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PubMed code 18682324

Compile data set for download or QSAR
Found 33 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))
BDBM50245422
PNG
(6-(6,7-dimethoxyquinolin-4-yloxy)-N-(2-methoxyphen...)
Show SMILES COc1ccccc1Nc1cccc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12
Show InChI InChI=1S/C28H24N2O4/c1-31-26-10-5-4-8-23(26)30-22-9-6-7-18-15-19(11-12-20(18)22)34-25-13-14-29-24-17-28(33-3)27(32-2)16-21(24)25/h4-17,30H,1-3H3
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n/an/a 1n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant KDR by HTRF assay


Bioorg Med Chem Lett 18: 4844-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.080
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))
BDBM50245420
PNG
(CHEMBL462168 | N-(6-(6,7-dimethoxyquinolin-4-yloxy...)
Show SMILES COc1cc2nccc(Oc3ccc4c(NC(=O)c5cccc(c5)C(F)(F)F)nn(C)c4c3)c2cc1OC
Show InChI InChI=1S/C27H21F3N4O4/c1-34-21-12-17(38-22-9-10-31-20-14-24(37-3)23(36-2)13-19(20)22)7-8-18(21)25(33-34)32-26(35)15-5-4-6-16(11-15)27(28,29)30/h4-14H,1-3H3,(H,32,33,35)
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n/an/a 1n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant KDR by HTRF assay


Bioorg Med Chem Lett 18: 4844-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.080
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))
BDBM50245169
PNG
(1-(6-(6,7-dimethoxyquinolin-4-yloxy)-1-methyl-1H-i...)
Show SMILES COc1ccc(NC(=O)Nc2nn(C)c3cc(Oc4ccnc5cc(OC)c(OC)cc45)ccc23)cc1
Show InChI InChI=1S/C27H25N5O5/c1-32-22-13-18(37-23-11-12-28-21-15-25(36-4)24(35-3)14-20(21)23)9-10-19(22)26(31-32)30-27(33)29-16-5-7-17(34-2)8-6-16/h5-15H,1-4H3,(H2,29,30,31,33)
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n/an/a 1n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant KDR by HTRF assay


Bioorg Med Chem Lett 18: 4844-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.080
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))
BDBM50245418
PNG
(CHEMBL518203 | N-(6-(6,7-dimethoxyquinolin-4-yloxy...)
Show SMILES COc1cc2nccc(Oc3ccc4c(NC(=O)c5cccc(C)c5)nn(C)c4c3)c2cc1OC
Show InChI InChI=1S/C27H24N4O4/c1-16-6-5-7-17(12-16)27(32)29-26-19-9-8-18(13-22(19)31(2)30-26)35-23-10-11-28-21-15-25(34-4)24(33-3)14-20(21)23/h5-15H,1-4H3,(H,29,30,32)
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n/an/a 2n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant KDR by HTRF assay


Bioorg Med Chem Lett 18: 4844-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.080
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))
BDBM50245378
PNG
(4-chloro-N-(6-(6,7-dimethoxyquinolin-4-yloxy)-1-me...)
Show SMILES COc1cc2nccc(Oc3ccc4c(NC(=O)c5cc(Cl)ccn5)nn(C)c4c3)c2cc1OC
Show InChI InChI=1S/C25H20ClN5O4/c1-31-20-11-15(35-21-7-9-27-18-13-23(34-3)22(33-2)12-17(18)21)4-5-16(20)24(30-31)29-25(32)19-10-14(26)6-8-28-19/h4-13H,1-3H3,(H,29,30,32)
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n/an/a 2n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant KDR by HTRF assay


