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PubMed code 16460933

Compile data set for download or QSAR
Found 19 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


(Homo sapiens (Human))
BDBM50182149
PNG
(4-((4-bromo-1-methyl-1H-indol-3-yl)methylene)-3-(p...)
Show SMILES Cn1cc(\C=C2/C(=O)NN=C2c2cnccn2)c2c(Br)cccc12 |c:9|
Show InChI InChI=1S/C17H12BrN5O/c1-23-9-10(15-12(18)3-2-4-14(15)23)7-11-16(21-22-17(11)24)13-8-19-5-6-20-13/h2-9H,1H3,(H,22,24)/b11-7-
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n/an/a 6n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 16: 2158-62 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.063
BindingDB Entry DOI: 10.7270/Q25T3K2H
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50182139
PNG
(4-((4-chloro-1-methyl-1H-indol-3-yl)methylene)-3-(...)
Show SMILES Cn1cc(\C=C2/C(=O)NN=C2c2cnccn2)c2c(Cl)cccc12 |c:9|
Show InChI InChI=1S/C17H12ClN5O/c1-23-9-10(15-12(18)3-2-4-14(15)23)7-11-16(21-22-17(11)24)13-8-19-5-6-20-13/h2-9H,1H3,(H,22,24)/b11-7-
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n/an/a 9n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 16: 2158-62 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.063
BindingDB Entry DOI: 10.7270/Q25T3K2H
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50182144
PNG
(4-((5-chloro-1-methyl-1H-indol-3-yl)methylene)-3-(...)
Show SMILES Cn1cc(\C=C2/C(=O)NN=C2c2cnccn2)c2cc(Cl)ccc12 |c:9|
Show InChI InChI=1S/C17H12ClN5O/c1-23-9-10(12-7-11(18)2-3-15(12)23)6-13-16(21-22-17(13)24)14-8-19-4-5-20-14/h2-9H,1H3,(H,22,24)/b13-6-
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n/an/a 10n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 16: 2158-62 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.063
BindingDB Entry DOI: 10.7270/Q25T3K2H
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50182152
PNG
(4-((5-methyl-5H-[1,3]dioxolo[4,5-f]indol-7-yl)meth...)
Show SMILES Cn1cc(\C=C2/C(=O)NN=C2c2cnccn2)c2cc3OCOc3cc12 |c:9|
Show InChI InChI=1S/C18H13N5O3/c1-23-8-10(11-5-15-16(6-14(11)23)26-9-25-15)4-12-17(21-22-18(12)24)13-7-19-2-3-20-13/h2-8H,9H2,1H3,(H,22,24)/b12-4-
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n/an/a 17n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 16: 2158-62 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.063
BindingDB Entry DOI: 10.7270/Q25T3K2H
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50182141
PNG
(4-((4-fluoro-1-methyl-1H-indol-3-yl)methylene)-3-(...)
Show SMILES Cn1cc(\C=C2/C(=O)NN=C2c2cnccn2)c2c(F)cccc12 |c:9|
Show InChI InChI=1S/C17H12FN5O/c1-23-9-10(15-12(18)3-2-4-14(15)23)7-11-16(21-22-17(11)24)13-8-19-5-6-20-13/h2-9H,1H3,(H,22,24)/b11-7-
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n/an/a 17n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 16: 2158-62 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.063
BindingDB Entry DOI: 10.7270/Q25T3K2H
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50182151
PNG
(4-((5-fluoro-1-methyl-1H-indol-3-yl)methylene)-3-(...)
Show SMILES Cn1cc(\C=C2/C(=O)NN=C2c2cnccn2)c2cc(F)ccc12 |c:9|
Show InChI InChI=1S/C17H12FN5O/c1-23-9-10(12-7-11(18)2-3-15(12)23)6-13-16(21-22-17(13)24)14-8-19-4-5-20-14/h2-9H,1H3,(H,22,24)/b13-6-
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n/an/a 23n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 16: 2158-62 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.063
BindingDB Entry DOI: 10.7270/Q25T3K2H
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50182146
PNG
(4-((4-methoxy-1-methyl-1H-indol-3-yl)methylene)-3-...)
