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PubMed code 18324761

Compile data set for download or QSAR
Found 65 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))
BDBM50376042
PNG
(CHEMBL409512)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)Nc3ccc(Cl)cc3)c2cc1C(N)=O
Show InChI InChI=1S/C28H20ClN3O4/c1-35-26-15-24-22(14-23(26)27(30)33)25(11-12-31-24)36-19-9-10-20-16(13-19)3-2-4-21(20)28(34)32-18-7-5-17(29)6-8-18/h2-15H,1H3,(H2,30,33)(H,32,34)
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n/an/a 0.200n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


J Med Chem 51: 1649-67 (2008)


Article DOI: 10.1021/jm701097z
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))
BDBM50376040
PNG
(CHEMBL272824)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)Nc3ccccc3)c2cc1OC
Show InChI InChI=1S/C28H22N2O4/c1-32-26-16-23-24(17-27(26)33-2)29-14-13-25(23)34-20-11-12-21-18(15-20)7-6-10-22(21)28(31)30-19-8-4-3-5-9-19/h3-17H,1-2H3,(H,30,31)
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n/an/a 0.200n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


J Med Chem 51: 1649-67 (2008)


Article DOI: 10.1021/jm701097z
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))
BDBM50376025
PNG
(AMG-0309 | CHEMBL409538)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)Nc3ccon3)c2cc1OC
Show InChI InChI=1S/C25H19N3O5/c1-30-22-13-19-20(14-23(22)31-2)26-10-8-21(19)33-16-6-7-17-15(12-16)4-3-5-18(17)25(29)27-24-9-11-32-28-24/h3-14H,1-2H3,(H,27,28,29)
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n/an/a 0.200n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


J Med Chem 51: 1649-67 (2008)


Article DOI: 10.1021/jm701097z
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))
BDBM50376036
PNG
(CHEMBL270092)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)Nc3cccc(Cl)c3)c2cc1OC
Show InChI InChI=1S/C28H21ClN2O4/c1-33-26-15-23-24(16-27(26)34-2)30-12-11-25(23)35-20-9-10-21-17(13-20)5-3-8-22(21)28(32)31-19-7-4-6-18(29)14-19/h3-16H,1-2H3,(H,31,32)
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n/an/a 0.300n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


J Med Chem 51: 1649-67 (2008)


Article DOI: 10.1021/jm701097z
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))
BDBM50376026
PNG
(CHEMBL272691)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)Nc3nccs3)c2cc1OC
Show InChI InChI=1S/C25H19N3O4S/c1-30-22-13-19-20(14-23(22)31-2)26-9-8-21(19)32-16-6-7-17-15(12-16)4-3-5-18(17)24(29)28-25-27-10-11-33-25/h3-14H,1-2H3,(H,27,28,29)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


J Med Chem 51: 1649-67 (2008)


Article DOI: 10.1021/jm701097z
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))
BDBM50376030
PNG
(CHEMBL269916)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)Nc3cc(Cl)cc(Cl)c3)c2cc1OC
Show InChI InChI=1S/C28H20Cl2N2O4/c1-34-26-14-23-24(15-27(26)35-2)31-9-8-25(23)36-20-6-7-21-16(10-20)4-3-5-22(21)28(33)32-19-12-17(29)11-18(30)13-19/h3-15H,1-2H3,(H,32,33)
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n/an/a 0.300n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


J Med Chem 51: 1649-67 (2008)


Article DOI: 10.1021/jm701097z
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))
BDBM50376019
PNG
(CHEMBL429585)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3F)C(=O)Nc3ccc(Cl)cc3)c2cc1OC
Show InChI InChI=1S/C28H20ClFN2O4/c1-34-25-14-21-22(15-26(25)35-2)31-13-12-23(21)36-24-11-10-18-19(27(24)30)4-3-5-20(18)28(33)32-17-8-6-16(29)7-9-17/h3-15H,1-2H3,(H,32,33)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


J Med Chem 51: 1649-67 (2008)


Article DOI: 10.1021/jm701097z
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))
BDBM50376033
PNG
(CHEMBL270985)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)Nc3ccc(cc3)C(F)(F)F)c2cc1OC
Show InChI InChI=1S/C29H21F3N2O4/c1-36-26-15-23-24(16-27(26)37-2)33-13-12-25(23)38-20-10-11-21-17(14-20)4-3-5-22(21)28(35)34-19-8-6-18(7-9-19)29(30,31)32/h3-16H,1-2H3,(H,34,35)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


J Med Chem 51: 1649-67 (2008)


