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PubMed code 12217372

Compile data set for download or QSAR
Found 23 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))		BDBM5435
PNG
(1-[3-(4-methylpiperazin-1-yl)propyl]-4-[3-(thiophe...)
Show SMILES CN1CCN(CCCn2ccc(cc2=O)-c2cnc3c(cnn3c2)-c2ccsc2)CC1
Show InChI InChI=1S/C23H26N6OS/c1-26-8-10-27(11-9-26)5-2-6-28-7-3-18(13-22(28)30)20-14-24-23-21(15-25-29(23)16-20)19-4-12-31-17-19/h3-4,7,12-17H,2,5-6,8-11H2,1H3
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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 12: 2767-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00525-5
BindingDB Entry DOI: 10.7270/Q2NG4NTG
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM5416
PNG
(4-(2-{4-[3-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-...)
Show SMILES C(CN1CCOCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccncc1
Show InChI InChI=1S/C23H23N5O2/c1-3-21(30-14-11-27-9-12-29-13-10-27)4-2-18(1)20-15-25-23-22(16-26-28(23)17-20)19-5-7-24-8-6-19/h1-8,15-17H,9-14H2
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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 12: 2767-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00525-5
BindingDB Entry DOI: 10.7270/Q2NG4NTG
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM5434
PNG
(1-[3-(4-methylpiperazin-1-yl)propyl]-4-{3-phenylpy...)
Show SMILES CN1CCN(CCCn2ccc(cc2=O)-c2cnc3c(cnn3c2)-c2ccccc2)CC1
Show InChI InChI=1S/C25H28N6O/c1-28-12-14-29(15-13-28)9-5-10-30-11-8-21(16-24(30)32)22-17-26-25-23(18-27-31(25)19-22)20-6-3-2-4-7-20/h2-4,6-8,11,16-19H,5,9-10,12-15H2,1H3
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n/an/a 13n/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 12: 2767-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00525-5
BindingDB Entry DOI: 10.7270/Q2NG4NTG
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM5433
PNG
(4-{3-phenylpyrazolo[1,5-a]pyrimidin-6-yl}-1-[3-(pi...)
Show SMILES O=c1cc(ccn1CCCN1CCCCC1)-c1cnc2c(cnn2c1)-c1ccccc1
Show InChI InChI=1S/C25H27N5O/c31-24-16-21(10-15-29(24)14-7-13-28-11-5-2-6-12-28)22-17-26-25-23(18-27-30(25)19-22)20-8-3-1-4-9-20/h1,3-4,8-10,15-19H,2,5-7,11-14H2
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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 12: 2767-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00525-5
BindingDB Entry DOI: 10.7270/Q2NG4NTG
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM5432
PNG
(6-(4-methoxyphenyl)-3-(thiophen-3-yl)pyrazolo[1,5-...)
Show SMILES COc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccsc1
Show InChI InChI=1S/C17H13N3OS/c1-21-15-4-2-12(3-5-15)14-8-18-17-16(9-19-20(17)10-14)13-6-7-22-11-13/h2-11H,1H3
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n/an/a 19n/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 12: 2767-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00525-5
BindingDB Entry DOI: 10.7270/Q2NG4NTG
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM5431
PNG
(4-[3-(thiophen-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]...)
Show SMILES c1cc(cs1)-c1cnn2cc(cnc12)-c1ccncc1
Show InChI InChI=1S/C15H10N4S/c1-4-16-5-2-11(1)13-7-17-15-14(8-18-19(15)9-13)12-3-6-20-10-12/h1-10H
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n/an/a 24n/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 12: 2767-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00525-5
BindingDB Entry DOI: 10.7270/Q2NG4NTG
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM5437
PNG
(4-[3-(cyclopent-1-en-1-yl)pyrazolo[1,5-a]pyrimidin...)
Show SMILES C1CC=C(C1)c1cnn2cc(cnc12)-c1ccncc1 |c:2|
Show InChI InChI=1S/C16H14N4/c1-2-4-13(3-1)15-10-19-20-11-14(9-18-16(15)20)12-5-7-17-8-6-12/h3,5-11H,1-2,4H2
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n/an/a 28n/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 12: 2767-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00525-5
BindingDB Entry DOI: 10.7270/Q2NG4NTG
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM5420
PNG
(4-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-y...)
