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PubMed code 19285388

Compile data set for download or QSAR
Found 41 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
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50293525
PNG
(5-methyl-2-(6-methylpyridin-2-yl)-N-(pyridin-4-yl)...)
Show SMILES Cc1csc2nc(nc(Nc3ccncc3)c12)-c1cccc(C)n1
Show InChI InChI=1S/C18H15N5S/c1-11-10-24-18-15(11)17(21-13-6-8-19-9-7-13)22-16(23-18)14-5-3-4-12(2)20-14/h3-10H,1-2H3,(H,19,21,22,23)
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n/an/a 16n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human ALK5 kinase expressed in Sf9 cells


Bioorg Med Chem Lett 19: 2277-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.087
BindingDB Entry DOI: 10.7270/Q2K07497
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50293515
PNG
(2-(4-methylthiazol-2-yl)-N-(pyridin-4-yl)quinazoli...)
Show SMILES Cc1csc(n1)-c1nc(Nc2ccncc2)c2ccccc2n1
Show InChI InChI=1S/C17H13N5S/c1-11-10-23-17(19-11)16-21-14-5-3-2-4-13(14)15(22-16)20-12-6-8-18-9-7-12/h2-10H,1H3,(H,18,20,21,22)
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n/an/a 20n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human ALK5 kinase expressed in Sf9 cells


Bioorg Med Chem Lett 19: 2277-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.087
BindingDB Entry DOI: 10.7270/Q2K07497
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50293526
PNG
(2-(6-methylpyridin-2-yl)-N-(pyridin-4-yl)thieno[3,...)
Show SMILES Cc1cccc(n1)-c1nc(Nc2ccncc2)c2sccc2n1
Show InChI InChI=1S/C17H13N5S/c1-11-3-2-4-14(19-11)16-21-13-7-10-23-15(13)17(22-16)20-12-5-8-18-9-6-12/h2-10H,1H3,(H,18,20,21,22)
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n/an/a 22n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human ALK5 kinase expressed in Sf9 cells


Bioorg Med Chem Lett 19: 2277-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.087
BindingDB Entry DOI: 10.7270/Q2K07497
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50293527
PNG
(2-(6-methylpyridin-2-yl)-N-(pyridin-4-yl)quinolin-...)
Show SMILES Cc1cccc(n1)-c1cc(Nc2ccncc2)c2ccccc2n1
Show InChI InChI=1S/C20H16N4/c1-14-5-4-8-18(22-14)20-13-19(23-15-9-11-21-12-10-15)16-6-2-3-7-17(16)24-20/h2-13H,1H3,(H,21,23,24)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human ALK5 kinase expressed in Sf9 cells


Bioorg Med Chem Lett 19: 2277-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.087
BindingDB Entry DOI: 10.7270/Q2K07497
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50293516
PNG
(2-(6-methylpyridin-2-yl)-N-(pyridin-4-yl)quinazoli...)
Show SMILES Cc1cccc(n1)-c1nc(Nc2ccncc2)c2ccccc2n1
Show InChI InChI=1S/C19H15N5/c1-13-5-4-8-17(21-13)19-23-16-7-3-2-6-15(16)18(24-19)22-14-9-11-20-12-10-14/h2-12H,1H3,(H,20,22,23,24)
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n/an/a 25n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human ALK5 kinase expressed in Sf9 cells


Bioorg Med Chem Lett 19: 2277-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.087
BindingDB Entry DOI: 10.7270/Q2K07497
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50293520
PNG
(CHEMBL537968 | N-(1H-indazol-5-yl)-2-(6-methylpyri...)
Show SMILES Cc1cccc(n1)-c1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1
Show InChI InChI=1S/C21H16N6/c1-13-5-4-8-19(23-13)21-25-18-7-3-2-6-16(18)20(26-21)24-15-9-10-17-14(11-15)12-22-27-17/h2-12H,1H3,(H,22,27)(H,24,25,26)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human ALK5 kinase expressed in Sf9 cells


