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PubMed code 15482913

Compile data set for download or QSAR
Found 16 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))
BDBM50155144
PNG
(4-(3-Phenyl-1H-indol-2-ylmethylene)-5-pyrazin-2-yl...)
Show SMILES O=C1NN=C(\C1=C\c1[nH]c2ccccc2c1-c1ccccc1)c1cnccn1 |c:3|
Show InChI InChI=1S/C22H15N5O/c28-22-16(21(26-27-22)19-13-23-10-11-24-19)12-18-20(14-6-2-1-3-7-14)15-8-4-5-9-17(15)25-18/h1-13,25H,(H,27,28)/b16-12-
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n/an/a 20n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of Vascular endothelial growth factor receptor 2(KDR) without DTT(dithiothreitol)


Bioorg Med Chem Lett 14: 5503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.007
BindingDB Entry DOI: 10.7270/Q2NK3DJN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50155149
PNG
(4-(3-Methyl-1H-indol-2-ylmethylene)-5-pyrazin-2-yl...)
Show SMILES Cc1c(\C=C2/C(=O)NN=C2c2cnccn2)[nH]c2ccccc12 |c:8|
Show InChI InChI=1S/C17H13N5O/c1-10-11-4-2-3-5-13(11)20-14(10)8-12-16(21-22-17(12)23)15-9-18-6-7-19-15/h2-9,20H,1H3,(H,22,23)/b12-8-
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n/an/a 60n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of Vascular endothelial growth factor receptor 2(KDR) without DTT(dithiothreitol)


Bioorg Med Chem Lett 14: 5503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.007
BindingDB Entry DOI: 10.7270/Q2NK3DJN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50155148
PNG
((Z)-4-((4-(2-(diethylamino)ethyl)-3,5-dimethyl-1H-...)
Show SMILES CCN(CC)CCc1c(C)[nH]c(\C=C2/C(=O)NN=C2c2cnccn2)c1C |c:17|
Show InChI InChI=1S/C20H26N6O/c1-5-26(6-2)10-7-15-13(3)17(23-14(15)4)11-16-19(24-25-20(16)27)18-12-21-8-9-22-18/h8-9,11-12,23H,5-7,10H2,1-4H3,(H,25,27)/b16-11-
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n/an/a 80n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of Vascular endothelial growth factor receptor 2(KDR) with DTT(dithiothreitol)


Bioorg Med Chem Lett 14: 5503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.007
BindingDB Entry DOI: 10.7270/Q2NK3DJN
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 100n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of Vascular endothelial growth factor receptor 2(KDR) without DTT(dithiothreitol)


Bioorg Med Chem Lett 14: 5503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.007
BindingDB Entry DOI: 10.7270/Q2NK3DJN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50155149
PNG
(4-(3-Methyl-1H-indol-2-ylmethylene)-5-pyrazin-2-yl...)
Show SMILES Cc1c(\C=C2/C(=O)NN=C2c2cnccn2)[nH]c2ccccc12 |c:8|
Show InChI InChI=1S/C17H13N5O/c1-10-11-4-2-3-5-13(11)20-14(10)8-12-16(21-22-17(12)23)15-9-18-6-7-19-15/h2-9,20H,1H3,(H,22,23)/b12-8-
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n/an/a 140n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of Vascular endothelial growth factor receptor 2(KDR) with DTT(dithiothreitol)


Bioorg Med Chem Lett 14: 5503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.007
BindingDB Entry DOI: 10.7270/Q2NK3DJN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50155146
PNG
(2-[6-(2-Morpholin-4-yl-ethoxy)-1H-indol-3-ylmethyl...)
Show SMILES O=C1Nc2ccccc2S\C1=C/c1c[nH]c2cc(OCCN3CCOCC3)ccc12
Show InChI InChI=1S/C23H23N3O3S/c27-23-22(30-21-4-2-1-3-19(21)25-23)13-16-15-24-20-14-17(5-6-18(16)20)29-12-9-26-7-10-28-11-8-26/h1-6,13-15,24H,7-12H2,(H,25,27)/b22-13-
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n/an/a 160n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of Vascular endothelial growth factor receptor 2(KDR) with DTT(dithiothreitol)


