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Compile Data Set for Download or QSAR

Found 38 hits from Abbot Laboratories   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
TGF-beta receptor type I


(Homo sapiens)
BDBM50255960
PNG
(4-(6-methylpyridin-2-yl)-5-(quinoxalin-6-yl)thiazo...)
Show SMILES Cc1cccc(n1)-c1nc(N)sc1-c1ccc2nccnc2c1
Show InChI InChI=1S/C17H13N5S/c1-10-3-2-4-13(21-10)15-16(23-17(18)22-15)11-5-6-12-14(9-11)20-8-7-19-12/h2-9H,1H3,(H2,18,22)
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0.330n/an/an/an/an/an/an/an/a



Abbot Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human TGFBR1


Bioorg Med Chem Lett 19: 912-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.119
BindingDB Entry DOI: 10.7270/Q2FX799C
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50255959
PNG
(4-(5-fluoro-6-methylpyridin-2-yl)-5-(quinoxalin-6-...)
Show SMILES Cc1nc(ccc1F)-c1nc(N)[nH]c1-c1ccc2nccnc2c1
Show InChI InChI=1S/C17H13FN6/c1-9-11(18)3-5-13(22-9)16-15(23-17(19)24-16)10-2-4-12-14(8-10)21-7-6-20-12/h2-8H,1H3,(H3,19,23,24)
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0.700n/an/an/an/an/an/an/an/a



Abbot Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human TGFBR1


Bioorg Med Chem Lett 19: 912-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.119
BindingDB Entry DOI: 10.7270/Q2FX799C
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50255228
PNG
(CHEMBL517068 | N-(5-([1,2,4]triazolo[1,5-a]pyridin...)
Show SMILES CC(=O)Nc1nc(c([nH]1)-c1ccc2ncnn2c1)-c1ccc(F)c(C)n1
Show InChI InChI=1S/C17H14FN7O/c1-9-12(18)4-5-13(21-9)16-15(23-17(24-16)22-10(2)26)11-3-6-14-19-8-20-25(14)7-11/h3-8H,1-2H3,(H2,22,23,24,26)
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2.07n/an/an/an/an/an/an/an/a



Abbot Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human TGFBR1


Bioorg Med Chem Lett 19: 912-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.119
BindingDB Entry DOI: 10.7270/Q2FX799C
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50255227
PNG
(CHEMBL450161 | N-(5-([1,2,4]triazolo[1,5-a]pyridin...)
Show SMILES CC(=O)Nc1nc(c([nH]1)-c1ccc2ncnn2c1)-c1cccc(C)n1
Show InChI InChI=1S/C17H15N7O/c1-10-4-3-5-13(20-10)16-15(22-17(23-16)21-11(2)25)12-6-7-14-18-9-19-24(14)8-12/h3-9H,1-2H3,(H2,21,22,23,25)
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2.95n/an/an/an/an/an/an/an/a



Abbot Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human TGFBR1


Bioorg Med Chem Lett 19: 912-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.119
BindingDB Entry DOI: 10.7270/Q2FX799C
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50255958
PNG
(6-(4-(5-fluoro-6-methylpyridin-2-yl)-2-(4-(methyls...)
Show SMILES Cc1nc(ccc1F)-c1nc([nH]c1-c1ccc2ncnn2c1)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C20H21FN8O2S/c1-13-15(21)4-5-16(24-13)19-18(14-3-6-17-22-12-23-29(17)11-14)25-20(26-19)27-7-9-28(10-8-27)32(2,30)31/h3-6,11-12H,7-10H2,1-2H3,(H,25,26)
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3n/an/an/an/an/an/an/an/a