Bioorg Med Chem Lett 19: 2277-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.087
BindingDB Entry DOI: 10.7270/Q2K07497
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50293519
PNG
(2-(6-methylpyridin-2-yl)-N-(pyrimidin-4-yl)quinazo...)
Show SMILES Cc1cccc(n1)-c1nc(Nc2ccncn2)c2ccccc2n1
Show InChI InChI=1S/C18H14N6/c1-12-5-4-8-15(21-12)18-22-14-7-3-2-6-13(14)17(24-18)23-16-9-10-19-11-20-16/h2-11H,1H3,(H,19,20,22,23,24)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human ALK5 kinase expressed in Sf9 cells


Bioorg Med Chem Lett 19: 2277-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.087
BindingDB Entry DOI: 10.7270/Q2K07497
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50293514
PNG
(2-(3-chlorophenyl)-N-(pyridin-4-yl)quinazolin-4-am...)
Show SMILES Clc1cccc(c1)-c1nc(Nc2ccncc2)c2ccccc2n1
Show InChI InChI=1S/C19H13ClN4/c20-14-5-3-4-13(12-14)18-23-17-7-2-1-6-16(17)19(24-18)22-15-8-10-21-11-9-15/h1-12H,(H,21,22,23,24)
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n/an/a 49n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human ALK5 kinase expressed in Sf9 cells


Bioorg Med Chem Lett 19: 2277-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.087
BindingDB Entry DOI: 10.7270/Q2K07497
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50293527
PNG
(2-(6-methylpyridin-2-yl)-N-(pyridin-4-yl)quinolin-...)
Show SMILES Cc1cccc(n1)-c1cc(Nc2ccncc2)c2ccccc2n1
Show InChI InChI=1S/C20H16N4/c1-14-5-4-8-18(22-14)20-13-19(23-15-9-11-21-12-10-15)16-6-2-3-7-17(16)24-20/h2-13H,1H3,(H,21,23,24)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of TGFbeta-induced ALK5 in human HepG2 cells by luciferase assay


Bioorg Med Chem Lett 19: 2277-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.087
BindingDB Entry DOI: 10.7270/Q2K07497
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50293526
PNG
(2-(6-methylpyridin-2-yl)-N-(pyridin-4-yl)thieno[3,...)
Show SMILES Cc1cccc(n1)-c1nc(Nc2ccncc2)c2sccc2n1
Show InChI InChI=1S/C17H13N5S/c1-11-3-2-4-14(19-11)16-21-13-7-10-23-15(13)17(22-16)20-12-5-8-18-9-6-12/h2-10H,1H3,(H,18,20,21,22)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of TGFbeta-induced ALK5 in human HepG2 cells by luciferase assay


Bioorg Med Chem Lett 19: 2277-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.087
BindingDB Entry DOI: 10.7270/Q2K07497
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50293519
PNG
(2-(6-methylpyridin-2-yl)-N-(pyrimidin-4-yl)quinazo...)
Show SMILES Cc1cccc(n1)-c1nc(Nc2ccncn2)c2ccccc2n1
Show InChI InChI=1S/C18H14N6/c1-12-5-4-8-15(21-12)18-22-14-7-3-2-6-13(14)17(24-18)23-16-9-10-19-11-20-16/h2-11H,1H3,(H,19,20,22,23,24)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of TGFbeta-induced ALK5 in human HepG2 cells by luciferase assay


Bioorg Med Chem Lett 19: 2277-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.087
BindingDB Entry DOI: 10.7270/Q2K07497
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50293520
PNG
(CHEMBL537968 | N-(1H-indazol-5-yl)-2-(6-methylpyri...)
Show SMILES Cc1cccc(n1)-c1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1
Show InChI InChI=1S/C21H16N6/c1-13-5-4-8-19(23-13)21-25-18-7-3-2-6-16(18)20(26-21)24-15-9-10-17-14(11-15)12-22-27-17/h2-12H,1H3,(H,22,27)(H,24,25,26)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of TGFbeta-induced ALK5 in human HepG2 cells by luciferase assay