Bioorg Med Chem Lett 14: 5503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.007
BindingDB Entry DOI: 10.7270/Q2NK3DJN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50155147
PNG
(2-[7-([1,4'']Bipiperidinyl-1''-carbonyl)-1H-indol-...)
Show SMILES O=C(N1CCC(CC1)N1CCCCC1)c1cccc2c(\C=C3/Sc4ccccc4NC3=O)c[nH]c12
Show InChI InChI=1S/C28H30N4O2S/c33-27-25(35-24-10-3-2-9-23(24)30-27)17-19-18-29-26-21(19)7-6-8-22(26)28(34)32-15-11-20(12-16-32)31-13-4-1-5-14-31/h2-3,6-10,17-18,20,29H,1,4-5,11-16H2,(H,30,33)/b25-17-
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n/an/a 170n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of Vascular endothelial growth factor receptor 2(KDR) with DTT(dithiothreitol)


Bioorg Med Chem Lett 14: 5503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.007
BindingDB Entry DOI: 10.7270/Q2NK3DJN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50155148
PNG
((Z)-4-((4-(2-(diethylamino)ethyl)-3,5-dimethyl-1H-...)
Show SMILES CCN(CC)CCc1c(C)[nH]c(\C=C2/C(=O)NN=C2c2cnccn2)c1C |c:17|
Show InChI InChI=1S/C20H26N6O/c1-5-26(6-2)10-7-15-13(3)17(23-14(15)4)11-16-19(24-25-20(16)27)18-12-21-8-9-22-18/h8-9,11-12,23H,5-7,10H2,1-4H3,(H,25,27)/b16-11-
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n/an/a 210n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of Vascular endothelial growth factor receptor 2(KDR) without DTT(dithiothreitol)


Bioorg Med Chem Lett 14: 5503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.007
BindingDB Entry DOI: 10.7270/Q2NK3DJN
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 230n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of Vascular endothelial growth factor receptor 2(KDR) with DTT(dithiothreitol)


Bioorg Med Chem Lett 14: 5503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.007
BindingDB Entry DOI: 10.7270/Q2NK3DJN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50155146
PNG
(2-[6-(2-Morpholin-4-yl-ethoxy)-1H-indol-3-ylmethyl...)
Show SMILES O=C1Nc2ccccc2S\C1=C/c1c[nH]c2cc(OCCN3CCOCC3)ccc12
Show InChI InChI=1S/C23H23N3O3S/c27-23-22(30-21-4-2-1-3-19(21)25-23)13-16-15-24-20-14-17(5-6-18(16)20)29-12-9-26-7-10-28-11-8-26/h1-6,13-15,24H,7-12H2,(H,25,27)/b22-13-
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n/an/a 290n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of Vascular endothelial growth factor receptor 2(KDR) without DTT(dithiothreitol)


Bioorg Med Chem Lett 14: 5503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.007
BindingDB Entry DOI: 10.7270/Q2NK3DJN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50155145
PNG
(4-(1H-Indol-2-ylmethylene)-5-pyrazin-2-yl-2,4-dihy...)
Show SMILES O=C1NN=C(\C1=C\c1cc2ccccc2[nH]1)c1cnccn1 |c:3|
Show InChI InChI=1S/C16H11N5O/c22-16-12(15(20-21-16)14-9-17-5-6-18-14)8-11-7-10-3-1-2-4-13(10)19-11/h1-9,19H,(H,21,22)/b12-8-
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n/an/a 410n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of Vascular endothelial growth factor receptor 2(KDR) without DTT(dithiothreitol)


Bioorg Med Chem Lett 14: 5503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.007
BindingDB Entry DOI: 10.7270/Q2NK3DJN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50155144
PNG
(4-(3-Phenyl-1H-indol-2-ylmethylene)-5-pyrazin-2-yl...)
Show SMILES O=C1NN=C(\C1=C\c1[nH]c2ccccc2c1-c1ccccc1)c1cnccn1 |c:3|
Show InChI InChI=1S/C22H15N5O/c28-22-16(21(26-27-22)19-13-23-10-11-24-19)12-18-20(14-6-2-1-3-7-14)15-8-4-5-9-17(15)25-18/h1-13,25H,(H,27,28)/b16-12-
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n/an/a 470n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of Vascular endothelial growth factor receptor 2(KDR) with DTT(dithiothreitol)