Abbot Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human TGFBR1


Bioorg Med Chem Lett 19: 912-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.119
BindingDB Entry DOI: 10.7270/Q2FX799C
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50255179
PNG
(CHEMBL519939 | N-(4-(5-fluoro-6-methylpyridin-2-yl...)
Show SMILES CC(=O)Nc1nc(c([nH]1)-c1ccc2nccnc2c1)-c1ccc(F)c(C)n1
Show InChI InChI=1S/C19H15FN6O/c1-10-13(20)4-6-15(23-10)18-17(25-19(26-18)24-11(2)27)12-3-5-14-16(9-12)22-8-7-21-14/h3-9H,1-2H3,(H2,24,25,26,27)
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7.10n/an/an/an/an/an/an/an/a



Abbot Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human TGFBR1


Bioorg Med Chem Lett 19: 912-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.119
BindingDB Entry DOI: 10.7270/Q2FX799C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TGF-beta receptor type I


(Homo sapiens)
BDBM50255231
PNG
(CHEMBL479262 | N-(4-(5-fluoro-6-methylpyridin-2-yl...)
Show SMILES COCC(=O)Nc1nc(c([nH]1)-c1ccc2nccnc2c1)-c1ccc(F)c(C)n1
Show InChI InChI=1S/C20H17FN6O2/c1-11-13(21)4-6-15(24-11)19-18(26-20(27-19)25-17(28)10-29-2)12-3-5-14-16(9-12)23-8-7-22-14/h3-9H,10H2,1-2H3,(H2,25,26,27,28)
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7.20n/an/an/an/an/an/an/an/a



Abbot Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human TGFBR1


Bioorg Med Chem Lett 19: 912-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.119
BindingDB Entry DOI: 10.7270/Q2FX799C
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50255230
PNG
(CHEMBL521441 | N-(4-(5-fluoro-6-methylpyridin-2-yl...)
Show SMILES CCC(=O)Nc1nc(c([nH]1)-c1ccc2nccnc2c1)-c1ccc(F)c(C)n1
Show InChI InChI=1S/C20H17FN6O/c1-3-17(28)25-20-26-18(12-4-6-14-16(10-12)23-9-8-22-14)19(27-20)15-7-5-13(21)11(2)24-15/h4-10H,3H2,1-2H3,(H2,25,26,27,28)
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8.80n/an/an/an/an/an/an/an/a



Abbot Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human TGFBR1


Bioorg Med Chem Lett 19: 912-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.119
BindingDB Entry DOI: 10.7270/Q2FX799C
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50255908
PNG
(4-(5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(5-flu...)
Show SMILES Cc1nc(ccc1F)-c1nc([nH]c1-c1ccc2ncnn2c1)N1CCOCC1
Show InChI InChI=1S/C19H18FN7O/c1-12-14(20)3-4-15(23-12)18-17(13-2-5-16-21-11-22-27(16)10-13)24-19(25-18)26-6-8-28-9-7-26/h2-5,10-11H,6-9H2,1H3,(H,24,25)
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15n/an/an/an/an/an/an/an/a



Abbot Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human TGFBR1


Bioorg Med Chem Lett 19: 912-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.119
BindingDB Entry DOI: 10.7270/Q2FX799C
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50255957
PNG
(1-(4-(5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(5-...)
Show SMILES CC(=O)N1CCN(CC1)c1nc(c([nH]1)-c1ccc2ncnn2c1)-c1ccc(F)c(C)n1
Show InChI InChI=1S/C21H21FN8O/c1-13-16(22)4-5-17(25-13)20-19(15-3-6-18-23-12-24-30(18)11-15)26-21(27-20)29-9-7-28(8-10-29)14(2)31/h3-6,11-12H,7-10H2,1-2H3,(H,26,27)
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15.2n/an/an/an/an/an/an/an/a



Abbot Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human TGFBR1


Bioorg Med Chem Lett 19: 912-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.119
BindingDB Entry DOI: 10.7270/Q2FX799C
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50255909
PNG
(6-(4-(5-fluoro-6-methylpyridin-2-yl)-2-(4-methylpi...)
Show SMILES CN1CCN(CC1)c1nc(c([nH]1)-c1ccc2ncnn2c1)-c1ccc(F)c(C)n1
Show InChI InChI=1S/C20H21FN8/c1-13-15(21)4-5-16(24-13)19-18(14-3-6-17-22-12-23-29(17)11-14)25-20(26-19)28-9-7-27(2)8-10-28/h3-6,11-12H,7-10H2,1-2H3,(H,25,26)
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16.4n/an/an/an/an/an/an/an/a