Bioorg Med Chem Lett 18: 4844-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.080
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))
BDBM50245771
PNG
(1-(6-(6,7-dimethoxyquinolin-4-yloxy)-1-methyl-1H-i...)
Show SMILES COc1cc2nccc(Oc3ccc4c(NC(=O)Nc5ccc(C)cc5)nn(C)c4c3)c2cc1OC
Show InChI InChI=1S/C27H25N5O4/c1-16-5-7-17(8-6-16)29-27(33)30-26-19-10-9-18(13-22(19)32(2)31-26)36-23-11-12-28-21-15-25(35-4)24(34-3)14-20(21)23/h5-15H,1-4H3,(H2,29,30,31,33)
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Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant KDR by HTRF assay


Bioorg Med Chem Lett 18: 4844-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.080
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))
BDBM50245770
PNG
(1-(6-(6,7-dimethoxyquinolin-4-yloxy)-1-methyl-1H-i...)
Show SMILES COc1cc2nccc(Oc3ccc4c(NC(=O)Nc5ccccc5)nn(C)c4c3)c2cc1OC
Show InChI InChI=1S/C26H23N5O4/c1-31-21-13-17(35-22-11-12-27-20-15-24(34-3)23(33-2)14-19(20)22)9-10-18(21)25(30-31)29-26(32)28-16-7-5-4-6-8-16/h4-15H,1-3H3,(H2,28,29,30,32)
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Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant KDR by HTRF assay


Bioorg Med Chem Lett 18: 4844-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.080
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))
BDBM50245419
PNG
(CHEMBL450163 | N-(6-(6,7-dimethoxyquinolin-4-yloxy...)
Show SMILES COc1cc2nccc(Oc3ccc4c(NC(=O)c5cc(cc(c5)C(F)(F)F)C(F)(F)F)nn(C)c4c3)c2cc1OC
Show InChI InChI=1S/C28H20F6N4O4/c1-38-21-11-17(42-22-6-7-35-20-13-24(41-3)23(40-2)12-19(20)22)4-5-18(21)25(37-38)36-26(39)14-8-15(27(29,30)31)10-16(9-14)28(32,33)34/h4-13H,1-3H3,(H,36,37,39)
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Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant KDR by HTRF assay


Bioorg Med Chem Lett 18: 4844-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.080
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))
BDBM50245421
PNG
(6-(6,7-dimethoxyquinolin-4-yloxy)-N-phenylnaphthal...)
Show SMILES COc1cc2nccc(Oc3ccc4c(Nc5ccccc5)cccc4c3)c2cc1OC
Show InChI InChI=1S/C27H22N2O3/c1-30-26-16-22-24(17-27(26)31-2)28-14-13-25(22)32-20-11-12-21-18(15-20)7-6-10-23(21)29-19-8-4-3-5-9-19/h3-17,29H,1-2H3
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n/an/a 2n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant KDR by HTRF assay


Bioorg Med Chem Lett 18: 4844-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.080
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))
BDBM50245376
PNG
(CHEMBL462349 | N-(6-(6,7-dimethoxyquinolin-4-yloxy...)
Show SMILES COc1cc2nccc(Oc3ccc4c(NC(=O)c5ccc(cc5)C(F)(F)F)nn(C)c4c3)c2cc1OC
Show InChI InChI=1S/C27H21F3N4O4/c1-34-21-12-17(38-22-10-11-31-20-14-24(37-3)23(36-2)13-19(20)22)8-9-18(21)25(33-34)32-26(35)15-4-6-16(7-5-15)27(28,29)30/h4-14H,1-3H3,(H,32,33,35)
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Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant KDR by HTRF assay


Bioorg Med Chem Lett 18: 4844-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.080
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))
BDBM50245375
PNG
(CHEMBL462348 | N-(6-(6,7-dimethoxyquinolin-4-yloxy...)
Show SMILES COc1ccc(cc1)C(=O)Nc1nn(C)c2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12
Show InChI InChI=1S/C27H24N4O5/c1-31-22-13-18(36-23-11-12-28-21-15-25(35-4)24(34-3)14-20(21)23)9-10-19(22)26(30-31)29-27(32)16-5-7-17(33-2)8-6-16/h5-15H,1-4H3,(H,29,30,32)
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Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant KDR by HTRF assay


