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Compile Data Set for Download or QSAR

Found 48 hits with Last Name = 'semones' and Initial = 'm'   
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
Angiopoietin-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 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
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM50024795
PNG
(CHEMBL2096892)
Show SMILES COc1ccc2cc(ccc2c1)-c1nc([nH]c1-c1ccncc1)-c1ccc(cc1C)[S@@+](C)[O-] |r|
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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
Angiopoietin-1 receptor


(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
Angiopoietin-1 receptor


(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
Angiopoietin-1 receptor


(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
Angiopoietin-1 receptor


(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
Angiopoietin-1 receptor


(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
Angiopoietin-1 receptor


(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
Angiopoietin-1 receptor


(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
Angiopoietin-1 receptor


(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
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM50024794
PNG
(CHEMBL2448122)
Show SMILES COc1ccc2cc(ccc2c1)-c1nc([nH]c1-c1ccncc1)-c1ccc(cc1C)[S@+](C)[O-] |r|
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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
Angiopoietin-1 receptor


(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
Angiopoietin-1 receptor


(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
Angiopoietin-1 receptor


(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
Angiopoietin-1 receptor


(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
Angiopoietin-1 receptor


(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
Angiopoietin-1 receptor


(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-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 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
Angiopoietin-1 receptor


(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
Angiopoietin-1 receptor


(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
Angiopoietin-1 receptor


(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
Angiopoietin-1 receptor


(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
Angiopoietin-1 receptor


(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
Angiopoietin-1 receptor


(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
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
Angiopoietin-1 receptor


(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
Angiopoietin-1 receptor


(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


(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
Angiopoietin-1 receptor


(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
Angiopoietin-1 receptor


(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
Angiopoietin-1 receptor


(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
Angiopoietin-1 receptor


(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
Angiopoietin-1 receptor


(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
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
Angiopoietin-1 receptor


(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
Angiopoietin-1 receptor


(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
Angiopoietin-1 receptor


(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
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
Protein kinase C beta type


(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
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
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
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
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
Platelet-derived growth factor receptor alpha


(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
Receptor-type tyrosine-protein kinase 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
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
Insulin-like growth 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>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
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