Abbot Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human TGFBR1


Bioorg Med Chem Lett 19: 912-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.119
BindingDB Entry DOI: 10.7270/Q2FX799C
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50255906
PNG
(CHEMBL480731 | N-(4-(5-fluoro-6-methylpyridin-2-yl...)
Show SMILES COCCC(=O)Nc1nc(c([nH]1)-c1ccc2nccnc2c1)-c1ccc(F)c(C)n1
Show InChI InChI=1S/C21H19FN6O2/c1-12-14(22)4-6-16(25-12)20-19(27-21(28-20)26-18(29)7-10-30-2)13-3-5-15-17(11-13)24-9-8-23-15/h3-6,8-9,11H,7,10H2,1-2H3,(H2,26,27,28,29)
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19n/an/an/an/an/an/an/an/a



Abbot Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human TGFBR1


Bioorg Med Chem Lett 19: 912-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.119
BindingDB Entry DOI: 10.7270/Q2FX799C
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50255907
PNG
(6-(4-(5-fluoro-6-methylpyridin-2-yl)-2-(piperidin-...)
Show SMILES Cc1nc(ccc1F)-c1nc([nH]c1-c1ccc2ncnn2c1)N1CCCCC1
Show InChI InChI=1S/C20H20FN7/c1-13-15(21)6-7-16(24-13)19-18(14-5-8-17-22-12-23-28(17)11-14)25-20(26-19)27-9-3-2-4-10-27/h5-8,11-12H,2-4,9-10H2,1H3,(H,25,26)
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53.2n/an/an/an/an/an/an/an/a



Abbot Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human TGFBR1


Bioorg Med Chem Lett 19: 912-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.119
BindingDB Entry DOI: 10.7270/Q2FX799C
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50255229
PNG
(CHEMBL482207 | N-(4-(5-fluoro-6-methylpyridin-2-yl...)
Show SMILES CC(C)C(=O)Nc1nc(c([nH]1)-c1ccc2nccnc2c1)-c1ccc(F)c(C)n1
Show InChI InChI=1S/C21H19FN6O/c1-11(2)20(29)28-21-26-18(13-4-6-15-17(10-13)24-9-8-23-15)19(27-21)16-7-5-14(22)12(3)25-16/h4-11H,1-3H3,(H2,26,27,28,29)
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>2.80E+4n/an/an/an/an/an/an/an/a



Abbot Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human TGFBR1


Bioorg Med Chem Lett 19: 912-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.119
BindingDB Entry DOI: 10.7270/Q2FX799C
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50255959
PNG
(4-(5-fluoro-6-methylpyridin-2-yl)-5-(quinoxalin-6-...)
Show SMILES Cc1nc(ccc1F)-c1nc(N)[nH]c1-c1ccc2nccnc2c1
Show InChI InChI=1S/C17H13FN6/c1-9-11(18)3-5-13(22-9)16-15(23-17(19)24-16)10-2-4-12-14(8-10)21-7-6-20-12/h2-8H,1H3,(H3,19,23,24)
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n/an/a 33.5n/an/an/an/an/an/a



Abbot Laboratories

Curated by ChEMBL


Assay Description
Inhibition of TGFBR1 (unknown origin) transfected in human HepG2 cells after 24 hrs by plasminogen activator inhibitor-luciferase reporter gene assay