Bioorg Med Chem Lett 18: 4844-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.080
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))
BDBM50245377
PNG
(3-chloro-N-(6-(6,7-dimethoxyquinolin-4-yloxy)-1-me...)
Show SMILES COc1cc2nccc(Oc3ccc4c(NC(=O)c5ccc(F)c(Cl)c5)nn(C)c4c3)c2cc1OC
Show InChI InChI=1S/C26H20ClFN4O4/c1-32-21-11-15(36-22-8-9-29-20-13-24(35-3)23(34-2)12-17(20)22)5-6-16(21)25(31-32)30-26(33)14-4-7-19(28)18(27)10-14/h4-13H,1-3H3,(H,30,31,33)
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n/an/a 3n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant KDR by HTRF assay


Bioorg Med Chem Lett 18: 4844-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.080
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))
BDBM50245336
PNG
(4-chloro-N-(6-(6,7-dimethoxyquinolin-4-yloxy)-1-me...)
Show SMILES COc1cc2nccc(Oc3ccc4c(NC(=O)c5ccc(Cl)cc5)nn(C)c4c3)c2cc1OC
Show InChI InChI=1S/C26H21ClN4O4/c1-31-21-12-17(35-22-10-11-28-20-14-24(34-3)23(33-2)13-19(20)22)8-9-18(21)25(30-31)29-26(32)15-4-6-16(27)7-5-15/h4-14H,1-3H3,(H,29,30,32)
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n/an/a 5n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant KDR by HTRF assay


Bioorg Med Chem Lett 18: 4844-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.080
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))
BDBM50245769
PNG
(1-(2-chloro-4-(trifluoromethyl)phenyl)-3-(6-(6,7-d...)
Show SMILES COc1cc2nccc(Oc3ccc4c(NC(=O)Nc5ccc(cc5Cl)C(F)(F)F)nn(C)c4c3)c2cc1OC
Show InChI InChI=1S/C27H21ClF3N5O4/c1-36-21-11-15(40-22-8-9-32-20-13-24(39-3)23(38-2)12-17(20)22)5-6-16(21)25(35-36)34-26(37)33-19-7-4-14(10-18(19)28)27(29,30)31/h4-13H,1-3H3,(H2,33,34,35,37)
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n/an/a 8n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant KDR by HTRF assay


Bioorg Med Chem Lett 18: 4844-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.080
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))
BDBM50245335
PNG
(2-chloro-N-(6-(6,7-dimethoxyquinolin-4-yloxy)-1-me...)
Show SMILES COc1cc2nccc(Oc3ccc4c(NC(=O)c5ccccc5Cl)nn(C)c4c3)c2cc1OC
Show InChI InChI=1S/C26H21ClN4O4/c1-31-21-12-15(35-22-10-11-28-20-14-24(34-3)23(33-2)13-18(20)22)8-9-17(21)25(30-31)29-26(32)16-6-4-5-7-19(16)27/h4-14H,1-3H3,(H,29,30,32)
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n/an/a 8n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant KDR by HTRF assay


Bioorg Med Chem Lett 18: 4844-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.080
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50245420
PNG
(CHEMBL462168 | N-(6-(6,7-dimethoxyquinolin-4-yloxy...)
Show SMILES COc1cc2nccc(Oc3ccc4c(NC(=O)c5cccc(c5)C(F)(F)F)nn(C)c4c3)c2cc1OC
Show InChI InChI=1S/C27H21F3N4O4/c1-34-21-12-17(38-22-9-10-31-20-14-24(37-3)23(36-2)13-19(20)22)7-8-18(21)25(33-34)32-26(35)15-5-4-6-16(11-15)27(28,29)30/h4-14H,1-3H3,(H,32,33,35)
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n/an/a 45n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora 1 kinase