Bioorg Med Chem Lett 19: 2277-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.087
BindingDB Entry DOI: 10.7270/Q2K07497
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50293524
PNG
(6-methyl-2-(6-methylpyridin-2-yl)-N-(pyridin-4-yl)...)
Show SMILES Cc1cccc(n1)-c1nc(C)cc(Nc2ccncc2)n1
Show InChI InChI=1S/C16H15N5/c1-11-4-3-5-14(18-11)16-19-12(2)10-15(21-16)20-13-6-8-17-9-7-13/h3-10H,1-2H3,(H,17,19,20,21)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human ALK5 kinase expressed in Sf9 cells


Bioorg Med Chem Lett 19: 2277-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.087
BindingDB Entry DOI: 10.7270/Q2K07497
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50293516
PNG
(2-(6-methylpyridin-2-yl)-N-(pyridin-4-yl)quinazoli...)
Show SMILES Cc1cccc(n1)-c1nc(Nc2ccncc2)c2ccccc2n1
Show InChI InChI=1S/C19H15N5/c1-13-5-4-8-17(21-13)19-23-16-7-3-2-6-15(16)18(24-19)22-14-9-11-20-12-10-14/h2-12H,1H3,(H,20,22,23,24)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of TGFbeta-induced ALK5 in human HepG2 cells by luciferase assay


Bioorg Med Chem Lett 19: 2277-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.087
BindingDB Entry DOI: 10.7270/Q2K07497
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50293513
PNG
(2-phenyl-N-(pyridin-4-yl)quinazolin-4-amine | CHEM...)
Show SMILES N(c1ccncc1)c1nc(nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C19H14N4/c1-2-6-14(7-3-1)18-22-17-9-5-4-8-16(17)19(23-18)21-15-10-12-20-13-11-15/h1-13H,(H,20,21,22,23)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human ALK5 kinase expressed in Sf9 cells


Bioorg Med Chem Lett 19: 2277-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.087
BindingDB Entry DOI: 10.7270/Q2K07497
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50293517
PNG
(2-(6-methylpyridin-2-yl)-N-(2-methylpyridin-4-yl)q...)
Show SMILES Cc1cccc(n1)-c1nc(Nc2ccnc(C)c2)c2ccccc2n1
Show InChI InChI=1S/C20H17N5/c1-13-6-5-9-18(22-13)20-24-17-8-4-3-7-16(17)19(25-20)23-15-10-11-21-14(2)12-15/h3-12H,1-2H3,(H,21,23,24,25)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human ALK5 kinase expressed in Sf9 cells


Bioorg Med Chem Lett 19: 2277-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.087
BindingDB Entry DOI: 10.7270/Q2K07497
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50293518
PNG
(3-(2-(6-methylpyridin-2-yl)quinazolin-4-ylamino)be...)
Show SMILES Cc1cccc(n1)-c1nc(Nc2cccc(c2)C(N)=O)c2ccccc2n1
Show InChI InChI=1S/C21H17N5O/c1-13-6-4-11-18(23-13)21-25-17-10-3-2-9-16(17)20(26-21)24-15-8-5-7-14(12-15)19(22)27/h2-12H,1H3,(H2,22,27)(H,24,25,26)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human ALK5 kinase expressed in Sf9 cells


Bioorg Med Chem Lett 19: 2277-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.087
BindingDB Entry DOI: 10.7270/Q2K07497
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50293525
PNG
(5-methyl-2-(6-methylpyridin-2-yl)-N-(pyridin-4-yl)...)
Show SMILES Cc1csc2nc(nc(Nc3ccncc3)c12)-c1cccc(C)n1
Show InChI InChI=1S/C18H15N5S/c1-11-10-24-18-15(11)17(21-13-6-8-19-9-7-13)22-16(23-18)14-5-3-4-12(2)20-14/h3-10H,1-2H3,(H,19,21,22,23)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of TGFbeta-induced ALK5 in human HepG2 cells by luciferase assay