Bioorg Med Chem Lett 19: 912-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.119
BindingDB Entry DOI: 10.7270/Q2FX799C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50255959
PNG
(4-(5-fluoro-6-methylpyridin-2-yl)-5-(quinoxalin-6-...)
Show SMILES Cc1nc(ccc1F)-c1nc(N)[nH]c1-c1ccc2nccnc2c1
Show InChI InChI=1S/C17H13FN6/c1-9-11(18)3-5-13(22-9)16-15(23-17(19)24-16)10-2-4-12-14(8-10)21-7-6-20-12/h2-8H,1H3,(H3,19,23,24)
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n/an/a 1.25E+4n/an/an/an/an/an/a



Abbot Laboratories

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin)


Bioorg Med Chem Lett 19: 912-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.119
BindingDB Entry DOI: 10.7270/Q2FX799C
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50255957
PNG
(1-(4-(5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(5-...)
Show SMILES CC(=O)N1CCN(CC1)c1nc(c([nH]1)-c1ccc2ncnn2c1)-c1ccc(F)c(C)n1
Show InChI InChI=1S/C21H21FN8O/c1-13-16(22)4-5-17(25-13)20-19(15-3-6-18-23-12-24-30(18)11-15)26-21(27-20)29-9-7-28(8-10-29)14(2)31/h3-6,11-12H,7-10H2,1-2H3,(H,26,27)
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n/an/an/an/a 1.22E+3n/an/an/an/a



Abbot Laboratories

Curated by ChEMBL


Assay Description
Inhibition of TGFBR1 (unknown origin) transfected in human HepG2 cells after 24 hrs by plasminogen activator inhibitor-luciferase reporter gene assay


Bioorg Med Chem Lett 19: 912-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.119
BindingDB Entry DOI: 10.7270/Q2FX799C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50255909
PNG
(6-(4-(5-fluoro-6-methylpyridin-2-yl)-2-(4-methylpi...)
Show SMILES CN1CCN(CC1)c1nc(c([nH]1)-c1ccc2ncnn2c1)-c1ccc(F)c(C)n1
Show InChI InChI=1S/C20H21FN8/c1-13-15(21)4-5-16(24-13)19-18(14-3-6-17-22-12-23-29(17)11-14)25-20(26-19)28-9-7-27(2)8-10-28/h3-6,11-12H,7-10H2,1-2H3,(H,25,26)
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n/an/an/an/a 1.09E+4n/an/an/an/a



Abbot Laboratories

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin)


Bioorg Med Chem Lett 19: 912-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.119
BindingDB Entry DOI: 10.7270/Q2FX799C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50255230
PNG
(CHEMBL521441 | N-(4-(5-fluoro-6-methylpyridin-2-yl...)
Show SMILES CCC(=O)Nc1nc(c([nH]1)-c1ccc2nccnc2c1)-c1ccc(F)c(C)n1
Show InChI InChI=1S/C20H17FN6O/c1-3-17(28)25-20-26-18(12-4-6-14-16(10-12)23-9-8-22-14)19(27-20)15-7-5-13(21)11(2)24-15/h4-10H,3H2,1-2H3,(H2,25,26,27,28)
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n/an/an/an/a 1.35E+4n/an/an/an/a



Abbot Laboratories

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin)


Bioorg Med Chem Lett 19: 912-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.119
BindingDB Entry DOI: 10.7270/Q2FX799C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50255957
PNG
(1-(4-(5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(5-...)
Show SMILES CC(=O)N1CCN(CC1)c1nc(c([nH]1)-c1ccc2ncnn2c1)-c1ccc(F)c(C)n1
Show InChI InChI=1S/C21H21FN8O/c1-13-16(22)4-5-17(25-13)20-19(15-3-6-18-23-12-24-30(18)11-15)26-21(27-20)29-9-7-28(8-10-29)14(2)31/h3-6,11-12H,7-10H2,1-2H3,(H,26,27)
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n/an/an/an/a 1.42E+4n/an/an/an/a



Abbot Laboratories

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin)