Show SMILES COc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccncc1
Show InChI InChI=1S/C18H14N4O/c1-23-16-4-2-13(3-5-16)15-10-20-18-17(11-21-22(18)12-15)14-6-8-19-9-7-14/h2-12H,1H3
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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 12: 2767-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00525-5
BindingDB Entry DOI: 10.7270/Q2NG4NTG
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM5438
PNG
(4-[3-(cyclohex-1-en-1-yl)pyrazolo[1,5-a]pyrimidin-...)
Show SMILES C1CCC(=CC1)c1cnn2cc(cnc12)-c1ccncc1 |c:3|
Show InChI InChI=1S/C17H16N4/c1-2-4-14(5-3-1)16-11-20-21-12-15(10-19-17(16)21)13-6-8-18-9-7-13/h4,6-12H,1-3,5H2
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n/an/a 41n/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 12: 2767-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00525-5
BindingDB Entry DOI: 10.7270/Q2NG4NTG
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM5421
PNG
(3-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-y...)
Show SMILES COc1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccnc1
Show InChI InChI=1S/C18H14N4O/c1-23-16-6-4-13(5-7-16)15-10-20-18-17(11-21-22(18)12-15)14-3-2-8-19-9-14/h2-12H,1H3
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n/an/a 41n/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 12: 2767-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00525-5
BindingDB Entry DOI: 10.7270/Q2NG4NTG
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM5419
PNG
(4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl...)
Show SMILES Cc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccncc1
Show InChI InChI=1S/C18H14N4/c1-13-2-4-14(5-3-13)16-10-20-18-17(11-21-22(18)12-16)15-6-8-19-9-7-15/h2-12H,1H3
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n/an/a 62n/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 12: 2767-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00525-5
BindingDB Entry DOI: 10.7270/Q2NG4NTG
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM5426
PNG
(4-[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl...)
Show SMILES Fc1ccc(cc1)-c1cnn2cc(cnc12)-c1ccncc1
Show InChI InChI=1S/C17H11FN4/c18-15-3-1-13(2-4-15)16-10-21-22-11-14(9-20-17(16)22)12-5-7-19-8-6-12/h1-11H
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n/an/a 63n/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 12: 2767-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00525-5
BindingDB Entry DOI: 10.7270/Q2NG4NTG
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM5294
PNG
(3,6-diarylpyrazolo[1,5-a]pyrimidine 1 | 6-(4-metho...)
Show SMILES COc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccccc1
Show InChI InChI=1S/C19H15N3O/c1-23-17-9-7-14(8-10-17)16-11-20-19-18(12-21-22(19)13-16)15-5-3-2-4-6-15/h2-13H,1H3
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n/an/a 71n/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 12: 2767-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00525-5
BindingDB Entry DOI: 10.7270/Q2NG4NTG
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM5424
PNG
(4-{3-phenylpyrazolo[1,5-a]pyrimidin-6-yl}pyridine ...)
Show SMILES c1nn2cc(cnc2c1-c1ccccc1)-c1ccncc1
Show InChI InChI=1S/C17H12N4/c1-2-4-14(5-3-1)16-11-20-21-12-15(10-19-17(16)21)13-6-8-18-9-7-13/h1-12H
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n/an/a 71n/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 12: 2767-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00525-5
BindingDB Entry DOI: 10.7270/Q2NG4NTG
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM5425
PNG
(2-{3-phenylpyrazolo[1,5-a]pyrimidin-6-yl}pyridine ...)
Show SMILES c1nn2cc(cnc2c1-c1ccccc1)-c1ccccn1
Show InChI InChI=1S/C17H12N4/c1-2-6-13(7-3-1)15-11-20-21-12-14(10-19-17(15)21)16-8-4-5-9-18-16/h1-12H
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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 12: 2767-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00525-5
BindingDB Entry DOI: 10.7270/Q2NG4NTG
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM5418
PNG
(4-[6-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl...)
