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PubMed code 17618114

Compile data set for download or QSAR
Found 11 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 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (human))
BDBM50217604
PNG
(4-(5-(6-methoxynaphthalen-2-yl)-1-methyl-2-(4-(met...)
Show SMILES COc1ccc2cc(ccc2c1)-c1c(nc(-c2ccc(cc2)S(C)=O)n1C)-c1ccncc1
Show InChI InChI=1S/C27H23N3O2S/c1-30-26(22-5-4-21-17-23(32-2)9-6-20(21)16-22)25(18-12-14-28-15-13-18)29-27(30)19-7-10-24(11-8-19)33(3)31/h4-17H,1-3H3
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n/an/a 60n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Tie2 kinase by autophosphorylation assay


Bioorg Med Chem Lett 17: 4756-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.068
BindingDB Entry DOI: 10.7270/Q25H7FZX
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (human))
BDBM50217605
PNG
(4-(4-(6-methylnaphthalen-2-yl)-2-(4-(methylsulfiny...)
Show SMILES Cc1ccc2cc(ccc2c1)-c1[nH]c(nc1-c1ccncc1)-c1ccc(cc1)S(C)=O
Show InChI InChI=1S/C26H21N3OS/c1-17-3-4-21-16-22(6-5-20(21)15-17)25-24(18-11-13-27-14-12-18)28-26(29-25)19-7-9-23(10-8-19)31(2)30/h3-16H,1-2H3,(H,28,29)
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n/an/a 219n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Tie2 kinase by autophosphorylation assay


Bioorg Med Chem Lett 17: 4756-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.068
BindingDB Entry DOI: 10.7270/Q25H7FZX
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (human))
BDBM50217603
PNG
(4-(4-(6-methoxynaphthalen-2-yl)-2-(4-(methylsulfin...)
Show SMILES COc1ccc2cc(ccc2c1)-c1[nH]c(nc1-c1ccncc1)-c1ccc(cc1)S(C)=O
Show InChI InChI=1S/C26H21N3O2S/c1-31-22-8-5-19-15-21(4-3-20(19)16-22)25-24(17-11-13-27-14-12-17)28-26(29-25)18-6-9-23(10-7-18)32(2)30/h3-16H,1-2H3,(H,28,29)
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n/an/a 250n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Tie2 kinase by autophosphorylation assay


Bioorg Med Chem Lett 17: 4756-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.068
BindingDB Entry DOI: 10.7270/Q25H7FZX
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (human))
BDBM50217610
PNG
(4-(2-(4-(methylsulfinyl)phenyl)-4-(naphthalen-2-yl...)
Show SMILES CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2ccccc2c1)-c1ccncc1
Show InChI InChI=1S/C25H19N3OS/c1-30(29)22-10-8-19(9-11-22)25-27-23(18-12-14-26-15-13-18)24(28-25)21-7-6-17-4-2-3-5-20(17)16-21/h2-16H,1H3,(H,27,28)
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n/an/a 300n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Tie2 kinase by autophosphorylation assay


Bioorg Med Chem Lett 17: 4756-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.068
BindingDB Entry DOI: 10.7270/Q25H7FZX
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (human))
BDBM50217609
PNG
(4-(4-(6-bromonaphthalen-2-yl)-2-(4-(methylsulfinyl...)
Show SMILES CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2cc(Br)ccc2c1)-c1ccncc1
Show InChI InChI=1S/C25H18BrN3OS/c1-31(30)22-8-5-17(6-9-22)25-28-23(16-10-12-27-13-11-16)24(29-25)20-3-2-19-15-21(26)7-4-18(19)14-20/h2-15H,1H3,(H,28,29)
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n/an/a 339n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Tie2 kinase by autophosphorylation assay