Bioorg Med Chem Lett 18: 4844-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.080
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))
BDBM50245333
PNG
(CHEMBL462381 | N-benzyl-6-(6,7-dimethoxyquinolin-4...)
Show SMILES COc1cc2nccc(Oc3ccc4c(NCc5ccccc5)nn(C)c4c3)c2cc1OC
Show InChI InChI=1S/C26H24N4O3/c1-30-22-13-18(9-10-19(22)26(29-30)28-16-17-7-5-4-6-8-17)33-23-11-12-27-21-15-25(32-3)24(31-2)14-20(21)23/h4-15H,16H2,1-3H3,(H,28,29)
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n/an/a 60n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant KDR by HTRF assay


Bioorg Med Chem Lett 18: 4844-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.080
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))
BDBM50245294
PNG
(6-(6,7-dimethoxyquinolin-4-yloxy)-1-methyl-N-(4-(t...)
Show SMILES COc1cc2nccc(Oc3ccc4c(Nc5ccc(cc5)C(F)(F)F)nn(C)c4c3)c2cc1OC
Show InChI InChI=1S/C26H21F3N4O3/c1-33-21-12-17(36-22-10-11-30-20-14-24(35-3)23(34-2)13-19(20)22)8-9-18(21)25(32-33)31-16-6-4-15(5-7-16)26(27,28)29/h4-14H,1-3H3,(H,31,32)
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n/an/a 70n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant KDR by HTRF assay


Bioorg Med Chem Lett 18: 4844-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.080
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))
BDBM50245420
PNG
(CHEMBL462168 | N-(6-(6,7-dimethoxyquinolin-4-yloxy...)
Show SMILES COc1cc2nccc(Oc3ccc4c(NC(=O)c5cccc(c5)C(F)(F)F)nn(C)c4c3)c2cc1OC
Show InChI InChI=1S/C27H21F3N4O4/c1-34-21-12-17(38-22-9-10-31-20-14-24(37-3)23(36-2)13-19(20)22)7-8-18(21)25(33-34)32-26(35)15-5-4-6-16(11-15)27(28,29)30/h4-14H,1-3H3,(H,32,33,35)
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n/an/a 121n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Tie 2


Bioorg Med Chem Lett 18: 4844-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.080
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))
BDBM50245293
PNG
(6-(6,7-dimethoxyquinolin-4-yloxy)-N-(4-methoxyphen...)
Show SMILES COc1ccc(Nc2nn(C)c3cc(Oc4ccnc5cc(OC)c(OC)cc45)ccc23)cc1
Show InChI InChI=1S/C26H24N4O4/c1-30-22-13-18(9-10-19(22)26(29-30)28-16-5-7-17(31-2)8-6-16)34-23-11-12-27-21-15-25(33-4)24(32-3)14-20(21)23/h5-15H,1-4H3,(H,28,29)
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n/an/a 160n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant KDR by HTRF assay


Bioorg Med Chem Lett 18: 4844-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.080
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))
BDBM50245292
PNG
(6-(6,7-dimethoxyquinolin-4-yloxy)-N-(3-methoxyphen...)
Show SMILES COc1cccc(Nc2nn(C)c3cc(Oc4ccnc5cc(OC)c(OC)cc45)ccc23)c1
Show InChI InChI=1S/C26H24N4O4/c1-30-22-13-18(8-9-19(22)26(29-30)28-16-6-5-7-17(12-16)31-2)34-23-10-11-27-21-15-25(33-4)24(32-3)14-20(21)23/h5-15H,1-4H3,(H,28,29)
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n/an/a 230n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant KDR by HTRF assay


Bioorg Med Chem Lett 18: 4844-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.080
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))
BDBM50245291
PNG
(6-(6,7-dimethoxyquinolin-4-yloxy)-1-methyl-N-pheny...)
Show SMILES COc1cc2nccc(Oc3ccc4c(Nc5ccccc5)nn(C)c4c3)c2cc1OC
Show InChI InChI=1S/C25H22N4O3/c1-29-21-13-17(9-10-18(21)25(28-29)27-16-7-5-4-6-8-16)32-22-11-12-26-20-15-24(31-3)23(30-2)14-19(20)22/h4-15H,1-3H3,(H,27,28)
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n/an/a 270n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant KDR by HTRF assay


