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Compile Data Set for Download or QSAR

Found 19 hits Enz. Inhib. hit(s) with all data for entry = 718   
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))
BDBM5332
PNG
(3-{5-[2-(piperidin-1-yl)ethoxy]-1H-indol-2-yl}-1,2...)
Show SMILES O=c1[nH]c2ccccc2cc1-c1cc2cc(OCCN3CCCCC3)ccc2[nH]1
Show InChI InChI=1S/C24H25N3O2/c28-24-20(15-17-6-2-3-7-21(17)26-24)23-16-18-14-19(8-9-22(18)25-23)29-13-12-27-10-4-1-5-11-27/h2-3,6-9,14-16,25H,1,4-5,10-13H2,(H,26,28)
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Article
PubMed
n/an/a 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 14: 351-5 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.007
BindingDB Entry DOI: 10.7270/Q298856Z
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5330
PNG
(3-{5-[2-(4-acetylpiperazin-1-yl)ethoxy]-1H-indol-2...)
Show SMILES CC(=O)N1CCN(CCOc2ccc3[nH]c(cc3c2)-c2cc3ccccc3[nH]c2=O)CC1
Show InChI InChI=1S/C25H26N4O3/c1-17(30)29-10-8-28(9-11-29)12-13-32-20-6-7-23-19(14-20)16-24(26-23)21-15-18-4-2-3-5-22(18)27-25(21)31/h2-7,14-16,26H,8-13H2,1H3,(H,27,31)
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n/an/a 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 14: 351-5 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.007
BindingDB Entry DOI: 10.7270/Q298856Z
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5333
PNG
(3-{5-[(4-methylpiperazin-1-yl)carbonyl]-1H-indol-2...)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2[nH]c(cc2c1)-c1cc2ccccc2[nH]c1=O
Show InChI InChI=1S/C23H22N4O2/c1-26-8-10-27(11-9-26)23(29)16-6-7-20-17(12-16)14-21(24-20)18-13-15-4-2-3-5-19(15)25-22(18)28/h2-7,12-14,24H,8-11H2,1H3,(H,25,28)
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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 14: 351-5 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.007
BindingDB Entry DOI: 10.7270/Q298856Z
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5335
PNG
(3-{5-[(3-aminopyrrolidin-1-yl)carbonyl]-1H-indol-2...)
Show SMILES NC1CCN(C1)C(=O)c1ccc2[nH]c(cc2c1)-c1cc2ccccc2[nH]c1=O
Show InChI InChI=1S/C22H20N4O2/c23-16-7-8-26(12-16)22(28)14-5-6-19-15(9-14)11-20(24-19)17-10-13-3-1-2-4-18(13)25-21(17)27/h1-6,9-11,16,24H,7-8,12,23H2,(H,25,27)
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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 14: 351-5 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.007
BindingDB Entry DOI: 10.7270/Q298856Z
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5334
PNG
(3-[5-(piperazin-1-ylcarbonyl)-1H-indol-2-yl]-1,2-d...)
Show SMILES O=C(N1CCNCC1)c1ccc2[nH]c(cc2c1)-c1cc2ccccc2[nH]c1=O
Show InChI InChI=1S/C22H20N4O2/c27-21-17(12-14-3-1-2-4-18(14)25-21)20-13-16-11-15(5-6-19(16)24-20)22(28)26-9-7-23-8-10-26/h1-6,11-13,23-24H,7-10H2,(H,25,27)
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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 14: 351-5 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.007
BindingDB Entry DOI: 10.7270/Q298856Z
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5336
PNG
(2-(2-oxo-1,2-dihydroquinolin-3-yl)-N-(pyrrolidin-3...)
Show SMILES O=C(NC1CCNC1)c1ccc2[nH]c(cc2c1)-c1cc2ccccc2[nH]c1=O
Show InChI InChI=1S/C22H20N4O2/c27-21(24-16-7-8-23-12-16)14-5-6-19-15(9-14)11-20(25-19)17-10-13-3-1-2-4-18(13)26-22(17)28/h1-6,9-11,16,23,25H,7-8,12H2,(H,24,27)(H,26,28)
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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 14: 351-5 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.007
BindingDB Entry DOI: 10.7270/Q298856Z
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5280
PNG
(5-phenyl-N-(pyridin-2-yl)-1,3-thiazol-2-amine | N-...)
