/j.bmc.2012.10.004
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50402339
PNG
(CHEMBL2206666)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)Nc1cccc(Oc2ccc3nccn3n2)c1
Show InChI InChI=1S/C20H13F3N4O2/c21-20(22,23)14-4-1-3-13(11-14)19(28)25-15-5-2-6-16(12-15)29-18-8-7-17-24-9-10-27(17)26-18/h1-12H,(H,25,28)
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n/an/a 15n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta by AlphaScreen analysis


Bioorg Med Chem 20: 7051-8 (2012)


Article DOI: 10.1016/j.bmc.2012.10.004
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))
BDBM50402340
PNG
(CHEMBL2206668)
Show SMILES FC(F)(F)c1cccc(NC(=O)c2cccc(Oc3ccc4nccn4n3)c2)c1
Show InChI InChI=1S/C20H13F3N4O2/c21-20(22,23)14-4-2-5-15(12-14)25-19(28)13-3-1-6-16(11-13)29-18-8-7-17-24-9-10-27(17)26-18/h1-12H,(H,25,28)
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n/an/a 18n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2 for 5 mins prior to addition of 10 uM ATP using poly-GluTyr by AlphaScreen analysis


Bioorg Med Chem 20: 7051-8 (2012)


Article DOI: 10.1016/j.bmc.2012.10.004
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))
BDBM50402344
PNG
(CHEMBL2203321)
Show SMILES FC(F)(F)c1ccc(NC(=O)Nc2cccc(Oc3ccc4nccn4n3)c2)cc1
Show InChI InChI=1S/C20H14F3N5O2/c21-20(22,23)13-4-6-14(7-5-13)25-19(29)26-15-2-1-3-16(12-15)30-18-9-8-17-24-10-11-28(17)27-18/h1-12H,(H2,25,26,29)
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n/an/a 29n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2 for 5 mins prior to addition of 10 uM ATP using poly-GluTyr by AlphaScreen analysis


Bioorg Med Chem 20: 7051-8 (2012)


Article DOI: 10.1016/j.bmc.2012.10.004
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))
BDBM50402346
PNG
(CHEMBL2206662)
Show SMILES O=C(Nc1ccccc1)Nc1cccc(Oc2ccc3nccn3n2)c1
Show InChI InChI=1S/C19H15N5O2/c25-19(21-14-5-2-1-3-6-14)22-15-7-4-8-16(13-15)26-18-10-9-17-20-11-12-24(17)23-18/h1-13H,(H2,21,22,25)
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n/an/a 52n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2 for 5 mins prior to addition of 10 uM ATP using poly-GluTyr by AlphaScreen analysis


Bioorg Med Chem 20: 7051-8 (2012)


Article DOI: 10.1016/j.bmc.2012.10.004
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))
BDBM50402342
PNG
(CHEMBL2206665)
Show SMILES O=C(Nc1cccc(Oc2ccc3nccn3n2)c1)c1ccccc1
Show InChI InChI=1S/C19H14N4O2/c24-19(14-5-2-1-3-6-14)21-15-7-4-8-16(13-15)25-18-10-9-17-20-11-12-23(17)22-18/h1-13H,(H,21,24)
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n/an/a 80n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2 for 5 mins prior to addition of 10 uM ATP using poly-GluTyr by AlphaScreen analysis


Bioorg Med Chem 20: 7051-8 (2012)


Article DOI: 10.1016/j.bmc.2012.10.004
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50402339
PNG
(CHEMBL2206666)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)Nc1cccc(Oc2ccc3nccn3n2)c1
Show InChI InChI=1S/C20H13F3N4O2/c21-20(22,23)14-4-1-3-13(11-14)19(28)25-15-5-2-6-16(12-15)29-18-8-7-17-24-9-10-27(17)26-18/h1-12H,(H,25,28)
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n/an/a 120n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of c-Kit by AlphaScreen analysis


Bioorg Med Chem 20: 7051-8 (2012)


Article DOI: 10.1016/j.bmc.2012.10.004
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50402339
PNG
(CHEMBL2206666)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)Nc1cccc(Oc2ccc3nccn3n2)c1
Show InChI InChI=1S/C20H13F3N4O2/c21-20(22,23)14-4-1-3-13(11-14)19(28)25-15-5-2-6-16(12-15)29-18-8-7-17-24-9-10-27(17)26-18/h1-12H,(H,25,28)
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n/an/a 290n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of B-raf using [gamma-33P]ATP by AlphaScreen analysis


Bioorg Med Chem 20: 7051-8 (2012)


Article DOI: 10.1016/j.bmc.2012.10.004
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))
BDBM50402341
PNG
(CHEMBL2206667)
Show SMILES O=C(Nc1ccccc1)c1cccc(Oc2ccc3nccn3n2)c1
Show InChI InChI=1S/C19H14N4O2/c24-19(21-15-6-2-1-3-7-15)14-5-4-8-16(13-14)25-18-10-9-17-20-11-12-23(17)22-18/h1-13H,(H,21,24)
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n/an/a 640n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2 for 5 mins prior to addition of 10 uM ATP using poly-GluTyr by AlphaScreen analysis


Bioorg Med Chem 20: 7051-8 (2012)


Article DOI: 10.1016/j.bmc.2012.10.004
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM50402339
PNG
(CHEMBL2206666)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)Nc1cccc(Oc2ccc3nccn3n2)c1
Show InChI InChI=1S/C20H13F3N4O2/c21-20(22,23)14-4-1-3-13(11-14)19(28)25-15-5-2-6-16(12-15)29-18-8-7-17-24-9-10-27(17)26-18/h1-12H,(H,25,28)
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n/an/a 4.20E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of FGFR3 by AlphaScreen analysis