Article DOI: 10.1021/jm701097z
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50236362
PNG
(CHEMBL429743 | N-(4-chlorophenyl)-6-(6,7-dimethoxy...)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)Nc3ccc(Cl)cc3)c2cc1OC
Show InChI InChI=1S/C28H21ClN2O4/c1-33-26-15-23-24(16-27(26)34-2)30-13-12-25(23)35-20-10-11-21-17(14-20)4-3-5-22(21)28(32)31-19-8-6-18(29)7-9-19/h3-16H,1-2H3,(H,31,32)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of VEGFR1


J Med Chem 51: 1649-67 (2008)


Article DOI: 10.1021/jm701097z
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))
BDBM50236362
PNG
(CHEMBL429743 | N-(4-chlorophenyl)-6-(6,7-dimethoxy...)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)Nc3ccc(Cl)cc3)c2cc1OC
Show InChI InChI=1S/C28H21ClN2O4/c1-33-26-15-23-24(16-27(26)34-2)30-13-12-25(23)35-20-10-11-21-17(14-20)4-3-5-22(21)28(32)31-19-8-6-18(29)7-9-19/h3-16H,1-2H3,(H,31,32)
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n/an/a 0.5n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


J Med Chem 51: 1649-67 (2008)


Article DOI: 10.1021/jm701097z
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))
BDBM50376035
PNG
(AMG-6168 | CHEMBL411091)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)Nc3ccc(C)cc3)c2cc1OC
Show InChI InChI=1S/C29H24N2O4/c1-18-7-9-20(10-8-18)31-29(32)23-6-4-5-19-15-21(11-12-22(19)23)35-26-13-14-30-25-17-28(34-3)27(33-2)16-24(25)26/h4-17H,1-3H3,(H,31,32)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


J Med Chem 51: 1649-67 (2008)


Article DOI: 10.1021/jm701097z
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))
BDBM50376034
PNG
(CHEMBL271563)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)Nc3cccc(c3)C(F)(F)F)c2cc1OC
Show InChI InChI=1S/C29H21F3N2O4/c1-36-26-15-23-24(16-27(26)37-2)33-12-11-25(23)38-20-9-10-21-17(13-20)5-3-8-22(21)28(35)34-19-7-4-6-18(14-19)29(30,31)32/h3-16H,1-2H3,(H,34,35)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


J Med Chem 51: 1649-67 (2008)


Article DOI: 10.1021/jm701097z
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))
BDBM50236856
PNG
(CHEMBL272198 | N-cyclopropyl-6-(6,7-dimethoxyquino...)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NC3CC3)c2cc1OC
Show InChI InChI=1S/C25H22N2O4/c1-29-23-13-20-21(14-24(23)30-2)26-11-10-22(20)31-17-8-9-18-15(12-17)4-3-5-19(18)25(28)27-16-6-7-16/h3-5,8-14,16H,6-7H2,1-2H3,(H,27,28)
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n/an/a 0.600n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


J Med Chem 51: 1649-67 (2008)


Article DOI: 10.1021/jm701097z
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))
BDBM50376024
PNG
(CHEMBL259461)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)Nc3cc(C)on3)c2cc1OC
Show InChI InChI=1S/C26H21N3O5/c1-15-11-25(29-34-15)28-26(30)19-6-4-5-16-12-17(7-8-18(16)19)33-22-9-10-27-21-14-24(32-3)23(31-2)13-20(21)22/h4-14H,1-3H3,(H,28,29,30)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


J Med Chem 51: 1649-67 (2008)


Article DOI: 10.1021/jm701097z
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))
BDBM50376038
PNG
(CHEMBL412291)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)Nc3cccc(F)c3)c2cc1OC
Show InChI InChI=1S/C28H21FN2O4/c1-33-26-15-23-24(16-27(26)34-2)30-12-11-25(23)35-20-9-10-21-17(13-20)5-3-8-22(21)28(32)31-19-7-4-6-18(29)14-19/h3-16H,1-2H3,(H,31,32)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


J Med Chem 51: 1649-67 (2008)


Article DOI: 10.1021/jm701097z
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))
BDBM50376032
PNG
(CHEMBL407715)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)Nc3ccc(cc3)C(C)(C)C)c2cc1OC
Show InChI InChI=1S/C32H30N2O4/c1-32(2,3)21-9-11-22(12-10-21)34-31(35)25-8-6-7-20-17-23(13-14-24(20)25)38-28-15-16-33-27-19-30(37-5)29(36-4)18-26(27)28/h6-19H,1-5H3,(H,34,35)
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n/an/a 0.700n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


J Med Chem 51: 1649-67 (2008)


Article DOI: 10.1021/jm701097z
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))
BDBM50376023
PNG
(CHEMBL408478)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)Nc3cc(on3)C(C)(C)C)c2cc1OC
Show InChI InChI=1S/C29H27N3O5/c1-29(2,3)26-16-27(32-37-26)31-28(33)20-8-6-7-17-13-18(9-10-19(17)20)36-23-11-12-30-22-15-25(35-5)24(34-4)14-21(22)23/h6-16H,1-5H3,(H,31,32,33)
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n/an/a 0.800n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