Bioorg Med Chem Lett 19: 2277-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.087
BindingDB Entry DOI: 10.7270/Q2K07497
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50293515
PNG
(2-(4-methylthiazol-2-yl)-N-(pyridin-4-yl)quinazoli...)
Show SMILES Cc1csc(n1)-c1nc(Nc2ccncc2)c2ccccc2n1
Show InChI InChI=1S/C17H13N5S/c1-11-10-23-17(19-11)16-21-14-5-3-2-4-13(14)15(22-16)20-12-6-8-18-9-7-12/h2-10H,1H3,(H,18,20,21,22)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of TGFbeta-induced ALK5 in human HepG2 cells by luciferase assay


Bioorg Med Chem Lett 19: 2277-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.087
BindingDB Entry DOI: 10.7270/Q2K07497
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50293518
PNG
(3-(2-(6-methylpyridin-2-yl)quinazolin-4-ylamino)be...)
Show SMILES Cc1cccc(n1)-c1nc(Nc2cccc(c2)C(N)=O)c2ccccc2n1
Show InChI InChI=1S/C21H17N5O/c1-13-6-4-11-18(23-13)21-25-17-10-3-2-9-16(17)20(26-21)24-15-8-5-7-14(12-15)19(22)27/h2-12H,1H3,(H2,22,27)(H,24,25,26)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of TGFbeta-induced ALK5 in human HepG2 cells by luciferase assay


Bioorg Med Chem Lett 19: 2277-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.087
BindingDB Entry DOI: 10.7270/Q2K07497
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50293521
PNG
(CHEMBL550482 | N-(1-methyl-1H-indazol-5-yl)-2-(6-m...)
Show SMILES Cc1cccc(n1)-c1nc(Nc2ccc3n(C)ncc3c2)c2ccccc2n1
Show InChI InChI=1S/C22H18N6/c1-14-6-5-9-19(24-14)22-26-18-8-4-3-7-17(18)21(27-22)25-16-10-11-20-15(12-16)13-23-28(20)2/h3-13H,1-2H3,(H,25,26,27)
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n/an/a 588n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human ALK5 kinase expressed in Sf9 cells


Bioorg Med Chem Lett 19: 2277-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.087
BindingDB Entry DOI: 10.7270/Q2K07497
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50293522
PNG
(CHEMBL550483 | N-(2-(6-methylpyridin-2-yl)quinazol...)
Show SMILES Cc1cccc(n1)-c1nc(Nc2ccc3ncsc3c2)c2ccccc2n1
Show InChI InChI=1S/C21H15N5S/c1-13-5-4-8-18(23-13)21-25-16-7-3-2-6-15(16)20(26-21)24-14-9-10-17-19(11-14)27-12-22-17/h2-12H,1H3,(H,24,25,26)
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n/an/a 646n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human ALK5 kinase expressed in Sf9 cells


Bioorg Med Chem Lett 19: 2277-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.087
BindingDB Entry DOI: 10.7270/Q2K07497
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50293524
PNG
(6-methyl-2-(6-methylpyridin-2-yl)-N-(pyridin-4-yl)...)
Show SMILES Cc1cccc(n1)-c1nc(C)cc(Nc2ccncc2)n1
Show InChI InChI=1S/C16H15N5/c1-11-4-3-5-14(18-11)16-19-12(2)10-15(21-16)20-13-6-8-17-9-7-13/h3-10H,1-2H3,(H,17,19,20,21)
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n/an/a 745n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of TGFbeta-induced ALK5 in human HepG2 cells by luciferase assay