Bioorg Med Chem Lett 19: 912-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.119
BindingDB Entry DOI: 10.7270/Q2FX799C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50255179
PNG
(CHEMBL519939 | N-(4-(5-fluoro-6-methylpyridin-2-yl...)
Show SMILES CC(=O)Nc1nc(c([nH]1)-c1ccc2nccnc2c1)-c1ccc(F)c(C)n1
Show InChI InChI=1S/C19H15FN6O/c1-10-13(20)4-6-15(23-10)18-17(25-19(26-18)24-11(2)27)12-3-5-14-16(9-12)22-8-7-21-14/h3-9H,1-2H3,(H2,24,25,26,27)
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n/an/an/an/a 1.48E+4n/an/an/an/a



Abbot Laboratories

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin)


Bioorg Med Chem Lett 19: 912-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.119
BindingDB Entry DOI: 10.7270/Q2FX799C
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50255908
PNG
(4-(5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(5-flu...)
Show SMILES Cc1nc(ccc1F)-c1nc([nH]c1-c1ccc2ncnn2c1)N1CCOCC1
Show InChI InChI=1S/C19H18FN7O/c1-12-14(20)3-4-15(23-12)18-17(13-2-5-16-21-11-22-27(16)10-13)24-19(25-18)26-6-8-28-9-7-26/h2-5,10-11H,6-9H2,1H3,(H,24,25)
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n/an/an/an/a 513n/an/an/an/a



Abbot Laboratories

Curated by ChEMBL


Assay Description
Inhibition of TGFBR1 (unknown origin) transfected in human HepG2 cells after 24 hrs by plasminogen activator inhibitor-luciferase reporter gene assay


Bioorg Med Chem Lett 19: 912-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.119
BindingDB Entry DOI: 10.7270/Q2FX799C
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50255958
PNG
(6-(4-(5-fluoro-6-methylpyridin-2-yl)-2-(4-(methyls...)
Show SMILES Cc1nc(ccc1F)-c1nc([nH]c1-c1ccc2ncnn2c1)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C20H21FN8O2S/c1-13-15(21)4-5-16(24-13)19-18(14-3-6-17-22-12-23-29(17)11-14)25-20(26-19)27-7-9-28(10-8-27)32(2,30)31/h3-6,11-12H,7-10H2,1-2H3,(H,25,26)
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n/an/an/an/a 414n/an/an/an/a



Abbot Laboratories

Curated by ChEMBL


Assay Description
Inhibition of TGFBR1 (unknown origin) transfected in human HepG2 cells after 24 hrs by plasminogen activator inhibitor-luciferase reporter gene assay


Bioorg Med Chem Lett 19: 912-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.119
BindingDB Entry DOI: 10.7270/Q2FX799C
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50255909
PNG
(6-(4-(5-fluoro-6-methylpyridin-2-yl)-2-(4-methylpi...)
Show SMILES CN1CCN(CC1)c1nc(c([nH]1)-c1ccc2ncnn2c1)-c1ccc(F)c(C)n1
Show InChI InChI=1S/C20H21FN8/c1-13-15(21)4-5-16(24-13)19-18(14-3-6-17-22-12-23-29(17)11-14)25-20(26-19)28-9-7-27(2)8-10-28/h3-6,11-12H,7-10H2,1-2H3,(H,25,26)
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n/an/an/an/a 344n/an/an/an/a



Abbot Laboratories

Curated by ChEMBL


Assay Description
Inhibition of TGFBR1 (unknown origin) transfected in human HepG2 cells after 24 hrs by plasminogen activator inhibitor-luciferase reporter gene assay


Bioorg Med Chem Lett 19: 912-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.119
BindingDB Entry DOI: 10.7270/Q2FX799C
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50255179
PNG
(CHEMBL519939 | N-(4-(5-fluoro-6-methylpyridin-2-yl...)
Show SMILES CC(=O)Nc1nc(c([nH]1)-c1ccc2nccnc2c1)-c1ccc(F)c(C)n1
Show InChI InChI=1S/C19H15FN6O/c1-10-13(20)4-6-15(23-10)18-17(25-19(26-18)24-11(2)27)12-3-5-14-16(9-12)22-8-7-21-14/h3-9H,1-2H3,(H2,24,25,26,27)
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n/an/an/an/a 180n/an/an/an/a