J Med Chem 51: 1649-67 (2008)


Article DOI: 10.1021/jm701097z
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))
BDBM50376028
PNG
(CHEMBL406388)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)Nc3cccnc3)c2cc1OC
Show InChI InChI=1S/C27H21N3O4/c1-32-25-14-22-23(15-26(25)33-2)29-12-10-24(22)34-19-8-9-20-17(13-19)5-3-7-21(20)27(31)30-18-6-4-11-28-16-18/h3-16H,1-2H3,(H,30,31)
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n/an/a 0.800n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


J Med Chem 51: 1649-67 (2008)


Article DOI: 10.1021/jm701097z
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))
BDBM50376020
PNG
(CHEMBL269915)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)Nc3ccccn3)c2cc1OC
Show InChI InChI=1S/C27H21N3O4/c1-32-24-15-21-22(16-25(24)33-2)28-13-11-23(21)34-18-9-10-19-17(14-18)6-5-7-20(19)27(31)30-26-8-3-4-12-29-26/h3-16H,1-2H3,(H,29,30,31)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


J Med Chem 51: 1649-67 (2008)


Article DOI: 10.1021/jm701097z
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))
BDBM50376037
PNG
(CHEMBL410841)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)Nc3ccc(F)cc3)c2cc1OC
Show InChI InChI=1S/C28H21FN2O4/c1-33-26-15-23-24(16-27(26)34-2)30-13-12-25(23)35-20-10-11-21-17(14-20)4-3-5-22(21)28(32)31-19-8-6-18(29)7-9-19/h3-16H,1-2H3,(H,31,32)
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n/an/a 1n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


J Med Chem 51: 1649-67 (2008)


Article DOI: 10.1021/jm701097z
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50236362
PNG
(CHEMBL429743 | N-(4-chlorophenyl)-6-(6,7-dimethoxy...)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)Nc3ccc(Cl)cc3)c2cc1OC
Show InChI InChI=1S/C28H21ClN2O4/c1-33-26-15-23-24(16-27(26)34-2)30-13-12-25(23)35-20-10-11-21-17(14-20)4-3-5-22(21)28(32)31-19-8-6-18(29)7-9-19/h3-16H,1-2H3,(H,31,32)
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n/an/a<1n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta


J Med Chem 51: 1649-67 (2008)


Article DOI: 10.1021/jm701097z
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))
BDBM50376044
PNG
(CHEMBL273062)
Show SMILES COc1ccc2c(Oc3ccc4c(cccc4c3)C(=O)Nc3ccc(Cl)cc3)ccnc2c1
Show InChI InChI=1S/C27H19ClN2O3/c1-32-20-9-12-24-25(16-20)29-14-13-26(24)33-21-10-11-22-17(15-21)3-2-4-23(22)27(31)30-19-7-5-18(28)6-8-19/h2-16H,1H3,(H,30,31)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


J Med Chem 51: 1649-67 (2008)


Article DOI: 10.1021/jm701097z
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))
BDBM50376029
PNG
(CHEMBL269914)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c2cc1OC
Show InChI InChI=1S/C29H20ClF3N2O4/c1-37-26-14-21-24(15-27(26)38-2)34-11-10-25(21)39-18-7-8-19-16(12-18)4-3-5-20(19)28(36)35-17-6-9-23(30)22(13-17)29(31,32)33/h3-15H,1-2H3,(H,35,36)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


J Med Chem 51: 1649-67 (2008)


Article DOI: 10.1021/jm701097z
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))
BDBM50376014
PNG
(CHEMBL270978)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)Nc3cc(C)no3)c2cc1OC
Show InChI InChI=1S/C26H21N3O5/c1-15-11-25(34-29-15)28-26(30)19-6-4-5-16-12-17(7-8-18(16)19)33-22-9-10-27-21-14-24(32-3)23(31-2)13-20(21)22/h4-14H,1-3H3,(H,28,30)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


J Med Chem 51: 1649-67 (2008)


Article DOI: 10.1021/jm701097z
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))
BDBM50376009
PNG
(CHEMBL409103)
Show SMILES CCCNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12
Show InChI InChI=1S/C25H24N2O4/c1-4-11-27-25(28)19-7-5-6-16-13-17(8-9-18(16)19)31-22-10-12-26-21-15-24(30-3)23(29-2)14-20(21)22/h5-10,12-15H,4,11H2,1-3H3,(H,27,28)
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n/an/a 1.30n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


J Med Chem 51: 1649-67 (2008)


