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PubMed code 17826092

Compile data set for download or QSAR
Found 37 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))
BDBM50221346
PNG
(4-[2-(4-methanesulfinyl-2-methyl-phenyl)-5-(6-meth...)
Show SMILES COc1ccc2cc(ccc2c1)-c1c(nc(-c2ccc(cc2C)S(C)=O)n1C)-c1ccncc1
Show InChI InChI=1S/C28H25N3O2S/c1-18-15-24(34(4)32)9-10-25(18)28-30-26(19-11-13-29-14-12-19)27(31(28)2)22-6-5-21-17-23(33-3)8-7-20(21)16-22/h5-17H,1-4H3
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n/an/a 12n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Tie2


Bioorg Med Chem Lett 17: 5514-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.052
BindingDB Entry DOI: 10.7270/Q2542N96
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))
BDBM50024795
PNG
(CHEMBL2096892)
Show SMILES COc1ccc2cc(ccc2c1)-c1nc([nH]c1-c1ccncc1)-c1ccc(cc1C)[S@@+](C)[O-]
Show InChI InChI=1S/C27H23N3O2S/c1-17-14-23(33(3)31)8-9-24(17)27-29-25(18-10-12-28-13-11-18)26(30-27)21-5-4-20-16-22(32-2)7-6-19(20)15-21/h4-16H,1-3H3,(H,29,30)/t33-/m1/s1
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n/an/a 22n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Tie2


Bioorg Med Chem Lett 17: 5514-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.052
BindingDB Entry DOI: 10.7270/Q2542N96
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))
BDBM50221354
PNG
(4-(4-(6-methoxynaphthalen-2-yl)-2-(2-methyl-4-(met...)
Show SMILES COc1ccc2cc(ccc2c1)-c1[nH]c(nc1-c1ccncc1)-c1ccc(cc1C)S(C)=O
Show InChI InChI=1S/C27H23N3O2S/c1-17-14-23(33(3)31)8-9-24(17)27-29-25(18-10-12-28-13-11-18)26(30-27)21-5-4-20-16-22(32-2)7-6-19(20)15-21/h4-16H,1-3H3,(H,29,30)
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n/an/a 36n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Tie2


Bioorg Med Chem Lett 17: 5514-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.052
BindingDB Entry DOI: 10.7270/Q2542N96
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))
BDBM50221347
PNG
(4-(4-(6-methoxynaphthalen-2-yl)-2-(2-methyl-4-(met...)
Show SMILES COc1ccc2cc(ccc2c1)-c1[nH]c(nc1-c1ccncc1)-c1ccc(cc1C)S(C)(=O)=O
Show InChI InChI=1S/C27H23N3O3S/c1-17-14-23(34(3,31)32)8-9-24(17)27-29-25(18-10-12-28-13-11-18)26(30-27)21-5-4-20-16-22(33-2)7-6-19(20)15-21/h4-16H,1-3H3,(H,29,30)
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n/an/a 40n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Tie2


Bioorg Med Chem Lett 17: 5514-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.052
BindingDB Entry DOI: 10.7270/Q2542N96
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))
BDBM50221349
PNG
(4-(2-(2-chloro-4-(methylsulfinyl)phenyl)-4-(6-meth...)
Show SMILES COc1ccc2cc(ccc2c1)-c1[nH]c(nc1-c1ccncc1)-c1ccc(cc1Cl)S(C)=O
Show InChI InChI=1S/C26H20ClN3O2S/c1-32-20-6-5-17-13-19(4-3-18(17)14-20)25-24(16-9-11-28-12-10-16)29-26(30-25)22-8-7-21(33(2)31)15-23(22)27/h3-15H,1-2H3,(H,29,30)
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n/an/a 51n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Tie2


Bioorg Med Chem Lett 17: 5514-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.052
BindingDB Entry DOI: 10.7270/Q2542N96
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))
BDBM50221352
PNG
(4-(2-(2-chloro-4-(methylsulfonyl)phenyl)-4-(6-meth...)
Show SMILES COc1ccc2cc(ccc2c1)-c1[nH]c(nc1-c1ccncc1)-c1ccc(cc1Cl)S(C)(=O)=O
Show InChI InChI=1S/C26H20ClN3O3S/c1-33-20-6-5-17-13-19(4-3-18(17)14-20)25-24(16-9-11-28-12-10-16)29-26(30-25)22-8-7-21(15-23(22)27)34(2,31)32/h3-15H,1-2H3,(H,29,30)
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n/an/a 59n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Tie2