Bioorg Med Chem Lett 19: 2277-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.087
BindingDB Entry DOI: 10.7270/Q2K07497
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50293521
PNG
(CHEMBL550482 | N-(1-methyl-1H-indazol-5-yl)-2-(6-m...)
Show SMILES Cc1cccc(n1)-c1nc(Nc2ccc3n(C)ncc3c2)c2ccccc2n1
Show InChI InChI=1S/C22H18N6/c1-14-6-5-9-19(24-14)22-26-18-8-4-3-7-17(18)21(27-22)25-16-10-11-20-15(12-16)13-23-28(20)2/h3-13H,1-2H3,(H,25,26,27)
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n/an/a 794n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of TGFbeta-induced ALK5 in human HepG2 cells by luciferase assay


Bioorg Med Chem Lett 19: 2277-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.087
BindingDB Entry DOI: 10.7270/Q2K07497
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50293517
PNG
(2-(6-methylpyridin-2-yl)-N-(2-methylpyridin-4-yl)q...)
Show SMILES Cc1cccc(n1)-c1nc(Nc2ccnc(C)c2)c2ccccc2n1
Show InChI InChI=1S/C20H17N5/c1-13-6-5-9-18(22-13)20-24-17-8-4-3-7-16(17)19(25-20)23-15-10-11-21-14(2)12-15/h3-12H,1-2H3,(H,21,23,24,25)
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n/an/a 1.02E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of TGFbeta-induced ALK5 in human HepG2 cells by luciferase assay


Bioorg Med Chem Lett 19: 2277-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.087
BindingDB Entry DOI: 10.7270/Q2K07497
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50293513
PNG
(2-phenyl-N-(pyridin-4-yl)quinazolin-4-amine | CHEM...)
Show SMILES N(c1ccncc1)c1nc(nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C19H14N4/c1-2-6-14(7-3-1)18-22-17-9-5-4-8-16(17)19(23-18)21-15-10-12-20-13-11-15/h1-13H,(H,20,21,22,23)
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n/an/a 1.27E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-fused p38alpha


Bioorg Med Chem Lett 19: 2277-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.087
BindingDB Entry DOI: 10.7270/Q2K07497
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50293514
PNG
(2-(3-chlorophenyl)-N-(pyridin-4-yl)quinazolin-4-am...)
Show SMILES Clc1cccc(c1)-c1nc(Nc2ccncc2)c2ccccc2n1
Show InChI InChI=1S/C19H13ClN4/c20-14-5-3-4-13(12-14)18-23-17-7-2-1-6-16(17)19(24-18)22-15-8-10-21-11-9-15/h1-12H,(H,21,22,23,24)
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n/an/a 1.61E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of TGFbeta-induced ALK5 in human HepG2 cells by luciferase assay


Bioorg Med Chem Lett 19: 2277-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.087
BindingDB Entry DOI: 10.7270/Q2K07497
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50293513
PNG
(2-phenyl-N-(pyridin-4-yl)quinazolin-4-amine | CHEM...)
Show SMILES N(c1ccncc1)c1nc(nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C19H14N4/c1-2-6-14(7-3-1)18-22-17-9-5-4-8-16(17)19(23-18)21-15-10-12-20-13-11-15/h1-13H,(H,20,21,22,23)
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n/an/a 2.47E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of TGFbeta-induced ALK5 in human HepG2 cells by luciferase assay


Bioorg Med Chem Lett 19: 2277-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.087
BindingDB Entry DOI: 10.7270/Q2K07497
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50293523
PNG
(CHEMBL563207 | N-(1H-benzo[d][1,2,3]triazol-6-yl)-...)
Show SMILES Cc1cccc(n1)-c1nc(Nc2ccc3nn[nH]c3c2)c2ccccc2n1
Show InChI InChI=1S/C20H15N7/c1-12-5-4-8-17(21-12)20-23-15-7-3-2-6-14(15)19(24-20)22-13-9-10-16-18(11-13)26-27-25-16/h2-11H,1H3,(H,22,23,24)(H,25,26,27)
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n/an/a 3.72E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human ALK5 kinase expressed in Sf9 cells


