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PubMed code 12729639

Compile data set for download or QSAR
Found 20 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))
BDBM5384
PNG
(2,4-Disubstituted Pyrimidine 2h | N-(3,5-dimethoxy...)
Show SMILES COc1cc(Nc2nccc(n2)-n2ccnc2-c2ccccc2)cc(OC)c1
Show InChI InChI=1S/C21H19N5O2/c1-27-17-12-16(13-18(14-17)28-2)24-21-23-9-8-19(25-21)26-11-10-22-20(26)15-6-4-3-5-7-15/h3-14H,1-2H3,(H,23,24,25)
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Article
PubMed
n/an/a 5n/an/an/an/a7.422



Merck Research Laboratories



Assay Description
Activated KDR was incubated with 25 uM/10 uCi of [gamma-33P] ATP, poly-Glu/Tyr, and inhibitors in kinase buffer for 15 min at 22 °C. The reactio...


Bioorg Med Chem Lett 13: 1673-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00244-0
BindingDB Entry DOI: 10.7270/Q2X0657G
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5389
PNG
(2,4-Disubstituted Pyrimidine 3a | N-[3-methyl-5-(t...)
Show SMILES Cc1cc(Nc2nccc(n2)-n2ccnc2-c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C21H16F3N5/c1-14-11-16(21(22,23)24)13-17(12-14)27-20-26-8-7-18(28-20)29-10-9-25-19(29)15-5-3-2-4-6-15/h2-13H,1H3,(H,26,27,28)
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n/an/a 5n/an/an/an/a7.422



Merck Research Laboratories



Assay Description
Activated KDR was incubated with 25 uM/10 uCi of [gamma-33P] ATP, poly-Glu/Tyr, and inhibitors in kinase buffer for 15 min at 22 °C. The reactio...


Bioorg Med Chem Lett 13: 1673-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00244-0
BindingDB Entry DOI: 10.7270/Q2X0657G
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5380
PNG
(2,4-Disubstituted Pyrimidine 2d | N-(3,5-dimethylp...)
Show SMILES Cc1cc(C)cc(Nc2nccc(n2)-n2ccnc2-c2ccccc2)c1
Show InChI InChI=1S/C21H19N5/c1-15-12-16(2)14-18(13-15)24-21-23-9-8-19(25-21)26-11-10-22-20(26)17-6-4-3-5-7-17/h3-14H,1-2H3,(H,23,24,25)
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PubMed
n/an/a 6n/an/an/an/a7.422



Merck Research Laboratories



Assay Description
Activated KDR was incubated with 25 uM/10 uCi of [gamma-33P] ATP, poly-Glu/Tyr, and inhibitors in kinase buffer for 15 min at 22 °C. The reactio...


Bioorg Med Chem Lett 13: 1673-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00244-0
BindingDB Entry DOI: 10.7270/Q2X0657G
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5391
PNG
((3-methyl-5-{[4-(2-phenyl-1H-imidazol-1-yl)pyrimid...)
Show SMILES Cc1cc(CO)cc(Nc2nccc(n2)-n2ccnc2-c2ccccc2)c1
Show InChI InChI=1S/C21H19N5O/c1-15-11-16(14-27)13-18(12-15)24-21-23-8-7-19(25-21)26-10-9-22-20(26)17-5-3-2-4-6-17/h2-13,27H,14H2,1H3,(H,23,24,25)
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PubMed
n/an/a 9n/an/an/an/a7.422



Merck Research Laboratories



Assay Description
Activated KDR was incubated with 25 uM/10 uCi of [gamma-33P] ATP, poly-Glu/Tyr, and inhibitors in kinase buffer for 15 min at 22 °C. The reactio...


Bioorg Med Chem Lett 13: 1673-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00244-0
BindingDB Entry DOI: 10.7270/Q2X0657G
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5387
PNG
(2,4-Disubstituted Pyrimidine 2k | 4-(2-phenyl-1H-i...)
Show SMILES FC(F)(F)c1cccc(Nc2nccc(n2)-n2ccnc2-c2ccccc2)c1
Show InChI InChI=1S/C20H14F3N5/c21-20(22,23)15-7-4-8-16(13-15)26-19-25-10-9-17(27-19)28-12-11-24-18(28)14-5-2-1-3-6-14/h1-13H,(H,25,26,27)
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PubMed
n/an/a 10n/an/an/an/a7.422



Merck Research Laboratories



Assay Description
Activated KDR was incubated with 25 uM/10 uCi of [gamma-33P] ATP, poly-Glu/Tyr, and inhibitors in kinase buffer for 15 min at 22 °C. The reactio...