Bioorg Med Chem Lett 18: 4844-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.080
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))
BDBM50245334
PNG
(CHEMBL462382 | N-(6-(6,7-dimethoxyquinolin-4-yloxy...)
Show SMILES COc1cc2nccc(Oc3ccc4c(NC(=O)C5CC5)nn(C)c4c3)c2cc1OC
Show InChI InChI=1S/C23H22N4O4/c1-27-18-10-14(6-7-15(18)22(26-27)25-23(28)13-4-5-13)31-19-8-9-24-17-12-21(30-3)20(29-2)11-16(17)19/h6-13H,4-5H2,1-3H3,(H,25,26,28)
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n/an/a 344n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant KDR by HTRF assay


Bioorg Med Chem Lett 18: 4844-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.080
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))
BDBM50245171
PNG
(6-(6,7-dimethoxyquinolin-4-yloxy)-N-ethyl-1-methyl...)
Show SMILES CCNc1nn(C)c2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12
Show InChI InChI=1S/C21H22N4O3/c1-5-22-21-14-7-6-13(10-17(14)25(2)24-21)28-18-8-9-23-16-12-20(27-4)19(26-3)11-15(16)18/h6-12H,5H2,1-4H3,(H,22,24)
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n/an/a 370n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant KDR by HTRF assay


Bioorg Med Chem Lett 18: 4844-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.080
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50245420
PNG
(CHEMBL462168 | N-(6-(6,7-dimethoxyquinolin-4-yloxy...)
Show SMILES COc1cc2nccc(Oc3ccc4c(NC(=O)c5cccc(c5)C(F)(F)F)nn(C)c4c3)c2cc1OC
Show InChI InChI=1S/C27H21F3N4O4/c1-34-21-12-17(38-22-9-10-31-20-14-24(37-3)23(36-2)13-19(20)22)7-8-18(21)25(33-34)32-26(35)15-5-4-6-16(11-15)27(28,29)30/h4-14H,1-3H3,(H,32,33,35)
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n/an/a 764n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora 2 kinase


Bioorg Med Chem Lett 18: 4844-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.080
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))
BDBM50245222
PNG
(CHEMBL453354 | N-butyl-6-(6,7-dimethoxyquinolin-4-...)
Show SMILES CCCCNc1nn(C)c2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12
Show InChI InChI=1S/C23H26N4O3/c1-5-6-10-25-23-16-8-7-15(12-19(16)27(2)26-23)30-20-9-11-24-18-14-22(29-4)21(28-3)13-17(18)20/h7-9,11-14H,5-6,10H2,1-4H3,(H,25,26)
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n/an/a 800n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant KDR by HTRF assay


Bioorg Med Chem Lett 18: 4844-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.080
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))
BDBM50245172
PNG
(6-(6,7-dimethoxyquinolin-4-yloxy)-1-methyl-N-propy...)
Show SMILES CCCNc1nn(C)c2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12
Show InChI InChI=1S/C22H24N4O3/c1-5-9-24-22-15-7-6-14(11-18(15)26(2)25-22)29-19-8-10-23-17-13-21(28-4)20(27-3)12-16(17)19/h6-8,10-13H,5,9H2,1-4H3,(H,24,25)
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n/an/a 1.11E+3n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant KDR by HTRF assay