Bioorg Med Chem Lett 17: 5514-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.052
BindingDB Entry DOI: 10.7270/Q2542N96
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))
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


Bioorg Med Chem Lett 17: 5514-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.052
BindingDB Entry DOI: 10.7270/Q2542N96
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))
BDBM50221356
PNG
(4-(2-(2,6-dichlorophenyl)-4-(6-methoxynaphthalen-2...)
Show SMILES COc1ccc2cc(ccc2c1)-c1[nH]c(nc1-c1ccncc1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C25H17Cl2N3O/c1-31-19-8-7-16-13-18(6-5-17(16)14-19)24-23(15-9-11-28-12-10-15)29-25(30-24)22-20(26)3-2-4-21(22)27/h2-14H,1H3,(H,29,30)
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n/an/a 78n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Tie2


Bioorg Med Chem Lett 17: 5514-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.052
BindingDB Entry DOI: 10.7270/Q2542N96
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))
BDBM50221357
PNG
(4-(2-(2-bromophenyl)-4-(6-methoxynaphthalen-2-yl)-...)
Show SMILES COc1ccc2cc(ccc2c1)-c1[nH]c(nc1-c1ccncc1)-c1ccccc1Br
Show InChI InChI=1S/C25H18BrN3O/c1-30-20-9-8-17-14-19(7-6-18(17)15-20)24-23(16-10-12-27-13-11-16)28-25(29-24)21-4-2-3-5-22(21)26/h2-15H,1H3,(H,28,29)
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n/an/a 82n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Tie2


Bioorg Med Chem Lett 17: 5514-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.052
BindingDB Entry DOI: 10.7270/Q2542N96
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))
BDBM50024794
PNG
(CHEMBL2448122)
Show SMILES COc1ccc2cc(ccc2c1)-c1nc([nH]c1-c1ccncc1)-c1ccc(cc1C)[S@+](C)[O-]
Show InChI InChI=1S/C27H23N3O2S/c1-17-14-23(33(3)31)8-9-24(17)27-29-25(18-10-12-28-13-11-18)26(30-27)21-5-4-20-16-22(32-2)7-6-19(20)15-21/h4-16H,1-3H3,(H,29,30)/t33-/m0/s1
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n/an/a 95n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Tie2


Bioorg Med Chem Lett 17: 5514-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.052
BindingDB Entry DOI: 10.7270/Q2542N96
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))
BDBM50221358
PNG
(4-[2-(4-methanesulfonyl-2-methyl-phenyl)-5-(6-meth...)
Show SMILES COc1ccc2cc(ccc2c1)-c1c(nc(-c2ccc(cc2C)S(C)(=O)=O)n1C)-c1ccncc1
Show InChI InChI=1S/C28H25N3O3S/c1-18-15-24(35(4,32)33)9-10-25(18)28-30-26(19-11-13-29-14-12-19)27(31(28)2)22-6-5-21-17-23(34-3)8-7-20(21)16-22/h5-17H,1-4H3
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n/an/a 114n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Tie2


Bioorg Med Chem Lett 17: 5514-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.052
BindingDB Entry DOI: 10.7270/Q2542N96
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))
BDBM50221342
PNG
(4-(2-(2-chlorophenyl)-4-(6-methoxynaphthalen-2-yl)...)
Show SMILES COc1ccc2cc(ccc2c1)-c1[nH]c(nc1-c1ccncc1)-c1ccccc1Cl
Show InChI InChI=1S/C25H18ClN3O/c1-30-20-9-8-17-14-19(7-6-18(17)15-20)24-23(16-10-12-27-13-11-16)28-25(29-24)21-4-2-3-5-22(21)26/h2-15H,1H3,(H,28,29)
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n/an/a 157n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Tie2