Article DOI: 10.1021/jm701097z
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50236362
PNG
(CHEMBL429743 | N-(4-chlorophenyl)-6-(6,7-dimethoxy...)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)Nc3ccc(Cl)cc3)c2cc1OC
Show InChI InChI=1S/C28H21ClN2O4/c1-33-26-15-23-24(16-27(26)34-2)30-13-12-25(23)35-20-10-11-21-17(14-20)4-3-5-22(21)28(32)31-19-8-6-18(29)7-9-19/h3-16H,1-2H3,(H,31,32)
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n/an/a 2n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of VEGFR3


J Med Chem 51: 1649-67 (2008)


Article DOI: 10.1021/jm701097z
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))
BDBM50376041
PNG
(CHEMBL272823)
Show SMILES COc1cc2ncnc(Oc3ccc4c(cccc4c3)C(=O)Nc3ccc(Cl)cc3)c2cc1OC
Show InChI InChI=1S/C27H20ClN3O4/c1-33-24-13-22-23(14-25(24)34-2)29-15-30-27(22)35-19-10-11-20-16(12-19)4-3-5-21(20)26(32)31-18-8-6-17(28)7-9-18/h3-15H,1-2H3,(H,31,32)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


J Med Chem 51: 1649-67 (2008)


Article DOI: 10.1021/jm701097z
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))
BDBM50376027
PNG
(CHEMBL272693)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)Nc3ccncc3)c2cc1OC
Show InChI InChI=1S/C27H21N3O4/c1-32-25-15-22-23(16-26(25)33-2)29-13-10-24(22)34-19-6-7-20-17(14-19)4-3-5-21(20)27(31)30-18-8-11-28-12-9-18/h3-16H,1-2H3,(H,28,30,31)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


J Med Chem 51: 1649-67 (2008)


Article DOI: 10.1021/jm701097z
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))
BDBM50376039
PNG
(CHEMBL270547)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)Nc3ccccc3F)c2cc1OC
Show InChI InChI=1S/C28H21FN2O4/c1-33-26-15-21-24(16-27(26)34-2)30-13-12-25(21)35-18-10-11-19-17(14-18)6-5-7-20(19)28(32)31-23-9-4-3-8-22(23)29/h3-16H,1-2H3,(H,31,32)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


J Med Chem 51: 1649-67 (2008)


Article DOI: 10.1021/jm701097z
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))
BDBM50376031
PNG
(CHEMBL270983)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)Nc3ccc(Cl)cc3Cl)c2cc1OC
Show InChI InChI=1S/C28H20Cl2N2O4/c1-34-26-14-21-24(15-27(26)35-2)31-11-10-25(21)36-18-7-8-19-16(12-18)4-3-5-20(19)28(33)32-23-9-6-17(29)13-22(23)30/h3-15H,1-2H3,(H,32,33)
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n/an/a 2n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


J Med Chem 51: 1649-67 (2008)


Article DOI: 10.1021/jm701097z
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))
BDBM14974
PNG
(CHEMBL221484 | N-(3-(3-(Dimethylamino)propyl)-5-(t...)
Show SMILES CN(C)CCCc1cc(NC(=O)c2ccc(C)c(Nc3ncccc3-c3ccncn3)c2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C29H29F3N6O/c1-19-8-9-21(16-26(19)37-27-24(7-4-11-34-27)25-10-12-33-18-35-25)28(39)36-23-15-20(6-5-13-38(2)3)14-22(17-23)29(30,31)32/h4,7-12,14-18H,5-6,13H2,1-3H3,(H,34,37)(H,36,39)
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n/an/a 2n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


J Med Chem 51: 1649-67 (2008)


Article DOI: 10.1021/jm701097z
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))
BDBM50375993
PNG
(CHEMBL259252)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NC3CCC3)c2cc1OC
Show InChI InChI=1S/C26H24N2O4/c1-30-24-14-21-22(15-25(24)31-2)27-12-11-23(21)32-18-9-10-19-16(13-18)5-3-8-20(19)26(29)28-17-6-4-7-17/h3,5,8-15,17H,4,6-7H2,1-2H3,(H,28,29)
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n/an/a 3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


J Med Chem 51: 1649-67 (2008)


Article DOI: 10.1021/jm701097z
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))
BDBM50376022
PNG
(CHEMBL271181)
Show SMILES CNC(=O)c1cc(Oc2ccc3c(cccc3c2)C(=O)Nc2ccc(Cl)cc2)ccn1
Show InChI InChI=1S/C24H18ClN3O3/c1-26-24(30)22-14-19(11-12-27-22)31-18-9-10-20-15(13-18)3-2-4-21(20)23(29)28-17-7-5-16(25)6-8-17/h2-14H,1H3,(H,26,30)(H,28,29)
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n/an/a 3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


