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PubMed code 12941314

Compile data set for download or QSAR
Found 17 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))
BDBM5328
PNG
(2-quinolinone deriv. 3 | 3-(1H-indol-2-yl)-1,2-dih...)
Show SMILES O=c1[nH]c2ccccc2cc1-c1cc2ccccc2[nH]1
Show InChI InChI=1S/C17H12N2O/c20-17-13(9-11-5-1-4-8-15(11)19-17)16-10-12-6-2-3-7-14(12)18-16/h1-10,18H,(H,19,20)
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PubMed
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 13: 2973-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00627-9
BindingDB Entry DOI: 10.7270/Q2DZ06H6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5323
PNG
(1-[3-(4-methylpiperazin-1-yl)propyl]-3-[5-(thiophe...)
Show SMILES CN1CCN(CCCn2cc(-c3cncc(c3)-c3ccsc3)c3ccccc23)CC1
Show InChI InChI=1S/C25H28N4S/c1-27-10-12-28(13-11-27)8-4-9-29-18-24(23-5-2-3-6-25(23)29)22-15-21(16-26-17-22)20-7-14-30-19-20/h2-3,5-7,14-19H,4,8-13H2,1H3
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PubMed
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 13: 2973-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00627-9
BindingDB Entry DOI: 10.7270/Q2DZ06H6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5322
PNG
(1-[3-(piperidin-1-yl)propyl]-3-[5-(thiophen-3-yl)p...)
Show SMILES C(CN1CCCCC1)Cn1cc(-c2cncc(c2)-c2ccsc2)c2ccccc12
Show InChI InChI=1S/C25H27N3S/c1-4-10-27(11-5-1)12-6-13-28-18-24(23-7-2-3-8-25(23)28)22-15-21(16-26-17-22)20-9-14-29-19-20/h2-3,7-9,14-19H,1,4-6,10-13H2
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n/an/a 38n/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: 2973-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00627-9
BindingDB Entry DOI: 10.7270/Q2DZ06H6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5327
PNG
(2-quinolinone deriv. 2 | 3-(1H-1,3-benzodiazol-2-y...)
Show SMILES O=c1[nH]c2ccccc2cc1-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C16H11N3O/c20-16-11(9-10-5-1-2-6-12(10)19-16)15-17-13-7-3-4-8-14(13)18-15/h1-9H,(H,17,18)(H,19,20)
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PubMed
n/an/a 45n/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: 2973-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00627-9
BindingDB Entry DOI: 10.7270/Q2DZ06H6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5325
PNG
(3-(5-Thien-3-ylpyridin-3-yl)-1Hindole 3h | dimethy...)
Show SMILES CC(CN(C)C)Cn1cc(-c2cncc(c2)-c2ccsc2)c2ccccc12
Show InChI InChI=1S/C23H25N3S/c1-17(13-25(2)3)14-26-15-22(21-6-4-5-7-23(21)26)20-10-19(11-24-12-20)18-8-9-27-16-18/h4-12,15-17H,13-14H2,1-3H3
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n/an/a 46n/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: 2973-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00627-9
BindingDB Entry DOI: 10.7270/Q2DZ06H6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5321
PNG
(3-(5-Thien-3-ylpyridin-3-yl)-1Hindole 3d | 4-(2-{3...)
Show SMILES C(Cn1cc(-c2cncc(c2)-c2ccsc2)c2ccccc12)N1CCOCC1
Show InChI InChI=1S/C23H23N3OS/c1-2-4-23-21(3-1)22(16-26(23)7-6-25-8-10-27-11-9-25)20-13-19(14-24-15-20)18-5-12-28-17-18/h1-5,12-17H,6-11H2
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n/an/a 60n/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: 2973-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00627-9
BindingDB Entry DOI: 10.7270/Q2DZ06H6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5324
PNG
(3-(5-Thien-3-ylpyridin-3-yl)-1Hindole 3g | dimethy...)
Show SMILES CN(C)CCCn1cc(-c2cncc(c2)-c2ccsc2)c2ccccc12
Show InChI InChI=1S/C22H23N3S/c1-24(2)9-5-10-25-15-21(20-6-3-4-7-22(20)25)19-12-18(13-23-14-19)17-8-11-26-16-17/h3-4,6-8,11-16H,5,9-10H2,1-2H3
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n/an/a 64n/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: 2973-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00627-9
BindingDB Entry DOI: 10.7270/Q2DZ06H6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5320
PNG
(1-[2-(piperidin-1-yl)ethyl]-3-[5-(thiophen-3-yl)py...)
Show SMILES C(Cn1cc(-c2cncc(c2)-c2ccsc2)c2ccccc12)N1CCCCC1
Show InChI InChI=1S/C24H25N3S/c1-4-9-26(10-5-1)11-12-27-17-23(22-6-2-3-7-24(22)27)21-14-20(15-25-16-21)19-8-13-28-18-19/h2-3,6-8,13-18H,1,4-5,9-12H2
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n/an/a 111n/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: 2973-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00627-9
BindingDB Entry DOI: 10.7270/Q2DZ06H6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5319
PNG
(3-(5-Thien-3-ylpyridin-3-yl)-1Hindole 3b | dimethy...)