Bioorg Med Chem Lett 17: 5514-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.052
BindingDB Entry DOI: 10.7270/Q2542N96
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))
BDBM50221353
PNG
(4-(4-(6-methoxynaphthalen-2-yl)-2-(4-(methylsulfon...)
Show SMILES COc1ccc2cc(ccc2c1)-c1[nH]c(nc1-c1ccncc1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C26H21N3O3S/c1-32-22-8-5-19-15-21(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)33(2,30)31/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


Bioorg Med Chem Lett 17: 5514-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.052
BindingDB Entry DOI: 10.7270/Q2542N96
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))
BDBM50221341
PNG
(4-(4-(6-methoxynaphthalen-2-yl)-2-(2-(trifluoromet...)
Show SMILES COc1ccc2cc(ccc2c1)-c1[nH]c(nc1-c1ccncc1)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C26H18F3N3O/c1-33-20-9-8-17-14-19(7-6-18(17)15-20)24-23(16-10-12-30-13-11-16)31-25(32-24)21-4-2-3-5-22(21)26(27,28)29/h2-15H,1H3,(H,31,32)
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n/an/a 260n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Tie2


Bioorg Med Chem Lett 17: 5514-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.052
BindingDB Entry DOI: 10.7270/Q2542N96
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50221346
PNG
(4-[2-(4-methanesulfinyl-2-methyl-phenyl)-5-(6-meth...)
Show SMILES COc1ccc2cc(ccc2c1)-c1c(nc(-c2ccc(cc2C)S(C)=O)n1C)-c1ccncc1
Show InChI InChI=1S/C28H25N3O2S/c1-18-15-24(34(4)32)9-10-25(18)28-30-26(19-11-13-29-14-12-19)27(31(28)2)22-6-5-21-17-23(33-3)8-7-20(21)16-22/h5-17H,1-4H3
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n/an/a 296n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of ALK5


Bioorg Med Chem Lett 17: 5514-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.052
BindingDB Entry DOI: 10.7270/Q2542N96
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))
BDBM50221344
PNG
(4-[5-(6-methoxy-naphthalen-2-yl)-1-methyl-2-(2-met...)
Show SMILES COc1ccc2cc(ccc2c1)-c1c(nc(-c2ccc(SC)cc2C)n1C)-c1ccncc1
Show InChI InChI=1S/C28H25N3OS/c1-18-15-24(33-4)9-10-25(18)28-30-26(19-11-13-29-14-12-19)27(31(28)2)22-6-5-21-17-23(32-3)8-7-20(21)16-22/h5-17H,1-4H3
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n/an/a 335n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Tie2


Bioorg Med Chem Lett 17: 5514-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.052
BindingDB Entry DOI: 10.7270/Q2542N96
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))
BDBM50221351
PNG
(4-(2-(2-ethylphenyl)-4-(6-methoxynaphthalen-2-yl)-...)
Show SMILES CCc1ccccc1-c1nc(c([nH]1)-c1ccc2cc(OC)ccc2c1)-c1ccncc1
Show InChI InChI=1S/C27H23N3O/c1-3-18-6-4-5-7-24(18)27-29-25(19-12-14-28-15-13-19)26(30-27)22-9-8-21-17-23(31-2)11-10-20(21)16-22/h4-17H,3H2,1-2H3,(H,29,30)
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n/an/a 346n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Tie2


Bioorg Med Chem Lett 17: 5514-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.052
BindingDB Entry DOI: 10.7270/Q2542N96
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))
BDBM50221350
PNG
(4-(4-(6-methoxynaphthalen-2-yl)-2-o-tolyl-1H-imida...)
Show SMILES COc1ccc2cc(ccc2c1)-c1[nH]c(nc1-c1ccncc1)-c1ccccc1C
Show InChI InChI=1S/C26H21N3O/c1-17-5-3-4-6-23(17)26-28-24(18-11-13-27-14-12-18)25(29-26)21-8-7-20-16-22(30-2)10-9-19(20)15-21/h3-16H,1-2H3,(H,28,29)
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n/an/a 387n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Tie2


Bioorg Med Chem Lett 17: 5514-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.052
BindingDB Entry DOI: 10.7270/Q2542N96
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (human))
BDBM50221346
PNG
(4-[2-(4-methanesulfinyl-2-methyl-phenyl)-5-(6-meth...)
Show SMILES COc1ccc2cc(ccc2c1)-c1c(nc(-c2ccc(cc2C)S(C)=O)n1C)-c1ccncc1
Show InChI InChI=1S/C28H25N3O2S/c1-18-15-24(34(4)32)9-10-25(18)28-30-26(19-11-13-29-14-12-19)27(31(28)2)22-6-5-21-17-23(33-3)8-7-20(21)16-22/h5-17H,1-4H3
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n/an/a 550n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of cFMS