J Med Chem 51: 1649-67 (2008)


Article DOI: 10.1021/jm701097z
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))
BDBM50376021
PNG
(CHEMBL429410)
Show SMILES CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)c(OC[C@H]5CCCN5C)c4)nc3c2)ccn1
Show InChI InChI=1S/C26H26ClN5O4/c1-28-25(33)22-14-19(9-10-29-22)35-18-6-8-23-21(13-18)31-26(36-23)30-16-5-7-20(27)24(12-16)34-15-17-4-3-11-32(17)2/h5-10,12-14,17H,3-4,11,15H2,1-2H3,(H,28,33)(H,30,31)/t17-/m1/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


J Med Chem 51: 1649-67 (2008)


Article DOI: 10.1021/jm701097z
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))
BDBM50376045
PNG
(CHEMBL273064)
Show SMILES Clc1ccc(NC(=O)c2cccc3cc(Oc4ccnc5ccccc45)ccc23)cc1
Show InChI InChI=1S/C26H17ClN2O2/c27-18-8-10-19(11-9-18)29-26(30)22-6-3-4-17-16-20(12-13-21(17)22)31-25-14-15-28-24-7-2-1-5-23(24)25/h1-16H,(H,29,30)
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n/an/a 4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


J Med Chem 51: 1649-67 (2008)


Article DOI: 10.1021/jm701097z
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))
BDBM50376008
PNG
(CHEMBL408211)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NC(C)C)c2cc1OC
Show InChI InChI=1S/C25H24N2O4/c1-15(2)27-25(28)19-7-5-6-16-12-17(8-9-18(16)19)31-22-10-11-26-21-14-24(30-4)23(29-3)13-20(21)22/h5-15H,1-4H3,(H,27,28)
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n/an/a 5n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


J Med Chem 51: 1649-67 (2008)


Article DOI: 10.1021/jm701097z
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))
BDBM50376050
PNG
(CHEMBL272827)
Show SMILES CNc1cc(Oc2ccc3c(cccc3c2)C(=O)Nc2ccc(Cl)cc2)ccn1
Show InChI InChI=1S/C23H18ClN3O2/c1-25-22-14-19(11-12-26-22)29-18-9-10-20-15(13-18)3-2-4-21(20)23(28)27-17-7-5-16(24)6-8-17/h2-14H,1H3,(H,25,26)(H,27,28)
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n/an/a 7n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


J Med Chem 51: 1649-67 (2008)


Article DOI: 10.1021/jm701097z
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))
BDBM50376016
PNG
(CHEMBL270277)
Show SMILES COc1cc2nccc(Nc3ccc4c(cccc4c3)C(=O)Nc3ccc(Cl)cc3)c2cc1OC
Show InChI InChI=1S/C28H22ClN3O3/c1-34-26-15-23-24(12-13-30-25(23)16-27(26)35-2)31-20-10-11-21-17(14-20)4-3-5-22(21)28(33)32-19-8-6-18(29)7-9-19/h3-16H,1-2H3,(H,30,31)(H,32,33)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


J Med Chem 51: 1649-67 (2008)


Article DOI: 10.1021/jm701097z
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))
BDBM50376013
PNG
(CHEMBL410903)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NC3CCCC3)c2cc1OC
Show InChI InChI=1S/C27H26N2O4/c1-31-25-15-22-23(16-26(25)32-2)28-13-12-24(22)33-19-10-11-20-17(14-19)6-5-9-21(20)27(30)29-18-7-3-4-8-18/h5-6,9-16,18H,3-4,7-8H2,1-2H3,(H,29,30)
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n/an/a 9n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


J Med Chem 51: 1649-67 (2008)


Article DOI: 10.1021/jm701097z
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))
BDBM50375992
PNG
(CHEMBL428961)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NC3(C)CC3)c2cc1OC
Show InChI InChI=1S/C26H24N2O4/c1-26(10-11-26)28-25(29)19-6-4-5-16-13-17(7-8-18(16)19)32-22-9-12-27-21-15-24(31-3)23(30-2)14-20(21)22/h4-9,12-15H,10-11H2,1-3H3,(H,28,29)
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n/an/a 15n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


J Med Chem 51: 1649-67 (2008)


Article DOI: 10.1021/jm701097z
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))
BDBM50376051
PNG
(CHEMBL269891)
Show SMILES Clc1ccc(NC(=O)c2cccc3cc(Oc4ccncc4)ccc23)cc1
Show InChI InChI=1S/C22H15ClN2O2/c23-16-4-6-17(7-5-16)25-22(26)21-3-1-2-15-14-19(8-9-20(15)21)27-18-10-12-24-13-11-18/h1-14H,(H,25,26)
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n/an/a 18n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