Bioorg Med Chem Lett 19: 2277-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.087
BindingDB Entry DOI: 10.7270/Q2K07497
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50293523
PNG
(CHEMBL563207 | N-(1H-benzo[d][1,2,3]triazol-6-yl)-...)
Show SMILES Cc1cccc(n1)-c1nc(Nc2ccc3nn[nH]c3c2)c2ccccc2n1
Show InChI InChI=1S/C20H15N7/c1-12-5-4-8-17(21-12)20-23-15-7-3-2-6-14(15)19(24-20)22-13-9-10-16-18(11-13)26-27-25-16/h2-11H,1H3,(H,22,23,24)(H,25,26,27)
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n/an/a>5.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of TGFbeta-induced ALK5 in human HepG2 cells by luciferase assay


Bioorg Med Chem Lett 19: 2277-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.087
BindingDB Entry DOI: 10.7270/Q2K07497
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50293522
PNG
(CHEMBL550483 | N-(2-(6-methylpyridin-2-yl)quinazol...)
Show SMILES Cc1cccc(n1)-c1nc(Nc2ccc3ncsc3c2)c2ccccc2n1
Show InChI InChI=1S/C21H15N5S/c1-13-5-4-8-18(23-13)21-25-16-7-3-2-6-15(16)20(26-21)24-14-9-10-17-19(11-14)27-12-22-17/h2-12H,1H3,(H,24,25,26)
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n/an/a>5.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of TGFbeta-induced ALK5 in human HepG2 cells by luciferase assay


Bioorg Med Chem Lett 19: 2277-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.087
BindingDB Entry DOI: 10.7270/Q2K07497
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50293516
PNG
(2-(6-methylpyridin-2-yl)-N-(pyridin-4-yl)quinazoli...)
Show SMILES Cc1cccc(n1)-c1nc(Nc2ccncc2)c2ccccc2n1
Show InChI InChI=1S/C19H15N5/c1-13-5-4-8-17(21-13)19-23-16-7-3-2-6-15(16)18(24-19)22-14-9-11-20-12-10-14/h2-12H,1H3,(H,20,22,23,24)
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n/an/a 6.72E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-fused p38alpha


Bioorg Med Chem Lett 19: 2277-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.087
BindingDB Entry DOI: 10.7270/Q2K07497
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50293521
PNG
(CHEMBL550482 | N-(1-methyl-1H-indazol-5-yl)-2-(6-m...)
Show SMILES Cc1cccc(n1)-c1nc(Nc2ccc3n(C)ncc3c2)c2ccccc2n1
Show InChI InChI=1S/C22H18N6/c1-14-6-5-9-19(24-14)22-26-18-8-4-3-7-17(18)21(27-22)25-16-10-11-20-15(12-16)13-23-28(20)2/h3-13H,1-2H3,(H,25,26,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-fused p38alpha


Bioorg Med Chem Lett 19: 2277-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.087
BindingDB Entry DOI: 10.7270/Q2K07497
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50293523
PNG
(CHEMBL563207 | N-(1H-benzo[d][1,2,3]triazol-6-yl)-...)
Show SMILES Cc1cccc(n1)-c1nc(Nc2ccc3nn[nH]c3c2)c2ccccc2n1
Show InChI InChI=1S/C20H15N7/c1-12-5-4-8-17(21-12)20-23-15-7-3-2-6-14(15)19(24-20)22-13-9-10-16-18(11-13)26-27-25-16/h2-11H,1H3,(H,22,23,24)(H,25,26,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-fused p38alpha


Bioorg Med Chem Lett 19: 2277-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.087
BindingDB Entry DOI: 10.7270/Q2K07497
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50293520
PNG
(CHEMBL537968 | N-(1H-indazol-5-yl)-2-(6-methylpyri...)
Show SMILES Cc1cccc(n1)-c1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1
Show InChI InChI=1S/C21H16N6/c1-13-5-4-8-19(23-13)21-25-18-7-3-2-6-16(18)20(26-21)24-15-9-10-17-14(11-15)12-22-27-17/h2-12H,1H3,(H,22,27)(H,24,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-fused p38alpha