Abbot Laboratories

Curated by ChEMBL


Assay Description
Inhibition of TGFBR1 (unknown origin) transfected in human HepG2 cells after 24 hrs by plasminogen activator inhibitor-luciferase reporter gene assay


Bioorg Med Chem Lett 19: 912-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.119
BindingDB Entry DOI: 10.7270/Q2FX799C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TGF-beta receptor type I


(Homo sapiens)
BDBM50255227
PNG
(CHEMBL450161 | N-(5-([1,2,4]triazolo[1,5-a]pyridin...)
Show SMILES CC(=O)Nc1nc(c([nH]1)-c1ccc2ncnn2c1)-c1cccc(C)n1
Show InChI InChI=1S/C17H15N7O/c1-10-4-3-5-13(20-10)16-15(22-17(23-16)21-11(2)25)12-6-7-14-18-9-19-24(14)8-12/h3-9H,1-2H3,(H2,21,22,23,25)
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n/an/an/an/a 165n/an/an/an/a



Abbot Laboratories

Curated by ChEMBL


Assay Description
Inhibition of TGFBR1 (unknown origin) transfected in human HepG2 cells after 24 hrs by plasminogen activator inhibitor-luciferase reporter gene assay


Bioorg Med Chem Lett 19: 912-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.119
BindingDB Entry DOI: 10.7270/Q2FX799C
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50255230
PNG
(CHEMBL521441 | N-(4-(5-fluoro-6-methylpyridin-2-yl...)
Show SMILES CCC(=O)Nc1nc(c([nH]1)-c1ccc2nccnc2c1)-c1ccc(F)c(C)n1
Show InChI InChI=1S/C20H17FN6O/c1-3-17(28)25-20-26-18(12-4-6-14-16(10-12)23-9-8-22-14)19(27-20)15-7-5-13(21)11(2)24-15/h4-10H,3H2,1-2H3,(H2,25,26,27,28)
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n/an/an/an/a 156n/an/an/an/a



Abbot Laboratories

Curated by ChEMBL


Assay Description
Inhibition of TGFBR1 (unknown origin) transfected in human HepG2 cells after 24 hrs by plasminogen activator inhibitor-luciferase reporter gene assay


Bioorg Med Chem Lett 19: 912-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.119
BindingDB Entry DOI: 10.7270/Q2FX799C
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50255906
PNG
(CHEMBL480731 | N-(4-(5-fluoro-6-methylpyridin-2-yl...)
Show SMILES COCCC(=O)Nc1nc(c([nH]1)-c1ccc2nccnc2c1)-c1ccc(F)c(C)n1
Show InChI InChI=1S/C21H19FN6O2/c1-12-14(22)4-6-16(25-12)20-19(27-21(28-20)26-18(29)7-10-30-2)13-3-5-15-17(11-13)24-9-8-23-15/h3-6,8-9,11H,7,10H2,1-2H3,(H2,26,27,28,29)
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n/an/an/an/a 148n/an/an/an/a



Abbot Laboratories

Curated by ChEMBL


Assay Description
Inhibition of TGFBR1 (unknown origin) transfected in human HepG2 cells after 24 hrs by plasminogen activator inhibitor-luciferase reporter gene assay


Bioorg Med Chem Lett 19: 912-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.119
BindingDB Entry DOI: 10.7270/Q2FX799C
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50255228
PNG
(CHEMBL517068 | N-(5-([1,2,4]triazolo[1,5-a]pyridin...)
Show SMILES CC(=O)Nc1nc(c([nH]1)-c1ccc2ncnn2c1)-c1ccc(F)c(C)n1
Show InChI InChI=1S/C17H14FN7O/c1-9-12(18)4-5-13(21-9)16-15(23-17(24-16)22-10(2)26)11-3-6-14-19-8-20-25(14)7-11/h3-8H,1-2H3,(H2,22,23,24,26)
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n/an/an/an/a 111n/an/an/an/a