Bioorg Med Chem Lett 17: 5514-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.052
BindingDB Entry DOI: 10.7270/Q2542N96
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))
BDBM50221345
PNG
(4-(2-(2-isopropylphenyl)-4-(6-methoxynaphthalen-2-...)
Show SMILES COc1ccc2cc(ccc2c1)-c1[nH]c(nc1-c1ccncc1)-c1ccccc1C(C)C
Show InChI InChI=1S/C28H25N3O/c1-18(2)24-6-4-5-7-25(24)28-30-26(19-12-14-29-15-13-19)27(31-28)22-9-8-21-17-23(32-3)11-10-20(21)16-22/h4-18H,1-3H3,(H,30,31)
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n/an/a 836n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Tie2


Bioorg Med Chem Lett 17: 5514-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.052
BindingDB Entry DOI: 10.7270/Q2542N96
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))
BDBM50221348
PNG
(4-(4-(6-methoxynaphthalen-2-yl)-2-(2-methyl-4-(met...)
Show SMILES COc1ccc2cc(ccc2c1)-c1[nH]c(nc1-c1ccncc1)-c1ccc(SC)cc1C
Show InChI InChI=1S/C27H23N3OS/c1-17-14-23(32-3)8-9-24(17)27-29-25(18-10-12-28-13-11-18)26(30-27)21-5-4-20-16-22(31-2)7-6-19(20)15-21/h4-16H,1-3H3,(H,29,30)
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n/an/a 1.30E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Tie2


Bioorg Med Chem Lett 17: 5514-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.052
BindingDB Entry DOI: 10.7270/Q2542N96
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))
BDBM50221355
PNG
(4-(2-(2-chloro-4-(methylthio)phenyl)-4-(6-methoxyn...)
Show SMILES COc1ccc2cc(ccc2c1)-c1[nH]c(nc1-c1ccncc1)-c1ccc(SC)cc1Cl
Show InChI InChI=1S/C26H20ClN3OS/c1-31-20-6-5-17-13-19(4-3-18(17)14-20)25-24(16-9-11-28-12-10-16)29-26(30-25)22-8-7-21(32-2)15-23(22)27/h3-15H,1-2H3,(H,29,30)
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n/an/a 1.50E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Tie2


Bioorg Med Chem Lett 17: 5514-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.052
BindingDB Entry DOI: 10.7270/Q2542N96
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50221346
PNG
(4-[2-(4-methanesulfinyl-2-methyl-phenyl)-5-(6-meth...)
Show SMILES COc1ccc2cc(ccc2c1)-c1c(nc(-c2ccc(cc2C)S(C)=O)n1C)-c1ccncc1
Show InChI InChI=1S/C28H25N3O2S/c1-18-15-24(34(4)32)9-10-25(18)28-30-26(19-11-13-29-14-12-19)27(31(28)2)22-6-5-21-17-23(33-3)8-7-20(21)16-22/h5-17H,1-4H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 17: 5514-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.052
BindingDB Entry DOI: 10.7270/Q2542N96
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))
BDBM50221343
PNG
(4-(2-(2-fluorophenyl)-4-(6-methoxynaphthalen-2-yl)...)
Show SMILES COc1ccc2cc(ccc2c1)-c1[nH]c(nc1-c1ccncc1)-c1ccccc1F
Show InChI InChI=1S/C25H18FN3O/c1-30-20-9-8-17-14-19(7-6-18(17)15-20)24-23(16-10-12-27-13-11-16)28-25(29-24)21-4-2-3-5-22(21)26/h2-15H,1H3,(H,28,29)
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n/an/a 1.60E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Tie2