Bioorg Med Chem Lett 14: 5503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.007
BindingDB Entry DOI: 10.7270/Q2NK3DJN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50155147
PNG
(2-[7-([1,4'']Bipiperidinyl-1''-carbonyl)-1H-indol-...)
Show SMILES O=C(N1CCC(CC1)N1CCCCC1)c1cccc2c(\C=C3/Sc4ccccc4NC3=O)c[nH]c12
Show InChI InChI=1S/C28H30N4O2S/c33-27-25(35-24-10-3-2-9-23(24)30-27)17-19-18-29-26-21(19)7-6-8-22(26)28(34)32-15-11-20(12-16-32)31-13-4-1-5-14-31/h2-3,6-10,17-18,20,29H,1,4-5,11-16H2,(H,30,33)/b25-17-
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n/an/a 720n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of Vascular endothelial growth factor receptor 2(KDR) without DTT(dithiothreitol)


Bioorg Med Chem Lett 14: 5503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.007
BindingDB Entry DOI: 10.7270/Q2NK3DJN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50155150
PNG
(5-Cyclopropyl-4-[4-(2-diethylamino-ethyl)-3,5-dime...)
Show SMILES CCN(CC)CCc1c(C)[nH]c(C=c2c(=O)[nH][nH]c2=C2CC2)c1C |w:12.11,(6.74,1.52,;6.25,2.98,;4.76,3.31,;4.27,4.76,;2.76,5.08,;3.73,2.15,;2.22,2.47,;1.2,1.32,;1.68,-.12,;3.14,-.61,;.44,-1.03,;-.82,-.15,;-2.28,-.63,;-2.59,-2.12,;-1.56,-3.28,;-.02,-3.11,;-2.33,-4.61,;-3.84,-4.29,;-4.01,-2.76,;-5.34,-1.99,;-6.11,-.68,;-6.88,-2.01,;-.34,1.32,;-1.24,2.57,)|
Show InChI InChI=1S/C19H28N4O/c1-5-23(6-2)10-9-15-12(3)17(20-13(15)4)11-16-18(14-7-8-14)21-22-19(16)24/h11,20-21H,5-10H2,1-4H3,(H,22,24)
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n/an/a 840n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of Vascular endothelial growth factor receptor 2(KDR) with DTT(dithiothreitol)


Bioorg Med Chem Lett 14: 5503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.007
BindingDB Entry DOI: 10.7270/Q2NK3DJN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50155150
PNG
(5-Cyclopropyl-4-[4-(2-diethylamino-ethyl)-3,5-dime...)
Show SMILES CCN(CC)CCc1c(C)[nH]c(C=c2c(=O)[nH][nH]c2=C2CC2)c1C |w:12.11,(6.74,1.52,;6.25,2.98,;4.76,3.31,;4.27,4.76,;2.76,5.08,;3.73,2.15,;2.22,2.47,;1.2,1.32,;1.68,-.12,;3.14,-.61,;.44,-1.03,;-.82,-.15,;-2.28,-.63,;-2.59,-2.12,;-1.56,-3.28,;-.02,-3.11,;-2.33,-4.61,;-3.84,-4.29,;-4.01,-2.76,;-5.34,-1.99,;-6.11,-.68,;-6.88,-2.01,;-.34,1.32,;-1.24,2.57,)|
Show InChI InChI=1S/C19H28N4O/c1-5-23(6-2)10-9-15-12(3)17(20-13(15)4)11-16-18(14-7-8-14)21-22-19(16)24/h11,20-21H,5-10H2,1-4H3,(H,22,24)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of Vascular endothelial growth factor receptor 2(KDR) without DTT(dithiothreitol)


Bioorg Med Chem Lett 14: 5503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.007
BindingDB Entry DOI: 10.7270/Q2NK3DJN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50155145
PNG
(4-(1H-Indol-2-ylmethylene)-5-pyrazin-2-yl-2,4-dihy...)
Show SMILES O=C1NN=C(\C1=C\c1cc2ccccc2[nH]1)c1cnccn1 |c:3|
Show InChI InChI=1S/C16H11N5O/c22-16-12(15(20-21-16)14-9-17-5-6-18-14)8-11-7-10-3-1-2-4-13(10)19-11/h1-9,19H,(H,21,22)/b12-8-
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n/an/a 4.00E+4n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of Vascular endothelial growth factor receptor 2(KDR) with DTT(dithiothreitol)


Bioorg Med Chem Lett 14: 5503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.007
BindingDB Entry DOI: 10.7270/Q2NK3DJN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%