J Med Chem 51: 1649-67 (2008)


Article DOI: 10.1021/jm701097z
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50236362
PNG
(CHEMBL429743 | N-(4-chlorophenyl)-6-(6,7-dimethoxy...)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)Nc3ccc(Cl)cc3)c2cc1OC
Show InChI InChI=1S/C28H21ClN2O4/c1-33-26-15-23-24(16-27(26)34-2)30-13-12-25(23)35-20-10-11-21-17(14-20)4-3-5-22(21)28(32)31-19-8-6-18(29)7-9-19/h3-16H,1-2H3,(H,31,32)
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n/an/a 18n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B


J Med Chem 51: 1649-67 (2008)


Article DOI: 10.1021/jm701097z
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))
BDBM50376043
PNG
(CHEMBL272449)
Show SMILES COc1cc2ncc(F)c(Oc3ccc4c(cccc4c3)C(=O)Nc3ccc(Cl)cc3)c2cc1OC
Show InChI InChI=1S/C28H20ClFN2O4/c1-34-25-13-22-24(14-26(25)35-2)31-15-23(30)27(22)36-19-10-11-20-16(12-19)4-3-5-21(20)28(33)32-18-8-6-17(29)7-9-18/h3-15H,1-2H3,(H,32,33)
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n/an/a 20n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


J Med Chem 51: 1649-67 (2008)


Article DOI: 10.1021/jm701097z
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))
BDBM50376047
PNG
(CHEMBL272670)
Show SMILES CNc1cc(Oc2ccc3c(cccc3c2)C(=O)Nc2ccc(Cl)cc2)ncn1
Show InChI InChI=1S/C22H17ClN4O2/c1-24-20-12-21(26-13-25-20)29-17-9-10-18-14(11-17)3-2-4-19(18)22(28)27-16-7-5-15(23)6-8-16/h2-13H,1H3,(H,27,28)(H,24,25,26)
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n/an/a 20n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


J Med Chem 51: 1649-67 (2008)


Article DOI: 10.1021/jm701097z
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50236362
PNG
(CHEMBL429743 | N-(4-chlorophenyl)-6-(6,7-dimethoxy...)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)Nc3ccc(Cl)cc3)c2cc1OC
Show InChI InChI=1S/C28H21ClN2O4/c1-33-26-15-23-24(16-27(26)34-2)30-13-12-25(23)35-20-10-11-21-17(14-20)4-3-5-22(21)28(32)31-19-8-6-18(29)7-9-19/h3-16H,1-2H3,(H,31,32)
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n/an/a 20n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-FMS


J Med Chem 51: 1649-67 (2008)


Article DOI: 10.1021/jm701097z
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))
BDBM50376018
PNG
(CHEMBL270745)
Show SMILES COc1cc2nccc(Oc3ccc4c(ccnc4c3)C(=O)Nc3ccc(Cl)cc3)c2cc1OC
Show InChI InChI=1S/C27H20ClN3O4/c1-33-25-14-21-23(15-26(25)34-2)30-12-10-24(21)35-18-7-8-19-20(9-11-29-22(19)13-18)27(32)31-17-5-3-16(28)4-6-17/h3-15H,1-2H3,(H,31,32)
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n/an/a 22n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


J Med Chem 51: 1649-67 (2008)


Article DOI: 10.1021/jm701097z
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))
BDBM50376017
PNG
(CHEMBL446367)
Show SMILES COc1cc2nccc(Oc3cc4cccc(C(=O)Nc5ccc(Cl)cc5)c4cn3)c2cc1OC
Show InChI InChI=1S/C27H20ClN3O4/c1-33-24-13-20-22(14-25(24)34-2)29-11-10-23(20)35-26-12-16-4-3-5-19(21(16)15-30-26)27(32)31-18-8-6-17(28)7-9-18/h3-15H,1-2H3,(H,31,32)
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n/an/a 23n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


J Med Chem 51: 1649-67 (2008)


Article DOI: 10.1021/jm701097z
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))
BDBM50376046
PNG
(CHEMBL410093)
Show SMILES Clc1ccc(NC(=O)c2cccc3cc(Oc4ncnc5[nH]ccc45)ccc23)cc1
Show InChI InChI=1S/C23H15ClN4O2/c24-15-4-6-16(7-5-15)28-22(29)19-3-1-2-14-12-17(8-9-18(14)19)30-23-20-10-11-25-21(20)26-13-27-23/h1-13H,(H,28,29)(H,25,26,27)
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n/an/a 28n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


J Med Chem 51: 1649-67 (2008)