Show SMILES COc1cccc2n(C)cc(\C=C3/C(=O)NN=C3c3cnccn3)c12 |c:16|
Show InChI InChI=1S/C18H15N5O2/c1-23-10-11(16-14(23)4-3-5-15(16)25-2)8-12-17(21-22-18(12)24)13-9-19-6-7-20-13/h3-10H,1-2H3,(H,22,24)/b12-8-
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n/an/a 26n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 16: 2158-62 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.063
BindingDB Entry DOI: 10.7270/Q25T3K2H
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50182140
PNG
(4-((5-methoxy-1-methyl-1H-indol-3-yl)methylene)-3-...)
Show SMILES COc1ccc2n(C)cc(\C=C3/C(=O)NN=C3c3cnccn3)c2c1 |c:15|
Show InChI InChI=1S/C18H15N5O2/c1-23-10-11(13-8-12(25-2)3-4-16(13)23)7-14-17(21-22-18(14)24)15-9-19-5-6-20-15/h3-10H,1-2H3,(H,22,24)/b14-7-
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n/an/a 30n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 16: 2158-62 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.063
BindingDB Entry DOI: 10.7270/Q25T3K2H
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50182142
PNG
(4-((5-methyl-5H-[1,3]dioxolo[4,5-f]indol-7-yl)meth...)
Show SMILES Cn1cc(\C=C2/C(=O)NN=C2c2nccs2)c2cc3OCOc3cc12 |c:9|
Show InChI InChI=1S/C17H12N4O3S/c1-21-7-9(10-5-13-14(6-12(10)21)24-8-23-13)4-11-15(19-20-16(11)22)17-18-2-3-25-17/h2-7H,8H2,1H3,(H,20,22)/b11-4-
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n/an/a 32n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 16: 2158-62 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.063
BindingDB Entry DOI: 10.7270/Q25T3K2H
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50155151
PNG
(4-((1-methyl-1H-indol-3-yl)methylene)-3-(pyrazin-2...)
Show SMILES Cn1cc(\C=C2/C(=O)NN=C2c2cnccn2)c2ccccc12 |c:9|
Show InChI InChI=1S/C17H13N5O/c1-22-10-11(12-4-2-3-5-15(12)22)8-13-16(20-21-17(13)23)14-9-18-6-7-19-14/h2-10H,1H3,(H,21,23)/b13-8-
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n/an/a 37n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 16: 2158-62 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.063
BindingDB Entry DOI: 10.7270/Q25T3K2H
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50182137
PNG
(4-((3,5-dimethyl-1H-pyrrol-2-yl)methylene)-3-(pyra...)
Show SMILES Cc1cc(C)c(\C=C2/C(=O)NN=C2c2cnccn2)[nH]1 |c:11|
Show InChI InChI=1S/C14H13N5O/c1-8-5-9(2)17-11(8)6-10-13(18-19-14(10)20)12-7-15-3-4-16-12/h3-7,17H,1-2H3,(H,19,20)/b10-6-
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n/an/a 43n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 16: 2158-62 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.063
BindingDB Entry DOI: 10.7270/Q25T3K2H
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50182148
PNG
(4-((4-bromo-1-methyl-1H-indol-3-yl)methylene)-3-(t...)
Show SMILES Cn1cc(\C=C2/C(=O)NN=C2c2nccs2)c2c(Br)cccc12 |c:9|
Show InChI InChI=1S/C16H11BrN4OS/c1-21-8-9(13-11(17)3-2-4-12(13)21)7-10-14(19-20-15(10)22)16-18-5-6-23-16/h2-8H,1H3,(H,20,22)/b10-7-
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n/an/a 45n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 16: 2158-62 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.063
BindingDB Entry DOI: 10.7270/Q25T3K2H
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50182136
PNG
(4-((1-methyl-1H-indol-3-yl)methylene)-3-(thiazol-2...)