Abbot Laboratories

Curated by ChEMBL


Assay Description
Inhibition of TGFBR1 (unknown origin) transfected in human HepG2 cells after 24 hrs by plasminogen activator inhibitor-luciferase reporter gene assay


Bioorg Med Chem Lett 19: 912-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.119
BindingDB Entry DOI: 10.7270/Q2FX799C
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50255960
PNG
(4-(6-methylpyridin-2-yl)-5-(quinoxalin-6-yl)thiazo...)
Show SMILES Cc1cccc(n1)-c1nc(N)sc1-c1ccc2nccnc2c1
Show InChI InChI=1S/C17H13N5S/c1-10-3-2-4-13(21-10)15-16(23-17(18)22-15)11-5-6-12-14(9-11)20-8-7-19-12/h2-9H,1H3,(H2,18,22)
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n/an/an/an/a 80n/an/an/an/a



Abbot Laboratories

Curated by ChEMBL


Assay Description
Inhibition of TGFBR1 (unknown origin) transfected in human HepG2 cells after 24 hrs by plasminogen activator inhibitor-luciferase reporter gene assay


Bioorg Med Chem Lett 19: 912-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.119
BindingDB Entry DOI: 10.7270/Q2FX799C
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50255231
PNG
(CHEMBL479262 | N-(4-(5-fluoro-6-methylpyridin-2-yl...)
Show SMILES COCC(=O)Nc1nc(c([nH]1)-c1ccc2nccnc2c1)-c1ccc(F)c(C)n1
Show InChI InChI=1S/C20H17FN6O2/c1-11-13(21)4-6-15(24-11)19-18(26-20(27-19)25-17(28)10-29-2)12-3-5-14-16(9-12)23-8-7-22-14/h3-9H,10H2,1-2H3,(H2,25,26,27,28)
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n/an/an/an/a 61n/an/an/an/a



Abbot Laboratories

Curated by ChEMBL


Assay Description
Inhibition of TGFBR1 (unknown origin) transfected in human HepG2 cells after 24 hrs by plasminogen activator inhibitor-luciferase reporter gene assay


Bioorg Med Chem Lett 19: 912-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.119
BindingDB Entry DOI: 10.7270/Q2FX799C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50255227
PNG
(CHEMBL450161 | N-(5-([1,2,4]triazolo[1,5-a]pyridin...)
Show SMILES CC(=O)Nc1nc(c([nH]1)-c1ccc2ncnn2c1)-c1cccc(C)n1
Show InChI InChI=1S/C17H15N7O/c1-10-4-3-5-13(20-10)16-15(22-17(23-16)21-11(2)25)12-6-7-14-18-9-19-24(14)8-12/h3-9H,1-2H3,(H2,21,22,23,25)
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n/an/an/an/a 5.78E+4n/an/an/an/a



Abbot Laboratories

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin)


Bioorg Med Chem Lett 19: 912-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.119
BindingDB Entry DOI: 10.7270/Q2FX799C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50255908
PNG
(4-(5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(5-flu...)
Show SMILES Cc1nc(ccc1F)-c1nc([nH]c1-c1ccc2ncnn2c1)N1CCOCC1
Show InChI InChI=1S/C19H18FN7O/c1-12-14(20)3-4-15(23-12)18-17(13-2-5-16-21-11-22-27(16)10-13)24-19(25-18)26-6-8-28-9-7-26/h2-5,10-11H,6-9H2,1H3,(H,24,25)
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n/an/an/an/a 4.63E+4n/an/an/an/a



Abbot Laboratories

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin)