Bioorg Med Chem Lett 13: 1673-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00244-0
BindingDB Entry DOI: 10.7270/Q2X0657G
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5378
PNG
(2,4-Disubstituted Pyrimidine 2b | N-(3-methylpheny...)
Show SMILES Cc1cccc(Nc2nccc(n2)-n2ccnc2-c2ccccc2)c1
Show InChI InChI=1S/C20H17N5/c1-15-6-5-9-17(14-15)23-20-22-11-10-18(24-20)25-13-12-21-19(25)16-7-3-2-4-8-16/h2-14H,1H3,(H,22,23,24)
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n/an/a 18n/an/an/an/a7.422



Merck Research Laboratories



Assay Description
Activated KDR was incubated with 25 uM/10 uCi of [gamma-33P] ATP, poly-Glu/Tyr, and inhibitors in kinase buffer for 15 min at 22 °C. The reactio...


Bioorg Med Chem Lett 13: 1673-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00244-0
BindingDB Entry DOI: 10.7270/Q2X0657G
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5382
PNG
(2,4-Disubstituted Pyrimidine 2f | N-(3-methoxyphen...)
Show SMILES COc1cccc(Nc2nccc(n2)-n2ccnc2-c2ccccc2)c1
Show InChI InChI=1S/C20H17N5O/c1-26-17-9-5-8-16(14-17)23-20-22-11-10-18(24-20)25-13-12-21-19(25)15-6-3-2-4-7-15/h2-14H,1H3,(H,22,23,24)
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n/an/a 20n/an/an/an/a7.422



Merck Research Laboratories



Assay Description
Activated KDR was incubated with 25 uM/10 uCi of [gamma-33P] ATP, poly-Glu/Tyr, and inhibitors in kinase buffer for 15 min at 22 °C. The reactio...


Bioorg Med Chem Lett 13: 1673-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00244-0
BindingDB Entry DOI: 10.7270/Q2X0657G
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5385
PNG
(2,4-Disubstituted Pyrimidine 2i | N-(3-chloropheny...)
Show SMILES Clc1cccc(Nc2nccc(n2)-n2ccnc2-c2ccccc2)c1
Show InChI InChI=1S/C19H14ClN5/c20-15-7-4-8-16(13-15)23-19-22-10-9-17(24-19)25-12-11-21-18(25)14-5-2-1-3-6-14/h1-13H,(H,22,23,24)
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n/an/a 25n/an/an/an/a7.422



Merck Research Laboratories



Assay Description
Activated KDR was incubated with 25 uM/10 uCi of [gamma-33P] ATP, poly-Glu/Tyr, and inhibitors in kinase buffer for 15 min at 22 °C. The reactio...


Bioorg Med Chem Lett 13: 1673-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00244-0
BindingDB Entry DOI: 10.7270/Q2X0657G
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5386
PNG
(2,4-Disubstituted Pyrimidine 2j | N-(3,5-dichlorop...)
Show SMILES Clc1cc(Cl)cc(Nc2nccc(n2)-n2ccnc2-c2ccccc2)c1
Show InChI InChI=1S/C19H13Cl2N5/c20-14-10-15(21)12-16(11-14)24-19-23-7-6-17(25-19)26-9-8-22-18(26)13-4-2-1-3-5-13/h1-12H,(H,23,24,25)
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n/an/a 26n/an/an/an/a7.422



Merck Research Laboratories



Assay Description
Activated KDR was incubated with 25 uM/10 uCi of [gamma-33P] ATP, poly-Glu/Tyr, and inhibitors in kinase buffer for 15 min at 22 °C. The reactio...


Bioorg Med Chem Lett 13: 1673-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00244-0
BindingDB Entry DOI: 10.7270/Q2X0657G
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5392
PNG
(1-{4-[(3-methyl-5-{[4-(2-phenyl-1H-imidazol-1-yl)p...)
Show SMILES CC(=O)N1CCN(Cc2cc(C)cc(Nc3nccc(n3)-n3ccnc3-c3ccccc3)c2)CC1
Show InChI InChI=1S/C27H29N7O/c1-20-16-22(19-32-12-14-33(15-13-32)21(2)35)18-24(17-20)30-27-29-9-8-25(31-27)34-11-10-28-26(34)23-6-4-3-5-7-23/h3-11,16-18H,12-15,19H2,1-2H3,(H,29,30,31)
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n/an/a 32n/an/an/an/a7.422



Merck Research Laboratories



Assay Description
Activated KDR was incubated with 25 uM/10 uCi of [gamma-33P] ATP, poly-Glu/Tyr, and inhibitors in kinase buffer for 15 min at 22 °C. The reactio...