Bioorg Med Chem Lett 19: 2277-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.087
BindingDB Entry DOI: 10.7270/Q2K07497
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50293518
PNG
(3-(2-(6-methylpyridin-2-yl)quinazolin-4-ylamino)be...)
Show SMILES Cc1cccc(n1)-c1nc(Nc2cccc(c2)C(N)=O)c2ccccc2n1
Show InChI InChI=1S/C21H17N5O/c1-13-6-4-11-18(23-13)21-25-17-10-3-2-9-16(17)20(26-21)24-15-8-5-7-14(12-15)19(22)27/h2-12H,1H3,(H2,22,27)(H,24,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-fused p38alpha


Bioorg Med Chem Lett 19: 2277-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.087
BindingDB Entry DOI: 10.7270/Q2K07497
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50293517
PNG
(2-(6-methylpyridin-2-yl)-N-(2-methylpyridin-4-yl)q...)
Show SMILES Cc1cccc(n1)-c1nc(Nc2ccnc(C)c2)c2ccccc2n1
Show InChI InChI=1S/C20H17N5/c1-13-6-5-9-18(22-13)20-24-17-8-4-3-7-16(17)19(25-20)23-15-10-11-21-14(2)12-15/h3-12H,1-2H3,(H,21,23,24,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-fused p38alpha


Bioorg Med Chem Lett 19: 2277-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.087
BindingDB Entry DOI: 10.7270/Q2K07497
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50293522
PNG
(CHEMBL550483 | N-(2-(6-methylpyridin-2-yl)quinazol...)
Show SMILES Cc1cccc(n1)-c1nc(Nc2ccc3ncsc3c2)c2ccccc2n1
Show InChI InChI=1S/C21H15N5S/c1-13-5-4-8-18(23-13)21-25-16-7-3-2-6-15(16)20(26-21)24-14-9-10-17-19(11-14)27-12-22-17/h2-12H,1H3,(H,24,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-fused p38alpha


Bioorg Med Chem Lett 19: 2277-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.087
BindingDB Entry DOI: 10.7270/Q2K07497
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50293519
PNG
(2-(6-methylpyridin-2-yl)-N-(pyrimidin-4-yl)quinazo...)
Show SMILES Cc1cccc(n1)-c1nc(Nc2ccncn2)c2ccccc2n1
Show InChI InChI=1S/C18H14N6/c1-12-5-4-8-15(21-12)18-22-14-7-3-2-6-13(14)17(24-18)23-16-9-10-19-11-20-16/h2-11H,1H3,(H,19,20,22,23,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-fused p38alpha


Bioorg Med Chem Lett 19: 2277-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.087
BindingDB Entry DOI: 10.7270/Q2K07497
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50293514
PNG
(2-(3-chlorophenyl)-N-(pyridin-4-yl)quinazolin-4-am...)
Show SMILES Clc1cccc(c1)-c1nc(Nc2ccncc2)c2ccccc2n1
Show InChI InChI=1S/C19H13ClN4/c20-14-5-3-4-13(12-14)18-23-17-7-2-1-6-16(17)19(24-18)22-15-8-10-21-11-9-15/h1-12H,(H,21,22,23,24)
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n/an/a>1.50E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-fused p38alpha


Bioorg Med Chem Lett 19: 2277-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.087
BindingDB Entry DOI: 10.7270/Q2K07497
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50293515
PNG
(2-(4-methylthiazol-2-yl)-N-(pyridin-4-yl)quinazoli...)
Show SMILES Cc1csc(n1)-c1nc(Nc2ccncc2)c2ccccc2n1
Show InChI InChI=1S/C17H13N5S/c1-11-10-23-17(19-11)16-21-14-5-3-2-4-13(14)15(22-16)20-12-6-8-18-9-7-12/h2-10H,1H3,(H,18,20,21,22)
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n/an/a>1.50E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-fused p38alpha


Bioorg Med Chem Lett 19: 2277-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.087
BindingDB Entry DOI: 10.7270/Q2K07497
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%