Bioorg Med Chem Lett 17: 5514-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.052
BindingDB Entry DOI: 10.7270/Q2542N96
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (human))
BDBM50221346
PNG
(4-[2-(4-methanesulfinyl-2-methyl-phenyl)-5-(6-meth...)
Show SMILES COc1ccc2cc(ccc2c1)-c1c(nc(-c2ccc(cc2C)S(C)=O)n1C)-c1ccncc1
Show InChI InChI=1S/C28H25N3O2S/c1-18-15-24(34(4)32)9-10-25(18)28-30-26(19-11-13-29-14-12-19)27(31(28)2)22-6-5-21-17-23(33-3)8-7-20(21)16-22/h5-17H,1-4H3
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n/an/a 9.70E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of FGFR1


Bioorg Med Chem Lett 17: 5514-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.052
BindingDB Entry DOI: 10.7270/Q2542N96
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>2.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Tie2


Bioorg Med Chem Lett 17: 5514-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.052
BindingDB Entry DOI: 10.7270/Q2542N96
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50221346
PNG
(4-[2-(4-methanesulfinyl-2-methyl-phenyl)-5-(6-meth...)
Show SMILES COc1ccc2cc(ccc2c1)-c1c(nc(-c2ccc(cc2C)S(C)=O)n1C)-c1ccncc1
Show InChI InChI=1S/C28H25N3O2S/c1-18-15-24(34(4)32)9-10-25(18)28-30-26(19-11-13-29-14-12-19)27(31(28)2)22-6-5-21-17-23(33-3)8-7-20(21)16-22/h5-17H,1-4H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Abl kinase


Bioorg Med Chem Lett 17: 5514-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.052
BindingDB Entry DOI: 10.7270/Q2542N96
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50221346
PNG
(4-[2-(4-methanesulfinyl-2-methyl-phenyl)-5-(6-meth...)
Show SMILES COc1ccc2cc(ccc2c1)-c1c(nc(-c2ccc(cc2C)S(C)=O)n1C)-c1ccncc1
Show InChI InChI=1S/C28H25N3O2S/c1-18-15-24(34(4)32)9-10-25(18)28-30-26(19-11-13-29-14-12-19)27(31(28)2)22-6-5-21-17-23(33-3)8-7-20(21)16-22/h5-17H,1-4H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of INSR


Bioorg Med Chem Lett 17: 5514-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.052
BindingDB Entry DOI: 10.7270/Q2542N96
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM50221346
PNG
(4-[2-(4-methanesulfinyl-2-methyl-phenyl)-5-(6-meth...)
Show SMILES COc1ccc2cc(ccc2c1)-c1c(nc(-c2ccc(cc2C)S(C)=O)n1C)-c1ccncc1
Show InChI InChI=1S/C28H25N3O2S/c1-18-15-24(34(4)32)9-10-25(18)28-30-26(19-11-13-29-14-12-19)27(31(28)2)22-6-5-21-17-23(33-3)8-7-20(21)16-22/h5-17H,1-4H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Bioorg Med Chem Lett 17: 5514-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.052
BindingDB Entry DOI: 10.7270/Q2542N96
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50221346
PNG
(4-[2-(4-methanesulfinyl-2-methyl-phenyl)-5-(6-meth...)
Show SMILES COc1ccc2cc(ccc2c1)-c1c(nc(-c2ccc(cc2C)S(C)=O)n1C)-c1ccncc1
Show InChI InChI=1S/C28H25N3O2S/c1-18-15-24(34(4)32)9-10-25(18)28-30-26(19-11-13-29-14-12-19)27(31(28)2)22-6-5-21-17-23(33-3)8-7-20(21)16-22/h5-17H,1-4H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of FLT3


Bioorg Med Chem Lett 17: 5514-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.052
BindingDB Entry DOI: 10.7270/Q2542N96
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (human))
BDBM50221346
PNG
(4-[2-(4-methanesulfinyl-2-methyl-phenyl)-5-(6-meth...)
Show SMILES COc1ccc2cc(ccc2c1)-c1c(nc(-c2ccc(cc2C)S(C)=O)n1C)-c1ccncc1
Show InChI InChI=1S/C28H25N3O2S/c1-18-15-24(34(4)32)9-10-25(18)28-30-26(19-11-13-29-14-12-19)27(31(28)2)22-6-5-21-17-23(33-3)8-7-20(21)16-22/h5-17H,1-4H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta


