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Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with Target = 'TGF-beta receptor type-1' and Ligand = 'BDBM50252542'   
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))
BDBM50252542
PNG
(3-((5-(6-methylpyridin-2-yl)-4-(quinoxalin-6-yl)-1...)
Show SMILES Cc1cccc(n1)-c1nc(Cc2cccc(c2)C(N)=O)[nH]c1-c1ccc2nccnc2c1
Show InChI InChI=1S/C25H20N6O/c1-15-4-2-7-20(29-15)24-23(17-8-9-19-21(14-17)28-11-10-27-19)30-22(31-24)13-16-5-3-6-18(12-16)25(26)32/h2-12,14H,13H2,1H3,(H2,26,32)(H,30,31)
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n/an/a 17n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-fused ALK5 expressed in insect Sf9 cells using casein as substrate by radiometric kinase assay


Eur J Med Chem 46: 3917-25 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.063
BindingDB Entry DOI: 10.7270/Q2GT5NKM
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50252542
PNG
(3-((5-(6-methylpyridin-2-yl)-4-(quinoxalin-6-yl)-1...)
Show SMILES Cc1cccc(n1)-c1nc(Cc2cccc(c2)C(N)=O)[nH]c1-c1ccc2nccnc2c1
Show InChI InChI=1S/C25H20N6O/c1-15-4-2-7-20(29-15)24-23(17-8-9-19-21(14-17)28-11-10-27-19)30-22(31-24)13-16-5-3-6-18(12-16)25(26)32/h2-12,14H,13H2,1H3,(H2,26,32)(H,30,31)
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n/an/a 17n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of GST-fused recombinant human ALK5 expressed in baculovirus-infected insect Sf9 cells using casein as substrate by radioisotope-based ass...


Bioorg Med Chem 22: 2724-32 (2014)


Article DOI: 10.1016/j.bmc.2014.03.022
BindingDB Entry DOI: 10.7270/Q2CC1275
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50252542
PNG
(3-((5-(6-methylpyridin-2-yl)-4-(quinoxalin-6-yl)-1...)
Show SMILES Cc1cccc(n1)-c1nc(Cc2cccc(c2)C(N)=O)[nH]c1-c1ccc2nccnc2c1
Show InChI InChI=1S/C25H20N6O/c1-15-4-2-7-20(29-15)24-23(17-8-9-19-21(14-17)28-11-10-27-19)30-22(31-24)13-16-5-3-6-18(12-16)25(26)32/h2-12,14H,13H2,1H3,(H2,26,32)(H,30,31)
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n/an/a 17n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ALK5 expressed in insect Sf9 cells using casein as substrate by radioisotopic assay


J Med Chem 57: 4213-38 (2014)


Article DOI: 10.1021/jm500115w
BindingDB Entry DOI: 10.7270/Q2DV1MFM
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50252542
PNG
(3-((5-(6-methylpyridin-2-yl)-4-(quinoxalin-6-yl)-1...)
Show SMILES Cc1cccc(n1)-c1nc(Cc2cccc(c2)C(N)=O)[nH]c1-c1ccc2nccnc2c1
Show InChI InChI=1S/C25H20N6O/c1-15-4-2-7-20(29-15)24-23(17-8-9-19-21(14-17)28-11-10-27-19)30-22(31-24)13-16-5-3-6-18(12-16)25(26)32/h2-12,14H,13H2,1H3,(H2,26,32)(H,30,31)
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n/an/a 17n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-fused ALK5 expressed in Sf9 cells


Bioorg Med Chem 19: 2633-40 (2011)


Article DOI: 10.1016/j.bmc.2011.03.008
BindingDB Entry DOI: 10.7270/Q2639Q2H
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50252542
PNG
(3-((5-(6-methylpyridin-2-yl)-4-(quinoxalin-6-yl)-1...)
Show SMILES Cc1cccc(n1)-c1nc(Cc2cccc(c2)C(N)=O)[nH]c1-c1ccc2nccnc2c1
Show InChI InChI=1S/C25H20N6O/c1-15-4-2-7-20(29-15)24-23(17-8-9-19-21(14-17)28-11-10-27-19)30-22(31-24)13-16-5-3-6-18(12-16)25(26)32/h2-12,14H,13H2,1H3,(H2,26,32)(H,30,31)
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n/an/a 17.2n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-fused ALK5 expressed in Sf9 cells using casein as a substrate by radioisotopic protein kinase assay


Bioorg Med Chem Lett 21: 6049-53 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.064
BindingDB Entry DOI: 10.7270/Q2PG1SQZ
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50252542
PNG
(3-((5-(6-methylpyridin-2-yl)-4-(quinoxalin-6-yl)-1...)
Show SMILES Cc1cccc(n1)-c1nc(Cc2cccc(c2)C(N)=O)[nH]c1-c1ccc2nccnc2c1
Show InChI InChI=1S/C25H20N6O/c1-15-4-2-7-20(29-15)24-23(17-8-9-19-21(14-17)28-11-10-27-19)30-22(31-24)13-16-5-3-6-18(12-16)25(26)32/h2-12,14H,13H2,1H3,(H2,26,32)(H,30,31)
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n/an/a 20n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of ALK5 in human HaCaT cells assessed as inhibition of TGFbeta1-induced luciferase activity after 24 hrs by luciferase reporter gene assay