Article DOI: 10.1021/jm701097z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50236362
PNG
(CHEMBL429743 | N-(4-chlorophenyl)-6-(6,7-dimethoxy...)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)Nc3ccc(Cl)cc3)c2cc1OC
Show InChI InChI=1S/C28H21ClN2O4/c1-33-26-15-23-24(16-27(26)34-2)30-13-12-25(23)35-20-10-11-21-17(14-20)4-3-5-22(21)28(32)31-19-8-6-18(29)7-9-19/h3-16H,1-2H3,(H,31,32)
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n/an/a 38n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Lck


J Med Chem 51: 1649-67 (2008)


Article DOI: 10.1021/jm701097z
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))
BDBM50376048
PNG
(CHEMBL413933)
Show SMILES CNc1nccc(Oc2ccc3c(cccc3c2)C(=O)Nc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C22H17ClN4O2/c1-24-22-25-12-11-20(27-22)29-17-9-10-18-14(13-17)3-2-4-19(18)21(28)26-16-7-5-15(23)6-8-16/h2-13H,1H3,(H,26,28)(H,24,25,27)
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n/an/a 46n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


J Med Chem 51: 1649-67 (2008)


Article DOI: 10.1021/jm701097z
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM50236362
PNG
(CHEMBL429743 | N-(4-chlorophenyl)-6-(6,7-dimethoxy...)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)Nc3ccc(Cl)cc3)c2cc1OC
Show InChI InChI=1S/C28H21ClN2O4/c1-33-26-15-23-24(16-27(26)34-2)30-13-12-25(23)35-20-10-11-21-17(14-20)4-3-5-22(21)28(32)31-19-8-6-18(29)7-9-19/h3-16H,1-2H3,(H,31,32)
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n/an/a 55n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of FGFR2


J Med Chem 51: 1649-67 (2008)


Article DOI: 10.1021/jm701097z
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50376027
PNG
(CHEMBL272693)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)Nc3ccncc3)c2cc1OC
Show InChI InChI=1S/C27H21N3O4/c1-32-25-15-22-23(16-26(25)33-2)29-13-10-24(22)34-19-6-7-20-17(14-19)4-3-5-21(20)27(31)30-18-8-11-28-12-9-18/h3-16H,1-2H3,(H,28,30,31)
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n/an/a 100n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


J Med Chem 51: 1649-67 (2008)


Article DOI: 10.1021/jm701097z
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))
BDBM50376049
PNG
(CHEMBL270258)
Show SMILES Clc1ccc(NC(=O)c2cccc3cc(Oc4ccncn4)ccc23)cc1
Show InChI InChI=1S/C21H14ClN3O2/c22-15-4-6-16(7-5-15)25-21(26)19-3-1-2-14-12-17(8-9-18(14)19)27-20-10-11-23-13-24-20/h1-13H,(H,25,26)
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n/an/a 310n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


J Med Chem 51: 1649-67 (2008)


Article DOI: 10.1021/jm701097z
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50376027
PNG
(CHEMBL272693)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)Nc3ccncc3)c2cc1OC
Show InChI InChI=1S/C27H21N3O4/c1-32-25-15-22-23(16-26(25)33-2)29-13-10-24(22)34-19-6-7-20-17(14-19)4-3-5-21(20)27(31)30-18-8-11-28-12-9-18/h3-16H,1-2H3,(H,28,30,31)
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n/an/a 700n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


J Med Chem 51: 1649-67 (2008)


Article DOI: 10.1021/jm701097z
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))
BDBM50376015
PNG
(CHEMBL271414)
Show SMILES COc1cc2nccc(N(C)c3ccc4c(cccc4c3)C(=O)Nc3ccc(Cl)cc3)c2cc1OC
Show InChI InChI=1S/C29H24ClN3O3/c1-33(26-13-14-31-25-17-28(36-3)27(35-2)16-24(25)26)21-11-12-22-18(15-21)5-4-6-23(22)29(34)32-20-9-7-19(30)8-10-20/h4-17H,1-3H3,(H,32,34)
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n/an/a>1.40E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


J Med Chem 51: 1649-67 (2008)


Article DOI: 10.1021/jm701097z
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50376028
PNG
(CHEMBL406388)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)Nc3cccnc3)c2cc1OC
Show InChI InChI=1S/C27H21N3O4/c1-32-25-14-22-23(15-26(25)33-2)29-12-10-24(22)34-19-8-9-20-17(13-19)5-3-7-21(20)27(31)30-18-6-4-11-28-16-18/h3-16H,1-2H3,(H,30,31)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


J Med Chem 51: 1649-67 (2008)