Show SMILES N(c1ncc(s1)-c1ccccc1)c1ccccn1
Show InChI InChI=1S/C14H11N3S/c1-2-6-11(7-3-1)12-10-16-14(18-12)17-13-8-4-5-9-15-13/h1-10H,(H,15,16,17)
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n/an/a 7n/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 14: 351-5 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.007
BindingDB Entry DOI: 10.7270/Q298856Z
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5329
PNG
(3-(5-{2-[(2-methoxyethyl)(methyl)amino]ethoxy}-1H-...)
Show SMILES COCCN(C)CCOc1ccc2[nH]c(cc2c1)-c1cc2ccccc2[nH]c1=O
Show InChI InChI=1S/C23H25N3O3/c1-26(9-11-28-2)10-12-29-18-7-8-21-17(13-18)15-22(24-21)19-14-16-5-3-4-6-20(16)25-23(19)27/h3-8,13-15,24H,9-12H2,1-2H3,(H,25,27)
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n/an/a 7n/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 14: 351-5 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.007
BindingDB Entry DOI: 10.7270/Q298856Z
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5331
PNG
(1-(3-{[2-(2-oxo-1,2-dihydroquinolin-3-yl)-1H-indol...)
Show SMILES OC(=O)C1CCN(CCCOc2ccc3[nH]c(cc3c2)-c2cc3ccccc3[nH]c2=O)CC1
Show InChI InChI=1S/C26H27N3O4/c30-25-21(15-18-4-1-2-5-22(18)28-25)24-16-19-14-20(6-7-23(19)27-24)33-13-3-10-29-11-8-17(9-12-29)26(31)32/h1-2,4-7,14-17,27H,3,8-13H2,(H,28,30)(H,31,32)
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n/an/a 8n/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 14: 351-5 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.007
BindingDB Entry DOI: 10.7270/Q298856Z
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5337
PNG
(3-{5-[(4-methylpiperazine-1-)sulfonyl]-1H-indol-2-...)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1ccc2[nH]c(cc2c1)-c1cc2ccccc2[nH]c1=O
Show InChI InChI=1S/C22H22N4O3S/c1-25-8-10-26(11-9-25)30(28,29)17-6-7-20-16(12-17)14-21(23-20)18-13-15-4-2-3-5-19(15)24-22(18)27/h2-7,12-14,23H,8-11H2,1H3,(H,24,27)
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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 14: 351-5 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.007
BindingDB Entry DOI: 10.7270/Q298856Z
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5338
PNG
(3-[5-(piperazine-1-sulfonyl)-1H-indol-2-yl]-1,2-di...)
Show SMILES O=c1[nH]c2ccccc2cc1-c1cc2cc(ccc2[nH]1)S(=O)(=O)N1CCNCC1
Show InChI InChI=1S/C21H20N4O3S/c26-21-17(12-14-3-1-2-4-18(14)24-21)20-13-15-11-16(5-6-19(15)23-20)29(27,28)25-9-7-22-8-10-25/h1-6,11-13,22-23H,7-10H2,(H,24,26)
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n/an/a 11n/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 14: 351-5 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.007
BindingDB Entry DOI: 10.7270/Q298856Z
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5340
PNG
(2-(2-oxo-1,2-dihydroquinolin-3-yl)-N-(pyrrolidin-3...)
Show SMILES O=c1[nH]c2ccccc2cc1-c1cc2cc(ccc2[nH]1)S(=O)(=O)NC1CCNC1
Show InChI InChI=1S/C21H20N4O3S/c26-21-17(10-13-3-1-2-4-18(13)24-21)20-11-14-9-16(5-6-19(14)23-20)29(27,28)25-15-7-8-22-12-15/h1-6,9-11,15,22-23,25H,7-8,12H2,(H,24,26)
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n/an/a 14n/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 14: 351-5 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.007
BindingDB Entry DOI: 10.7270/Q298856Z
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5339
PNG
(3-{5-[(3-aminopyrrolidine-1-)sulfonyl]-1H-indol-2-...)