Bioorg Med Chem Lett 13: 1673-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00244-0
BindingDB Entry DOI: 10.7270/Q2X0657G
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5388
PNG
(2,4-Disubstituted Pyrimidine 2l | N-[3,5-bis(trifl...)
Show SMILES FC(F)(F)c1cc(Nc2nccc(n2)-n2ccnc2-c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C21H13F6N5/c22-20(23,24)14-10-15(21(25,26)27)12-16(11-14)30-19-29-7-6-17(31-19)32-9-8-28-18(32)13-4-2-1-3-5-13/h1-12H,(H,29,30,31)
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PubMed
n/an/a 77n/an/an/an/a7.422



Merck Research Laboratories



Assay Description
Activated KDR was incubated with 25 uM/10 uCi of [gamma-33P] ATP, poly-Glu/Tyr, and inhibitors in kinase buffer for 15 min at 22 °C. The reactio...


Bioorg Med Chem Lett 13: 1673-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00244-0
BindingDB Entry DOI: 10.7270/Q2X0657G
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5395
PNG
(2,4-Disubstituted Pyrimidine 4c | 4-(2-phenyl-1H-i...)
Show SMILES N(c1ccncc1)c1nccc(n1)-n1ccnc1-c1ccccc1
Show InChI InChI=1S/C18H14N6/c1-2-4-14(5-3-1)17-20-12-13-24(17)16-8-11-21-18(23-16)22-15-6-9-19-10-7-15/h1-13H,(H,19,21,22,23)
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n/an/a 273n/an/an/an/a7.422



Merck Research Laboratories



Assay Description
Activated KDR was incubated with 25 uM/10 uCi of [gamma-33P] ATP, poly-Glu/Tyr, and inhibitors in kinase buffer for 15 min at 22 °C. The reactio...


Bioorg Med Chem Lett 13: 1673-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00244-0
BindingDB Entry DOI: 10.7270/Q2X0657G
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5379
PNG
(2,4-Disubstituted Pyrimidine 2c | N-(4-methylpheny...)
Show SMILES Cc1ccc(Nc2nccc(n2)-n2ccnc2-c2ccccc2)cc1
Show InChI InChI=1S/C20H17N5/c1-15-7-9-17(10-8-15)23-20-22-12-11-18(24-20)25-14-13-21-19(25)16-5-3-2-4-6-16/h2-14H,1H3,(H,22,23,24)
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n/an/a 279n/an/an/an/a7.422



Merck Research Laboratories



Assay Description
Activated KDR was incubated with 25 uM/10 uCi of [gamma-33P] ATP, poly-Glu/Tyr, and inhibitors in kinase buffer for 15 min at 22 °C. The reactio...


Bioorg Med Chem Lett 13: 1673-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00244-0
BindingDB Entry DOI: 10.7270/Q2X0657G
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5381
PNG
(2,4-Disubstituted Pyrimidine 2e | N-(2-methoxyphen...)
Show SMILES COc1ccccc1Nc1nccc(n1)-n1ccnc1-c1ccccc1
Show InChI InChI=1S/C20H17N5O/c1-26-17-10-6-5-9-16(17)23-20-22-12-11-18(24-20)25-14-13-21-19(25)15-7-3-2-4-8-15/h2-14H,1H3,(H,22,23,24)
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PubMed
n/an/a 289n/an/an/an/a7.422



Merck Research Laboratories



Assay Description
Activated KDR was incubated with 25 uM/10 uCi of [gamma-33P] ATP, poly-Glu/Tyr, and inhibitors in kinase buffer for 15 min at 22 °C. The reactio...


Bioorg Med Chem Lett 13: 1673-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00244-0
BindingDB Entry DOI: 10.7270/Q2X0657G
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5394
PNG
(2,4-Disubstituted Pyrimidine 4b | 4-(2-phenyl-1H-i...)
Show SMILES N(c1cccnc1)c1nccc(n1)-n1ccnc1-c1ccccc1
Show InChI InChI=1S/C18H14N6/c1-2-5-14(6-3-1)17-20-11-12-24(17)16-8-10-21-18(23-16)22-15-7-4-9-19-13-15/h1-13H,(H,21,22,23)
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n/an/a 340n/an/an/an/a7.422



Merck Research Laboratories



Assay Description
Activated KDR was incubated with 25 uM/10 uCi of [gamma-33P] ATP, poly-Glu/Tyr, and inhibitors in kinase buffer for 15 min at 22 °C. The reactio...