Bioorg Med Chem Lett 17: 4756-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.068
BindingDB Entry DOI: 10.7270/Q25H7FZX
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (human))
BDBM50217611
PNG
(4-(5-(6-methoxynaphthalen-2-yl)-2-(4-(methylsulfin...)
Show SMILES CCCn1c(nc(c1-c1ccc2cc(OC)ccc2c1)-c1ccncc1)-c1ccc(cc1)S(C)=O
Show InChI InChI=1S/C29H27N3O2S/c1-4-17-32-28(24-6-5-23-19-25(34-2)10-7-22(23)18-24)27(20-13-15-30-16-14-20)31-29(32)21-8-11-26(12-9-21)35(3)33/h5-16,18-19H,4,17H2,1-3H3
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n/an/a 437n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Tie2 kinase by autophosphorylation assay


Bioorg Med Chem Lett 17: 4756-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.068
BindingDB Entry DOI: 10.7270/Q25H7FZX
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (human))
BDBM50217612
PNG
(4-(1-isobutyl-5-(6-methoxynaphthalen-2-yl)-2-(4-(m...)
Show SMILES COc1ccc2cc(ccc2c1)-c1c(nc(-c2ccc(cc2)S(C)=O)n1CC(C)C)-c1ccncc1
Show InChI InChI=1S/C30H29N3O2S/c1-20(2)19-33-29(25-6-5-24-18-26(35-3)10-7-23(24)17-25)28(21-13-15-31-16-14-21)32-30(33)22-8-11-27(12-9-22)36(4)34/h5-18,20H,19H2,1-4H3
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n/an/a 3.89E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Tie2 kinase by autophosphorylation assay


Bioorg Med Chem Lett 17: 4756-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.068
BindingDB Entry DOI: 10.7270/Q25H7FZX
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (human))
BDBM50217608
PNG
(4-(1-ethyl-5-(6-methoxynaphthalen-2-yl)-2-(4-(meth...)
Show SMILES CCn1c(nc(c1-c1ccc2cc(OC)ccc2c1)-c1ccncc1)-c1ccc(cc1)S(C)=O
Show InChI InChI=1S/C28H25N3O2S/c1-4-31-27(23-6-5-22-18-24(33-2)10-7-21(22)17-23)26(19-13-15-29-16-14-19)30-28(31)20-8-11-25(12-9-20)34(3)32/h5-18H,4H2,1-3H3
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n/an/a 5.37E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Tie2 kinase by autophosphorylation assay


Bioorg Med Chem Lett 17: 4756-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.068
BindingDB Entry DOI: 10.7270/Q25H7FZX
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (human))
BDBM50217606
PNG
(4-(2-(4-(methylsulfinyl)phenyl)-4-(6-phenylnaphtha...)
Show SMILES CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2cc(ccc2c1)-c1ccccc1)-c1ccncc1
Show InChI InChI=1S/C31H23N3OS/c1-36(35)28-13-11-23(12-14-28)31-33-29(22-15-17-32-18-16-22)30(34-31)27-10-9-25-19-24(7-8-26(25)20-27)21-5-3-2-4-6-21/h2-20H,1H3,(H,33,34)
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n/an/a 5.50E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Tie2 kinase by autophosphorylation assay


Bioorg Med Chem Lett 17: 4756-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.068
BindingDB Entry DOI: 10.7270/Q25H7FZX
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (human))
BDBM50217607
PNG
(4-[2-(4-methanesulfinyl-phenyl)-5-(6-methoxy-napht...)
Show SMILES COc1ccc2cc(ccc2c1)-c1nc(-c2ccc(cc2)S(C)=O)n(C)c1-c1ccncc1
Show InChI InChI=1S/C27H23N3O2S/c1-30-26(18-12-14-28-15-13-18)25(29-27(30)19-7-10-24(11-8-19)33(3)31)22-5-4-21-17-23(32-2)9-6-20(21)16-22/h4-17H,1-3H3
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n/an/a 2.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Tie2 kinase by autophosphorylation assay


Bioorg Med Chem Lett 17: 4756-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.068
BindingDB Entry DOI: 10.7270/Q25H7FZX
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (human))
BDBM13336
PNG
(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Show SMILES CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)
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n/an/a 2.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Tie2 kinase by autophosphorylation assay


Bioorg Med Chem Lett 17: 4756-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.068
BindingDB Entry DOI: 10.7270/Q25H7FZX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%