Bioorg Med Chem Lett 19: 912-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.119
BindingDB Entry DOI: 10.7270/Q2FX799C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50255958
PNG
(6-(4-(5-fluoro-6-methylpyridin-2-yl)-2-(4-(methyls...)
Show SMILES Cc1nc(ccc1F)-c1nc([nH]c1-c1ccc2ncnn2c1)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C20H21FN8O2S/c1-13-15(21)4-5-16(24-13)19-18(14-3-6-17-22-12-23-29(17)11-14)25-20(26-19)27-7-9-28(10-8-27)32(2,30)31/h3-6,11-12H,7-10H2,1-2H3,(H,25,26)
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n/an/an/an/a 4.12E+4n/an/an/an/a



Abbot Laboratories

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin)


Bioorg Med Chem Lett 19: 912-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.119
BindingDB Entry DOI: 10.7270/Q2FX799C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50255228
PNG
(CHEMBL517068 | N-(5-([1,2,4]triazolo[1,5-a]pyridin...)
Show SMILES CC(=O)Nc1nc(c([nH]1)-c1ccc2ncnn2c1)-c1ccc(F)c(C)n1
Show InChI InChI=1S/C17H14FN7O/c1-9-12(18)4-5-13(21-9)16-15(23-17(24-16)22-10(2)26)11-3-6-14-19-8-20-25(14)7-11/h3-8H,1-2H3,(H2,22,23,24,26)
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n/an/an/an/a 2.81E+4n/an/an/an/a



Abbot Laboratories

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin)


Bioorg Med Chem Lett 19: 912-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.119
BindingDB Entry DOI: 10.7270/Q2FX799C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50255960
PNG
(4-(6-methylpyridin-2-yl)-5-(quinoxalin-6-yl)thiazo...)
Show SMILES Cc1cccc(n1)-c1nc(N)sc1-c1ccc2nccnc2c1
Show InChI InChI=1S/C17H13N5S/c1-10-3-2-4-13(21-10)15-16(23-17(18)22-15)11-5-6-12-14(9-11)20-8-7-19-12/h2-9H,1H3,(H2,18,22)
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n/an/an/an/a 2.20E+4n/an/an/an/a



Abbot Laboratories

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin)


Bioorg Med Chem Lett 19: 912-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.119
BindingDB Entry DOI: 10.7270/Q2FX799C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50255906
PNG
(CHEMBL480731 | N-(4-(5-fluoro-6-methylpyridin-2-yl...)
Show SMILES COCCC(=O)Nc1nc(c([nH]1)-c1ccc2nccnc2c1)-c1ccc(F)c(C)n1
Show InChI InChI=1S/C21H19FN6O2/c1-12-14(22)4-6-16(25-12)20-19(27-21(28-20)26-18(29)7-10-30-2)13-3-5-15-17(11-13)24-9-8-23-15/h3-6,8-9,11H,7,10H2,1-2H3,(H2,26,27,28,29)
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n/an/an/an/a 1.48E+4n/an/an/an/a



Abbot Laboratories

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin)


Bioorg Med Chem Lett 19: 912-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.119
BindingDB Entry DOI: 10.7270/Q2FX799C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50255231
PNG
(CHEMBL479262 | N-(4-(5-fluoro-6-methylpyridin-2-yl...)
Show SMILES COCC(=O)Nc1nc(c([nH]1)-c1ccc2nccnc2c1)-c1ccc(F)c(C)n1
Show InChI InChI=1S/C20H17FN6O2/c1-11-13(21)4-6-15(24-11)19-18(26-20(27-19)25-17(28)10-29-2)12-3-5-14-16(9-12)23-8-7-22-14/h3-9H,10H2,1-2H3,(H2,25,26,27,28)
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n/an/an/an/a 1.50E+4n/an/an/an/a



Abbot Laboratories

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin)


Bioorg Med Chem Lett 19: 912-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.119
BindingDB Entry DOI: 10.7270/Q2FX799C
More data for this
Ligand-Target Pair