Show SMILES NC1CCN(C1)S(=O)(=O)c1ccc2[nH]c(cc2c1)-c1cc2ccccc2[nH]c1=O
Show InChI InChI=1S/C21H20N4O3S/c22-15-7-8-25(12-15)29(27,28)16-5-6-19-14(9-16)11-20(23-19)17-10-13-3-1-2-4-18(13)24-21(17)26/h1-6,9-11,15,23H,7-8,12,22H2,(H,24,26)
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n/an/a 16n/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 14: 351-5 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.007
BindingDB Entry DOI: 10.7270/Q298856Z
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5344
PNG
(5-phenyl-N-(pyrazin-2-yl)-1,3-thiazol-2-amine | am...)
Show SMILES N(c1ncc(s1)-c1ccccc1)c1cnccn1
Show InChI InChI=1S/C13H10N4S/c1-2-4-10(5-3-1)11-8-16-13(18-11)17-12-9-14-6-7-15-12/h1-9H,(H,15,16,17)
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n/an/a 23n/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 14: 351-5 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.007
BindingDB Entry DOI: 10.7270/Q298856Z
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5345
PNG
(5-phenyl-N-(pyrimidin-4-yl)-1,3-thiazol-2-amine | ...)
Show SMILES N(c1ncc(s1)-c1ccccc1)c1ccncn1
Show InChI InChI=1S/C13H10N4S/c1-2-4-10(5-3-1)11-8-15-13(18-11)17-12-6-7-14-9-16-12/h1-9H,(H,14,15,16,17)
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n/an/a 36n/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 14: 351-5 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.007
BindingDB Entry DOI: 10.7270/Q298856Z
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5342
PNG
(N-(5-phenyl-1,3-thiazol-2-yl)benzamide | aminothia...)
Show SMILES O=C(Nc1ncc(s1)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C16H12N2OS/c19-15(13-9-5-2-6-10-13)18-16-17-11-14(20-16)12-7-3-1-4-8-12/h1-11H,(H,17,18,19)
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n/an/a 81n/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 14: 351-5 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.007
BindingDB Entry DOI: 10.7270/Q298856Z
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5346
PNG
(5-phenyl-N-(pyrimidin-2-yl)-1,3-thiazol-2-amine | ...)
Show SMILES N(c1ncc(s1)-c1ccccc1)c1ncccn1
Show InChI InChI=1S/C13H10N4S/c1-2-5-10(6-3-1)11-9-16-13(18-11)17-12-14-7-4-8-15-12/h1-9H,(H,14,15,16,17)
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n/an/a 137n/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 14: 351-5 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.007
BindingDB Entry DOI: 10.7270/Q298856Z
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5341
PNG
(N-butyl-N,3-dimethyl-4-[(E)-2-(5-nitro-1,3-thiazol...)
Show SMILES CCCCN(C)c1ccc(\N=N\c2ncc(s2)[N+]([O-])=O)c(C)c1
Show InChI InChI=1S/C15H19N5O2S/c1-4-5-8-19(3)12-6-7-13(11(2)9-12)17-18-15-16-10-14(23-15)20(21)22/h6-7,9-10H,4-5,8H2,1-3H3/b18-17+
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n/an/a 151n/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 14: 351-5 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.007
BindingDB Entry DOI: 10.7270/Q298856Z
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5347
PNG
(5-phenyl-N-(pyridin-3-yl)-1,3-thiazol-2-amine | am...)
Show SMILES N(c1ncc(s1)-c1ccccc1)c1cccnc1
Show InChI InChI=1S/C14H11N3S/c1-2-5-11(6-3-1)13-10-16-14(18-13)17-12-7-4-8-15-9-12/h1-10H,(H,16,17)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 240n/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 14: 351-5 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.007
BindingDB Entry DOI: 10.7270/Q298856Z
More data for this
Ligand-Target Pair