Bioorg Med Chem Lett 18: 4844-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.080
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50245420
PNG
(CHEMBL462168 | N-(6-(6,7-dimethoxyquinolin-4-yloxy...)
Show SMILES COc1cc2nccc(Oc3ccc4c(NC(=O)c5cccc(c5)C(F)(F)F)nn(C)c4c3)c2cc1OC
Show InChI InChI=1S/C27H21F3N4O4/c1-34-21-12-17(38-22-9-10-31-20-14-24(37-3)23(36-2)13-19(20)22)7-8-18(21)25(33-34)32-26(35)15-5-4-6-16(11-15)27(28,29)30/h4-14H,1-3H3,(H,32,33,35)
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n/an/a 1.65E+3n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 18: 4844-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.080
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))
BDBM50245170
PNG
(6-(6,7-dimethoxyquinolin-4-yloxy)-1-methyl-1H-inda...)
Show SMILES COc1cc2nccc(Oc3ccc4c(N)nn(C)c4c3)c2cc1OC
Show InChI InChI=1S/C19H18N4O3/c1-23-15-8-11(4-5-12(15)19(20)22-23)26-16-6-7-21-14-10-18(25-3)17(24-2)9-13(14)16/h4-10H,1-3H3,(H2,20,22)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant KDR by HTRF assay


Bioorg Med Chem Lett 18: 4844-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.080
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50245420
PNG
(CHEMBL462168 | N-(6-(6,7-dimethoxyquinolin-4-yloxy...)
Show SMILES COc1cc2nccc(Oc3ccc4c(NC(=O)c5cccc(c5)C(F)(F)F)nn(C)c4c3)c2cc1OC
Show InChI InChI=1S/C27H21F3N4O4/c1-34-21-12-17(38-22-9-10-31-20-14-24(37-3)23(36-2)13-19(20)22)7-8-18(21)25(33-34)32-26(35)15-5-4-6-16(11-15)27(28,29)30/h4-14H,1-3H3,(H,32,33,35)
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n/an/a 3.25E+3n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3K


Bioorg Med Chem Lett 18: 4844-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.080
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50245420
PNG
(CHEMBL462168 | N-(6-(6,7-dimethoxyquinolin-4-yloxy...)
Show SMILES COc1cc2nccc(Oc3ccc4c(NC(=O)c5cccc(c5)C(F)(F)F)nn(C)c4c3)c2cc1OC
Show InChI InChI=1S/C27H21F3N4O4/c1-34-21-12-17(38-22-9-10-31-20-14-24(37-3)23(36-2)13-19(20)22)7-8-18(21)25(33-34)32-26(35)15-5-4-6-16(11-15)27(28,29)30/h4-14H,1-3H3,(H,32,33,35)
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n/an/a 3.32E+3n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of cMET


Bioorg Med Chem Lett 18: 4844-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.080
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50245420
PNG
(CHEMBL462168 | N-(6-(6,7-dimethoxyquinolin-4-yloxy...)
Show SMILES COc1cc2nccc(Oc3ccc4c(NC(=O)c5cccc(c5)C(F)(F)F)nn(C)c4c3)c2cc1OC
Show InChI InChI=1S/C27H21F3N4O4/c1-34-21-12-17(38-22-9-10-31-20-14-24(37-3)23(36-2)13-19(20)22)7-8-18(21)25(33-34)32-26(35)15-5-4-6-16(11-15)27(28,29)30/h4-14H,1-3H3,(H,32,33,35)
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n/an/a 2.50E+7n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of JAK2


Bioorg Med Chem Lett 18: 4844-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.080
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50245420
PNG
(CHEMBL462168 | N-(6-(6,7-dimethoxyquinolin-4-yloxy...)
Show SMILES COc1cc2nccc(Oc3ccc4c(NC(=O)c5cccc(c5)C(F)(F)F)nn(C)c4c3)c2cc1OC
Show InChI InChI=1S/C27H21F3N4O4/c1-34-21-12-17(38-22-9-10-31-20-14-24(37-3)23(36-2)13-19(20)22)7-8-18(21)25(33-34)32-26(35)15-5-4-6-16(11-15)27(28,29)30/h4-14H,1-3H3,(H,32,33,35)
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n/an/a 2.50E+7n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of JAK3


Bioorg Med Chem Lett 18: 4844-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.080
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%