Bioorg Med Chem Lett 17: 5514-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.052
BindingDB Entry DOI: 10.7270/Q2542N96
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50221346
PNG
(4-[2-(4-methanesulfinyl-2-methyl-phenyl)-5-(6-meth...)
Show SMILES COc1ccc2cc(ccc2c1)-c1c(nc(-c2ccc(cc2C)S(C)=O)n1C)-c1ccncc1
Show InChI InChI=1S/C28H25N3O2S/c1-18-15-24(34(4)32)9-10-25(18)28-30-26(19-11-13-29-14-12-19)27(31(28)2)22-6-5-21-17-23(33-3)8-7-20(21)16-22/h5-17H,1-4H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of IGFR1


Bioorg Med Chem Lett 17: 5514-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.052
BindingDB Entry DOI: 10.7270/Q2542N96
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (human))
BDBM50221346
PNG
(4-[2-(4-methanesulfinyl-2-methyl-phenyl)-5-(6-meth...)
Show SMILES COc1ccc2cc(ccc2c1)-c1c(nc(-c2ccc(cc2C)S(C)=O)n1C)-c1ccncc1
Show InChI InChI=1S/C28H25N3O2S/c1-18-15-24(34(4)32)9-10-25(18)28-30-26(19-11-13-29-14-12-19)27(31(28)2)22-6-5-21-17-23(33-3)8-7-20(21)16-22/h5-17H,1-4H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PKCbeta1


Bioorg Med Chem Lett 17: 5514-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.052
BindingDB Entry DOI: 10.7270/Q2542N96
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50221346
PNG
(4-[2-(4-methanesulfinyl-2-methyl-phenyl)-5-(6-meth...)
Show SMILES COc1ccc2cc(ccc2c1)-c1c(nc(-c2ccc(cc2C)S(C)=O)n1C)-c1ccncc1
Show InChI InChI=1S/C28H25N3O2S/c1-18-15-24(34(4)32)9-10-25(18)28-30-26(19-11-13-29-14-12-19)27(31(28)2)22-6-5-21-17-23(33-3)8-7-20(21)16-22/h5-17H,1-4H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha


Bioorg Med Chem Lett 17: 5514-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.052
BindingDB Entry DOI: 10.7270/Q2542N96
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50221346
PNG
(4-[2-(4-methanesulfinyl-2-methyl-phenyl)-5-(6-meth...)
Show SMILES COc1ccc2cc(ccc2c1)-c1c(nc(-c2ccc(cc2C)S(C)=O)n1C)-c1ccncc1
Show InChI InChI=1S/C28H25N3O2S/c1-18-15-24(34(4)32)9-10-25(18)28-30-26(19-11-13-29-14-12-19)27(31(28)2)22-6-5-21-17-23(33-3)8-7-20(21)16-22/h5-17H,1-4H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of MET


Bioorg Med Chem Lett 17: 5514-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.052
BindingDB Entry DOI: 10.7270/Q2542N96
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50221346
PNG
(4-[2-(4-methanesulfinyl-2-methyl-phenyl)-5-(6-meth...)
Show SMILES COc1ccc2cc(ccc2c1)-c1c(nc(-c2ccc(cc2C)S(C)=O)n1C)-c1ccncc1
Show InChI InChI=1S/C28H25N3O2S/c1-18-15-24(34(4)32)9-10-25(18)28-30-26(19-11-13-29-14-12-19)27(31(28)2)22-6-5-21-17-23(33-3)8-7-20(21)16-22/h5-17H,1-4H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of KIT


Bioorg Med Chem Lett 17: 5514-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.052
BindingDB Entry DOI: 10.7270/Q2542N96
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM50221346
PNG
(4-[2-(4-methanesulfinyl-2-methyl-phenyl)-5-(6-meth...)
Show SMILES COc1ccc2cc(ccc2c1)-c1c(nc(-c2ccc(cc2C)S(C)=O)n1C)-c1ccncc1
Show InChI InChI=1S/C28H25N3O2S/c1-18-15-24(34(4)32)9-10-25(18)28-30-26(19-11-13-29-14-12-19)27(31(28)2)22-6-5-21-17-23(33-3)8-7-20(21)16-22/h5-17H,1-4H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 17: 5514-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.052
BindingDB Entry DOI: 10.7270/Q2542N96
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%