Show SMILES Cn1cc(\C=C2/C(=O)NN=C2c2nccs2)c2ccccc12 |c:9|
Show InChI InChI=1S/C16H12N4OS/c1-20-9-10(11-4-2-3-5-13(11)20)8-12-14(18-19-15(12)21)16-17-6-7-22-16/h2-9H,1H3,(H,19,21)/b12-8-
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n/an/a 46n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 16: 2158-62 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.063
BindingDB Entry DOI: 10.7270/Q25T3K2H
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50182150
PNG
(4-((5-fluoro-1-methyl-1H-indol-3-yl)methylene)-3-(...)
Show SMILES Cn1cc(\C=C2/C(=O)NN=C2c2nccs2)c2cc(F)ccc12 |c:9|
Show InChI InChI=1S/C16H11FN4OS/c1-21-8-9(11-7-10(17)2-3-13(11)21)6-12-14(19-20-15(12)22)16-18-4-5-23-16/h2-8H,1H3,(H,20,22)/b12-6-
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n/an/a 49n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 16: 2158-62 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.063
BindingDB Entry DOI: 10.7270/Q25T3K2H
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50182138
PNG
(4-((5-chloro-1-methyl-1H-indol-3-yl)methylene)-3-(...)
Show SMILES Cn1cc(\C=C2/C(=O)NN=C2c2nccs2)c2cc(Cl)ccc12 |c:9|
Show InChI InChI=1S/C16H11ClN4OS/c1-21-8-9(11-7-10(17)2-3-13(11)21)6-12-14(19-20-15(12)22)16-18-4-5-23-16/h2-8H,1H3,(H,20,22)/b12-6-
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n/an/a 59n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 16: 2158-62 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.063
BindingDB Entry DOI: 10.7270/Q25T3K2H
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50182143
PNG
(4-((3,5-dimethyl-1H-pyrrol-2-yl)methylene)-3-(thia...)
Show SMILES Cc1cc(C)c(\C=C2/C(=O)NN=C2c2nccs2)[nH]1 |c:11|
Show InChI InChI=1S/C13H12N4OS/c1-7-5-8(2)15-10(7)6-9-11(16-17-12(9)18)13-14-3-4-19-13/h3-6,15H,1-2H3,(H,17,18)/b9-6-
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n/an/a 63n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 16: 2158-62 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.063
BindingDB Entry DOI: 10.7270/Q25T3K2H
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50182145
PNG
(4-((3,5-dimethyl-1H-pyrrol-2-yl)methylene)-3-(fura...)
Show SMILES Cc1cc(C)c(\C=C2/C(=O)NN=C2c2ccoc2)[nH]1 |c:11|
Show InChI InChI=1S/C14H13N3O2/c1-8-5-9(2)15-12(8)6-11-13(16-17-14(11)18)10-3-4-19-7-10/h3-7,15H,1-2H3,(H,17,18)/b11-6-
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n/an/a 157n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 16: 2158-62 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.063
BindingDB Entry DOI: 10.7270/Q25T3K2H
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50182147
PNG
(4-((3,5-dimethyl-1H-pyrrol-2-yl)methylene)-3-pheny...)
Show SMILES Cc1cc(C)c(\C=C2/C(=O)NN=C2c2ccccc2)[nH]1 |c:11|
Show InChI InChI=1S/C16H15N3O/c1-10-8-11(2)17-14(10)9-13-15(18-19-16(13)20)12-6-4-3-5-7-12/h3-9,17H,1-2H3,(H,19,20)/b13-9-
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n/an/a 2.70E+3n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 16: 2158-62 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.063
BindingDB Entry DOI: 10.7270/Q25T3K2H
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))
BDBM50182142
PNG
(4-((5-methyl-5H-[1,3]dioxolo[4,5-f]indol-7-yl)meth...)
Show SMILES Cn1cc(\C=C2/C(=O)NN=C2c2nccs2)c2cc3OCOc3cc12 |c:9|
Show InChI InChI=1S/C17H12N4O3S/c1-21-7-9(10-5-13-14(6-12(10)21)24-8-23-13)4-11-15(19-20-16(11)22)17-18-2-3-25-17/h2-7H,8H2,1H3,(H,20,22)/b11-4-
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n/an/a>1.00E+5n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK1/CyclinB1


Bioorg Med Chem Lett 16: 2158-62 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.063
BindingDB Entry DOI: 10.7270/Q25T3K2H
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%