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Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with all data for entry = 720   
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))
BDBM5375
PNG
(1-phenyl-5-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-1H...)
Show SMILES C(CN1CCCCC1)Oc1ccc(cc1)-c1ccc2n(cnc2c1)-c1ccccc1
Show InChI InChI=1S/C26H27N3O/c1-3-7-23(8-4-1)29-20-27-25-19-22(11-14-26(25)29)21-9-12-24(13-10-21)30-18-17-28-15-5-2-6-16-28/h1,3-4,7-14,19-20H,2,5-6,15-18H2
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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 13: 2485-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00485-2
BindingDB Entry DOI: 10.7270/Q21R6NQ2
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5366
PNG
(1-phenyl-5-{6-[2-(piperidin-1-yl)ethoxy]pyridin-3-...)
Show SMILES C(CN1CCCCC1)Oc1ccc(cn1)-c1ccc2n(cnc2c1)-c1ccccc1
Show InChI InChI=1S/C25H26N4O/c1-3-7-22(8-4-1)29-19-27-23-17-20(9-11-24(23)29)21-10-12-25(26-18-21)30-16-15-28-13-5-2-6-14-28/h1,3-4,7-12,17-19H,2,5-6,13-16H2
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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 13: 2485-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00485-2
BindingDB Entry DOI: 10.7270/Q21R6NQ2
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5368
PNG
(4-(1-phenyl-1H-1,3-benzodiazol-5-yl)-1-[3-(piperid...)
Show SMILES O=c1cc(ccn1CCCN1CCCCC1)-c1ccc2n(cnc2c1)-c1ccccc1
Show InChI InChI=1S/C26H28N4O/c31-26-19-22(12-17-29(26)16-7-15-28-13-5-2-6-14-28)21-10-11-25-24(18-21)27-20-30(25)23-8-3-1-4-9-23/h1,3-4,8-12,17-20H,2,5-7,13-16H2
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Article
PubMed
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: 2485-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00485-2
BindingDB Entry DOI: 10.7270/Q21R6NQ2
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5369
PNG
(5-(1-phenyl-1H-1,3-benzodiazol-5-yl)-1-[3-(piperid...)
Show SMILES O=c1ccc(cn1CCCN1CCCCC1)-c1ccc2n(cnc2c1)-c1ccccc1
Show InChI InChI=1S/C26H28N4O/c31-26-13-11-22(19-29(26)17-7-16-28-14-5-2-6-15-28)21-10-12-25-24(18-21)27-20-30(25)23-8-3-1-4-9-23/h1,3-4,8-13,18-20H,2,5-7,14-17H2
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PubMed
n/an/a 37n/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: 2485-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00485-2
BindingDB Entry DOI: 10.7270/Q21R6NQ2
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5376
PNG
(1-[2-(4-{3-phenyl-3H-imidazo[4,5-b]pyridin-6-yl}ph...)
Show SMILES C(CN1CCCCC1)Oc1ccc(cc1)-c1cnc2n(cnc2c1)-c1ccccc1
Show InChI InChI=1S/C25H26N4O/c1-3-7-22(8-4-1)29-19-27-24-17-21(18-26-25(24)29)20-9-11-23(12-10-20)30-16-15-28-13-5-2-6-14-28/h1,3-4,7-12,17-19H,2,5-6,13-16H2
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n/an/a 37n/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: 2485-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00485-2
BindingDB Entry DOI: 10.7270/Q21R6NQ2
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5367
PNG
(N-[2-(morpholin-4-yl)ethyl]-5-(1-phenyl-1H-1,3-ben...)
Show SMILES C(CN1CCOCC1)Nc1ccc(cn1)-c1ccc2n(cnc2c1)-c1ccccc1
Show InChI InChI=1S/C24H25N5O/c1-2-4-21(5-3-1)29-18-27-22-16-19(6-8-23(22)29)20-7-9-24(26-17-20)25-10-11-28-12-14-30-15-13-28/h1-9,16-18H,10-15H2,(H,25,26)
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n/an/a 52n/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: 2485-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00485-2
BindingDB Entry DOI: 10.7270/Q21R6NQ2
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5370
PNG
(4-(1-phenyl-1H-1,3-benzodiazol-5-yl)-1-[2-(piperid...)
Show SMILES O=c1cc(ccn1CCN1CCCCC1)-c1ccc2n(cnc2c1)-c1ccccc1
Show InChI InChI=1S/C25H26N4O/c30-25-18-21(11-14-28(25)16-15-27-12-5-2-6-13-27)20-9-10-24-23(17-20)26-19-29(24)22-7-3-1-4-8-22/h1,3-4,7-11,14,17-19H,2,5-6,12-13,15-16H2
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PubMed
n/an/a 88n/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: 2485-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00485-2
BindingDB Entry DOI: 10.7270/Q21R6NQ2
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5372
PNG
(4-(1-phenyl-1H-1,3-benzodiazol-5-yl)-1-[3-(piperid...)
Show SMILES O=c1nc(ccn1CCCN1CCCCC1)-c1ccc2n(cnc2c1)-c1ccccc1
Show InChI InChI=1S/C25H27N5O/c31-25-27-22(12-17-29(25)16-7-15-28-13-5-2-6-14-28)20-10-11-24-23(18-20)26-19-30(24)21-8-3-1-4-9-21/h1,3-4,8-12,17-19H,2,5-7,13-16H2
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n/an/a 96n/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: 2485-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00485-2
BindingDB Entry DOI: 10.7270/Q21R6NQ2
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5374
PNG
(4-(1H-1,3-benzodiazol-1-yl)-N-(3-chlorophenyl)pyri...)
Show SMILES Clc1cccc(Nc2nccc(n2)-n2cnc3ccccc23)c1
Show InChI InChI=1S/C17H12ClN5/c18-12-4-3-5-13(10-12)21-17-19-9-8-16(22-17)23-11-20-14-6-1-2-7-15(14)23/h1-11H,(H,19,21,22)
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PubMed
n/an/a 113n/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: 2485-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00485-2
BindingDB Entry DOI: 10.7270/Q21R6NQ2
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5371
PNG
(5-(1-phenyl-1H-1,3-benzodiazol-5-yl)-1-[2-(piperid...)
Show SMILES O=c1ccc(cn1CCN1CCCCC1)-c1ccc2n(cnc2c1)-c1ccccc1
Show InChI InChI=1S/C25H26N4O/c30-25-12-10-21(18-28(25)16-15-27-13-5-2-6-14-27)20-9-11-24-23(17-20)26-19-29(24)22-7-3-1-4-8-22/h1,3-4,7-12,17-19H,2,5-6,13-16H2
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PubMed
n/an/a 270n/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: 2485-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00485-2
BindingDB Entry DOI: 10.7270/Q21R6NQ2
More data for this
Ligand-Target Pair