Bioorg Med Chem 20: 7051-8 (2012)


Article DOI: 10.1016/j.bmc.2012.10.004
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))
BDBM50402339
PNG
(CHEMBL2206666)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)Nc1cccc(Oc2ccc3nccn3n2)c1
Show InChI InChI=1S/C20H13F3N4O2/c21-20(22,23)14-4-1-3-13(11-14)19(28)25-15-5-2-6-16(12-15)29-18-8-7-17-24-9-10-27(17)26-18/h1-12H,(H,25,28)
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n/an/a 5.10E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of Tie-2 by AlphaScreen analysis


Bioorg Med Chem 20: 7051-8 (2012)


Article DOI: 10.1016/j.bmc.2012.10.004
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50402339
PNG
(CHEMBL2206666)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)Nc1cccc(Oc2ccc3nccn3n2)c1
Show InChI InChI=1S/C20H13F3N4O2/c21-20(22,23)14-4-1-3-13(11-14)19(28)25-15-5-2-6-16(12-15)29-18-8-7-17-24-9-10-27(17)26-18/h1-12H,(H,25,28)
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n/an/a 5.10E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 by AlphaScreen analysis


Bioorg Med Chem 20: 7051-8 (2012)


Article DOI: 10.1016/j.bmc.2012.10.004
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))
BDBM50402347
PNG
(CHEMBL2206661)
Show SMILES O=C(Nc1ccccc1)Nc1ccc(Oc2ccc3nccn3n2)cc1
Show InChI InChI=1S/C19H15N5O2/c25-19(21-14-4-2-1-3-5-14)22-15-6-8-16(9-7-15)26-18-11-10-17-20-12-13-24(17)23-18/h1-13H,(H2,21,22,25)
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n/an/a 5.20E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2 for 5 mins prior to addition of 10 uM ATP using poly-GluTyr by AlphaScreen analysis


Bioorg Med Chem 20: 7051-8 (2012)


Article DOI: 10.1016/j.bmc.2012.10.004
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM50402339
PNG
(CHEMBL2206666)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)Nc1cccc(Oc2ccc3nccn3n2)c1
Show InChI InChI=1S/C20H13F3N4O2/c21-20(22,23)14-4-1-3-13(11-14)19(28)25-15-5-2-6-16(12-15)29-18-8-7-17-24-9-10-27(17)26-18/h1-12H,(H,25,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of FGFR4 using FGFR4 and ATP by AlphaScreen analysis


Bioorg Med Chem 20: 7051-8 (2012)


Article DOI: 10.1016/j.bmc.2012.10.004
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50402339
PNG
(CHEMBL2206666)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)Nc1cccc(Oc2ccc3nccn3n2)c1
Show InChI InChI=1S/C20H13F3N4O2/c21-20(22,23)14-4-1-3-13(11-14)19(28)25-15-5-2-6-16(12-15)29-18-8-7-17-24-9-10-27(17)26-18/h1-12H,(H,25,28)
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of c-Met by AlphaScreen analysis


Bioorg Med Chem 20: 7051-8 (2012)


Article DOI: 10.1016/j.bmc.2012.10.004
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))
BDBM50402343
PNG
(CHEMBL2206664)
Show SMILES O=C(Nc1ccccc1)Nc1ccccc1Oc1ccc2nccn2n1
Show InChI InChI=1S/C19H15N5O2/c25-19(21-14-6-2-1-3-7-14)22-15-8-4-5-9-16(15)26-18-11-10-17-20-12-13-24(17)23-18/h1-13H,(H2,21,22,25)
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2 for 5 mins prior to addition of 10 uM ATP using poly-GluTyr by AlphaScreen analysis


Bioorg Med Chem 20: 7051-8 (2012)


Article DOI: 10.1016/j.bmc.2012.10.004
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50402339
PNG
(CHEMBL2206666)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)Nc1cccc(Oc2ccc3nccn3n2)c1
Show InChI InChI=1S/C20H13F3N4O2/c21-20(22,23)14-4-1-3-13(11-14)19(28)25-15-5-2-6-16(12-15)29-18-8-7-17-24-9-10-27(17)26-18/h1-12H,(H,25,28)
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of insulin receptor by AlphaScreen analysis


Bioorg Med Chem 20: 7051-8 (2012)


Article DOI: 10.1016/j.bmc.2012.10.004
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50402339
PNG
(CHEMBL2206666)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)Nc1cccc(Oc2ccc3nccn3n2)c1
Show InChI InChI=1S/C20H13F3N4O2/c21-20(22,23)14-4-1-3-13(11-14)19(28)25-15-5-2-6-16(12-15)29-18-8-7-17-24-9-10-27(17)26-18/h1-12H,(H,25,28)
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta using [gamma-33P]ATP by AlphaScreen analysis


Bioorg Med Chem 20: 7051-8 (2012)


Article DOI: 10.1016/j.bmc.2012.10.004
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50402339
PNG
(CHEMBL2206666)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)Nc1cccc(Oc2ccc3nccn3n2)c1
Show InChI InChI=1S/C20H13F3N4O2/c21-20(22,23)14-4-1-3-13(11-14)19(28)25-15-5-2-6-16(12-15)29-18-8-7-17-24-9-10-27(17)26-18/h1-12H,(H,25,28)
PDB
MMDB

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n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of IGF1-R by AlphaScreen analysis


Bioorg Med Chem 20: 7051-8 (2012)


Article DOI: 10.1016/j.bmc.2012.10.004
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%