Article DOI: 10.1021/jm701097z
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50376020
PNG
(CHEMBL269915)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)Nc3ccccn3)c2cc1OC
Show InChI InChI=1S/C27H21N3O4/c1-32-24-15-21-22(16-25(24)33-2)28-13-11-23(21)34-18-9-10-19-17(14-18)6-5-7-20(19)27(31)30-26-8-3-4-12-29-26/h3-16H,1-2H3,(H,29,30,31)
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n/an/a 1.30E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


J Med Chem 51: 1649-67 (2008)


Article DOI: 10.1021/jm701097z
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50376028
PNG
(CHEMBL406388)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)Nc3cccnc3)c2cc1OC
Show InChI InChI=1S/C27H21N3O4/c1-32-25-14-22-23(15-26(25)33-2)29-12-10-24(22)34-19-8-9-20-17(13-19)5-3-7-21(20)27(31)30-18-6-4-11-28-16-18/h3-16H,1-2H3,(H,30,31)
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n/an/a 1.70E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


J Med Chem 51: 1649-67 (2008)


Article DOI: 10.1021/jm701097z
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50376014
PNG
(CHEMBL270978)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)Nc3cc(C)no3)c2cc1OC
Show InChI InChI=1S/C26H21N3O5/c1-15-11-25(34-29-15)28-26(30)19-6-4-5-16-12-17(7-8-18(16)19)33-22-9-10-27-21-14-24(32-3)23(31-2)13-20(21)22/h4-14H,1-3H3,(H,28,30)
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n/an/a 4.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


J Med Chem 51: 1649-67 (2008)


Article DOI: 10.1021/jm701097z
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50376019
PNG
(CHEMBL429585)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3F)C(=O)Nc3ccc(Cl)cc3)c2cc1OC
Show InChI InChI=1S/C28H20ClFN2O4/c1-34-25-14-21-22(15-26(25)35-2)31-13-12-23(21)36-24-11-10-18-19(27(24)30)4-3-5-20(18)28(33)32-17-8-6-16(29)7-9-17/h3-15H,1-2H3,(H,32,33)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


J Med Chem 51: 1649-67 (2008)


Article DOI: 10.1021/jm701097z
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50376020
PNG
(CHEMBL269915)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)Nc3ccccn3)c2cc1OC
Show InChI InChI=1S/C27H21N3O4/c1-32-24-15-21-22(16-25(24)33-2)28-13-11-23(21)34-18-9-10-19-17(14-18)6-5-7-20(19)27(31)30-26-8-3-4-12-29-26/h3-16H,1-2H3,(H,29,30,31)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


J Med Chem 51: 1649-67 (2008)


Article DOI: 10.1021/jm701097z
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50236362
PNG
(CHEMBL429743 | N-(4-chlorophenyl)-6-(6,7-dimethoxy...)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)Nc3ccc(Cl)cc3)c2cc1OC
Show InChI InChI=1S/C28H21ClN2O4/c1-33-26-15-23-24(16-27(26)34-2)30-13-12-25(23)35-20-10-11-21-17(14-20)4-3-5-22(21)28(32)31-19-8-6-18(29)7-9-19/h3-16H,1-2H3,(H,31,32)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


J Med Chem 51: 1649-67 (2008)


Article DOI: 10.1021/jm701097z
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50376014
PNG
(CHEMBL270978)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)Nc3cc(C)no3)c2cc1OC
Show InChI InChI=1S/C26H21N3O5/c1-15-11-25(34-29-15)28-26(30)19-6-4-5-16-12-17(7-8-18(16)19)33-22-9-10-27-21-14-24(32-3)23(31-2)13-20(21)22/h4-14H,1-3H3,(H,28,30)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


J Med Chem 51: 1649-67 (2008)


Article DOI: 10.1021/jm701097z
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50376019
PNG
(CHEMBL429585)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3F)C(=O)Nc3ccc(Cl)cc3)c2cc1OC
Show InChI InChI=1S/C28H20ClFN2O4/c1-34-25-14-21-22(15-26(25)35-2)31-13-12-23(21)36-24-11-10-18-19(27(24)30)4-3-5-20(18)28(33)32-17-8-6-16(29)7-9-17/h3-15H,1-2H3,(H,32,33)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


J Med Chem 51: 1649-67 (2008)


Article DOI: 10.1021/jm701097z
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50236362
PNG
(CHEMBL429743 | N-(4-chlorophenyl)-6-(6,7-dimethoxy...)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)Nc3ccc(Cl)cc3)c2cc1OC
Show InChI InChI=1S/C28H21ClN2O4/c1-33-26-15-23-24(16-27(26)34-2)30-13-12-25(23)35-20-10-11-21-17(14-20)4-3-5-22(21)28(32)31-19-8-6-18(29)7-9-19/h3-16H,1-2H3,(H,31,32)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


J Med Chem 51: 1649-67 (2008)


Article DOI: 10.1021/jm701097z
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%