Show SMILES Clc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccncc1
Show InChI InChI=1S/C17H11ClN4/c18-15-3-1-12(2-4-15)14-9-20-17-16(10-21-22(17)11-14)13-5-7-19-8-6-13/h1-11H
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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 12: 2767-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00525-5
BindingDB Entry DOI: 10.7270/Q2NG4NTG
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM5417
PNG
(4-[6-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]p...)
Show SMILES c1nn2cc(cnc2c1-c1ccncc1)-c1ccncc1
Show InChI InChI=1S/C16H11N5/c1-5-17-6-2-12(1)14-9-19-16-15(10-20-21(16)11-14)13-3-7-18-8-4-13/h1-11H
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n/an/a 224n/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 12: 2767-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00525-5
BindingDB Entry DOI: 10.7270/Q2NG4NTG
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM5428
PNG
(4-[3-(3-chloro-4-fluorophenyl)pyrazolo[1,5-a]pyrim...)
Show SMILES Fc1ccc(cc1Cl)-c1cnn2cc(cnc12)-c1ccncc1
Show InChI InChI=1S/C17H10ClFN4/c18-15-7-12(1-2-16(15)19)14-9-22-23-10-13(8-21-17(14)23)11-3-5-20-6-4-11/h1-10H
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n/an/a 265n/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 12: 2767-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00525-5
BindingDB Entry DOI: 10.7270/Q2NG4NTG
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM5436
PNG
(6-cyclohexyl-3-(thiophen-3-yl)pyrazolo[1,5-a]pyrim...)
Show SMILES C1CCC(CC1)c1cnc2c(cnn2c1)-c1ccsc1
Show InChI InChI=1S/C16H17N3S/c1-2-4-12(5-3-1)14-8-17-16-15(9-18-19(16)10-14)13-6-7-20-11-13/h6-12H,1-5H2
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n/an/a 280n/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 12: 2767-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00525-5
BindingDB Entry DOI: 10.7270/Q2NG4NTG
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM5427
PNG
(4-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl...)
Show SMILES Clc1cccc(c1)-c1cnn2cc(cnc12)-c1ccncc1
Show InChI InChI=1S/C17H11ClN4/c18-15-3-1-2-13(8-15)16-10-21-22-11-14(9-20-17(16)22)12-4-6-19-7-5-12/h1-11H
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Article
PubMed
n/an/a 350n/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 12: 2767-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00525-5
BindingDB Entry DOI: 10.7270/Q2NG4NTG
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM5429
PNG
(4-[3-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-6-y...)
Show SMILES COc1cccc(c1)-c1cnn2cc(cnc12)-c1ccncc1
Show InChI InChI=1S/C18H14N4O/c1-23-16-4-2-3-14(9-16)17-11-21-22-12-15(10-20-18(17)22)13-5-7-19-8-6-13/h2-12H,1H3
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n/an/a 510n/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 12: 2767-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00525-5
BindingDB Entry DOI: 10.7270/Q2NG4NTG
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM5422
PNG
(2-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-y...)
Show SMILES COc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccccn1
Show InChI InChI=1S/C18H14N4O/c1-23-15-7-5-13(6-8-15)14-10-20-18-16(11-21-22(18)12-14)17-4-2-3-9-19-17/h2-12H,1H3
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PubMed
n/an/a 1.00E+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 12: 2767-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00525-5
BindingDB Entry DOI: 10.7270/Q2NG4NTG
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM5430
PNG
(4-[3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-6-y...)
Show SMILES COc1ccc(cc1)-c1cnn2cc(cnc12)-c1ccncc1
Show InChI InChI=1S/C18H14N4O/c1-23-16-4-2-14(3-5-16)17-11-21-22-12-15(10-20-18(17)22)13-6-8-19-9-7-13/h2-12H,1H3
PDB
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Article
PubMed
n/an/an/an/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 12: 2767-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00525-5
BindingDB Entry DOI: 10.7270/Q2NG4NTG
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%