Show SMILES CN(C)CCn1cc(-c2cncc(c2)-c2ccsc2)c2ccccc12
Show InChI InChI=1S/C21H21N3S/c1-23(2)8-9-24-14-20(19-5-3-4-6-21(19)24)18-11-17(12-22-13-18)16-7-10-25-15-16/h3-7,10-15H,8-9H2,1-2H3
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n/an/a 115n/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: 2973-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00627-9
BindingDB Entry DOI: 10.7270/Q2DZ06H6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5318
PNG
(3-(5-Thien-3-ylpyridin-3-yl)-1Hindole 3a | 3-[5-(t...)
Show SMILES c1cc(cs1)-c1cncc(c1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C17H12N2S/c1-2-4-17-15(3-1)16(10-19-17)14-7-13(8-18-9-14)12-5-6-20-11-12/h1-11,19H
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n/an/a 126n/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: 2973-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00627-9
BindingDB Entry DOI: 10.7270/Q2DZ06H6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5312
PNG
(2,4-diaryloxazole deriv. 2a | N-{4-phenyl-2-[5-(th...)
Show SMILES CC(=O)Nc1oc(nc1-c1ccccc1)-c1cncc(c1)-c1ccsc1
Show InChI InChI=1S/C20H15N3O2S/c1-13(24)22-20-18(14-5-3-2-4-6-14)23-19(25-20)17-9-16(10-21-11-17)15-7-8-26-12-15/h2-12H,1H3,(H,22,24)
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n/an/a 186n/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: 2973-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00627-9
BindingDB Entry DOI: 10.7270/Q2DZ06H6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5326
PNG
(6-(1H-1,3-benzodiazol-2-yl)-7H-benzo[7]annulen-7-o...)
Show SMILES O=c1ccc2ccccc2cc1-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C18H12N2O/c21-17-10-9-12-5-1-2-6-13(12)11-14(17)18-19-15-7-3-4-8-16(15)20-18/h1-11H,(H,19,20)
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n/an/a 355n/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: 2973-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00627-9
BindingDB Entry DOI: 10.7270/Q2DZ06H6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5313
PNG
(2,4-diaryloxazole deriv. 2b | N-[4-phenyl-2-(5-phe...)
Show SMILES CC(=O)Nc1oc(nc1-c1ccccc1)-c1cncc(c1)-c1ccccc1
Show InChI InChI=1S/C22H17N3O2/c1-15(26)24-22-20(17-10-6-3-7-11-17)25-21(27-22)19-12-18(13-23-14-19)16-8-4-2-5-9-16/h2-14H,1H3,(H,24,26)
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n/an/a 575n/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: 2973-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00627-9
BindingDB Entry DOI: 10.7270/Q2DZ06H6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5317
PNG
(2,4-diaryloxazole deriv. 2f | N-{2-[5-(4-methoxyph...)
Show SMILES COc1ccc(cc1)-c1cncc(c1)-c1nc(c(NC(C)=O)o1)-c1ccccc1
Show InChI InChI=1S/C23H19N3O3/c1-15(27)25-23-21(17-6-4-3-5-7-17)26-22(29-23)19-12-18(13-24-14-19)16-8-10-20(28-2)11-9-16/h3-14H,1-2H3,(H,25,27)
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n/an/a 4.04E+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: 2973-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00627-9
BindingDB Entry DOI: 10.7270/Q2DZ06H6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5316
PNG
(2,4-diaryloxazole deriv. 2e | N-{2-[5-(3-methoxyph...)
Show SMILES COc1cccc(c1)-c1cncc(c1)-c1nc(c(NC(C)=O)o1)-c1ccccc1
Show InChI InChI=1S/C23H19N3O3/c1-15(27)25-23-21(16-7-4-3-5-8-16)26-22(29-23)19-11-18(13-24-14-19)17-9-6-10-20(12-17)28-2/h3-14H,1-2H3,(H,25,27)
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n/an/a 4.86E+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: 2973-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00627-9
BindingDB Entry DOI: 10.7270/Q2DZ06H6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5314
PNG
(2,4-diaryloxazole deriv. 2c | N-{2-[5-(3-fluorophe...)
Show SMILES CC(=O)Nc1oc(nc1-c1ccccc1)-c1cncc(c1)-c1cccc(F)c1
Show InChI InChI=1S/C22H16FN3O2/c1-14(27)25-22-20(15-6-3-2-4-7-15)26-21(28-22)18-10-17(12-24-13-18)16-8-5-9-19(23)11-16/h2-13H,1H3,(H,25,27)
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n/an/a 5.70E+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: 2973-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00627-9
BindingDB Entry DOI: 10.7270/Q2DZ06H6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5315
PNG
(2,4-diaryloxazole deriv. 2d | N-{2-[5-(3-chlorophe...)
Show SMILES CC(=O)Nc1oc(nc1-c1ccccc1)-c1cncc(c1)-c1cccc(Cl)c1
Show InChI InChI=1S/C22H16ClN3O2/c1-14(27)25-22-20(15-6-3-2-4-7-15)26-21(28-22)18-10-17(12-24-13-18)16-8-5-9-19(23)11-16/h2-13H,1H3,(H,25,27)
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PubMed
n/an/a 8.32E+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: 2973-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00627-9
BindingDB Entry DOI: 10.7270/Q2DZ06H6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%