Bioorg Med Chem Lett 13: 1673-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00244-0
BindingDB Entry DOI: 10.7270/Q2X0657G
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5383
PNG
(2,4-Disubstituted Pyrimidine 2g | N-(4-methoxyphen...)
Show SMILES COc1ccc(Nc2nccc(n2)-n2ccnc2-c2ccccc2)cc1
Show InChI InChI=1S/C20H17N5O/c1-26-17-9-7-16(8-10-17)23-20-22-12-11-18(24-20)25-14-13-21-19(25)15-5-3-2-4-6-15/h2-14H,1H3,(H,22,23,24)
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n/an/a 392n/an/an/an/a7.422



Merck Research Laboratories



Assay Description
Activated KDR was incubated with 25 uM/10 uCi of [gamma-33P] ATP, poly-Glu/Tyr, and inhibitors in kinase buffer for 15 min at 22 °C. The reactio...


Bioorg Med Chem Lett 13: 1673-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00244-0
BindingDB Entry DOI: 10.7270/Q2X0657G
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5377
PNG
(2,4-Disubstituted Pyrimidine 2a | N-(2-methylpheny...)
Show SMILES Cc1ccccc1Nc1nccc(n1)-n1ccnc1-c1ccccc1
Show InChI InChI=1S/C20H17N5/c1-15-7-5-6-10-17(15)23-20-22-12-11-18(24-20)25-14-13-21-19(25)16-8-3-2-4-9-16/h2-14H,1H3,(H,22,23,24)
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PubMed
n/an/a 3.08E+3n/an/an/an/a7.422



Merck Research Laboratories



Assay Description
Activated KDR was incubated with 25 uM/10 uCi of [gamma-33P] ATP, poly-Glu/Tyr, and inhibitors in kinase buffer for 15 min at 22 °C. The reactio...


Bioorg Med Chem Lett 13: 1673-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00244-0
BindingDB Entry DOI: 10.7270/Q2X0657G
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5396
PNG
(1-oxido-3-{[4-(2-phenyl-1H-imidazol-1-yl)pyrimidin...)
Show SMILES [O-][n+]1cccc(Nc2nccc(n2)-n2ccnc2-c2ccccc2)c1
Show InChI InChI=1S/C18H14N6O/c25-23-11-4-7-15(13-23)21-18-20-9-8-16(22-18)24-12-10-19-17(24)14-5-2-1-3-6-14/h1-13H,(H,20,21,22)
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Article
PubMed
n/an/a 3.57E+3n/an/an/an/a7.422



Merck Research Laboratories



Assay Description
Activated KDR was incubated with 25 uM/10 uCi of [gamma-33P] ATP, poly-Glu/Tyr, and inhibitors in kinase buffer for 15 min at 22 °C. The reactio...


Bioorg Med Chem Lett 13: 1673-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00244-0
BindingDB Entry DOI: 10.7270/Q2X0657G
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5393
PNG
(2,4-Disubstituted Pyrimidine 4a | 4-(2-phenyl-1H-i...)
Show SMILES N(c1ccccn1)c1nccc(n1)-n1ccnc1-c1ccccc1
Show InChI InChI=1S/C18H14N6/c1-2-6-14(7-3-1)17-20-12-13-24(17)16-9-11-21-18(23-16)22-15-8-4-5-10-19-15/h1-13H,(H,19,21,22,23)
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PubMed
n/an/a 6.83E+3n/an/an/an/a7.422



Merck Research Laboratories



Assay Description
Activated KDR was incubated with 25 uM/10 uCi of [gamma-33P] ATP, poly-Glu/Tyr, and inhibitors in kinase buffer for 15 min at 22 °C. The reactio...


Bioorg Med Chem Lett 13: 1673-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00244-0
BindingDB Entry DOI: 10.7270/Q2X0657G
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5390
PNG
(2,4-Disubstituted Pyrimidine 3b | N-[3-methoxy-5-(...)
Show SMILES COc1cc(Nc2nccc(n2)-n2ccnc2-c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C21H16F3N5O/c1-30-17-12-15(21(22,23)24)11-16(13-17)27-20-26-8-7-18(28-20)29-10-9-25-19(29)14-5-3-2-4-6-14/h2-13H,1H3,(H,26,27,28)
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PubMed
n/an/a 1.90E+4n/an/an/an/a7.422



Merck Research Laboratories



Assay Description
Activated KDR was incubated with 25 uM/10 uCi of [gamma-33P] ATP, poly-Glu/Tyr, and inhibitors in kinase buffer for 15 min at 22 °C. The reactio...


Bioorg Med Chem Lett 13: 1673-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00244-0
BindingDB Entry DOI: 10.7270/Q2X0657G
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%