J Med Chem 57: 4213-38 (2014)


Article DOI: 10.1021/jm500115w
BindingDB Entry DOI: 10.7270/Q2DV1MFM
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50252542
PNG
(3-((5-(6-methylpyridin-2-yl)-4-(quinoxalin-6-yl)-1...)
Show SMILES Cc1cccc(n1)-c1nc(Cc2cccc(c2)C(N)=O)[nH]c1-c1ccc2nccnc2c1
Show InChI InChI=1S/C25H20N6O/c1-15-4-2-7-20(29-15)24-23(17-8-9-19-21(14-17)28-11-10-27-19)30-22(31-24)13-16-5-3-6-18(12-16)25(26)32/h2-12,14H,13H2,1H3,(H2,26,32)(H,30,31)
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n/an/a 36n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-fused ALK5 expressed in Sf9 cells


Bioorg Med Chem 18: 4459-67 (2010)


Article DOI: 10.1016/j.bmc.2010.04.071
BindingDB Entry DOI: 10.7270/Q2RV0NWK
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50252542
PNG
(3-((5-(6-methylpyridin-2-yl)-4-(quinoxalin-6-yl)-1...)
Show SMILES Cc1cccc(n1)-c1nc(Cc2cccc(c2)C(N)=O)[nH]c1-c1ccc2nccnc2c1
Show InChI InChI=1S/C25H20N6O/c1-15-4-2-7-20(29-15)24-23(17-8-9-19-21(14-17)28-11-10-27-19)30-22(31-24)13-16-5-3-6-18(12-16)25(26)32/h2-12,14H,13H2,1H3,(H2,26,32)(H,30,31)
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n/an/a 480n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha expressed in Escherichia coli using ATF2 as a substrate by radioisotopic protein kinase assay


Bioorg Med Chem 19: 2633-40 (2011)


Article DOI: 10.1016/j.bmc.2011.03.008
BindingDB Entry DOI: 10.7270/Q2639Q2H
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50252542
PNG
(3-((5-(6-methylpyridin-2-yl)-4-(quinoxalin-6-yl)-1...)
Show SMILES Cc1cccc(n1)-c1nc(Cc2cccc(c2)C(N)=O)[nH]c1-c1ccc2nccnc2c1
Show InChI InChI=1S/C25H20N6O/c1-15-4-2-7-20(29-15)24-23(17-8-9-19-21(14-17)28-11-10-27-19)30-22(31-24)13-16-5-3-6-18(12-16)25(26)32/h2-12,14H,13H2,1H3,(H2,26,32)(H,30,31)
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n/an/a 480n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human p38-alpha expressed in Escherichia coli using ATF2 as substrate by radioisotope-based assay


Bioorg Med Chem 22: 2724-32 (2014)


Article DOI: 10.1016/j.bmc.2014.03.022
BindingDB Entry DOI: 10.7270/Q2CC1275
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50252542
PNG
(3-((5-(6-methylpyridin-2-yl)-4-(quinoxalin-6-yl)-1...)
Show SMILES Cc1cccc(n1)-c1nc(Cc2cccc(c2)C(N)=O)[nH]c1-c1ccc2nccnc2c1
Show InChI InChI=1S/C25H20N6O/c1-15-4-2-7-20(29-15)24-23(17-8-9-19-21(14-17)28-11-10-27-19)30-22(31-24)13-16-5-3-6-18(12-16)25(26)32/h2-12,14H,13H2,1H3,(H2,26,32)(H,30,31)
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n/an/a 480n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha expressed in Escherichia coli using ATF2 as substrate by radiometric kinase assay


Eur J Med Chem 46: 3917-25 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.063
BindingDB Entry DOI: 10.7270/Q2GT5NKM
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50252542
PNG
(3-((5-(6-methylpyridin-2-yl)-4-(quinoxalin-6-yl)-1...)
Show SMILES Cc1cccc(n1)-c1nc(Cc2cccc(c2)C(N)=O)[nH]c1-c1ccc2nccnc2c1
Show InChI InChI=1S/C25H20N6O/c1-15-4-2-7-20(29-15)24-23(17-8-9-19-21(14-17)28-11-10-27-19)30-22(31-24)13-16-5-3-6-18(12-16)25(26)32/h2-12,14H,13H2,1H3,(H2,26,32)(H,30,31)
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n/an/a 480n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha expressed in Escherichia coli using ATF2 as a substrate by radioisotopic protein kinase assay


Bioorg Med Chem Lett 21: 6049-53 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.064
BindingDB Entry DOI: 10.7270/Q2PG1SQZ
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50252542
PNG
(3-((5-(6-methylpyridin-2-yl)-4-(quinoxalin-6-yl)-1...)
Show SMILES Cc1cccc(n1)-c1nc(Cc2cccc(c2)C(N)=O)[nH]c1-c1ccc2nccnc2c1
Show InChI InChI=1S/C25H20N6O/c1-15-4-2-7-20(29-15)24-23(17-8-9-19-21(14-17)28-11-10-27-19)30-22(31-24)13-16-5-3-6-18(12-16)25(26)32/h2-12,14H,13H2,1H3,(H2,26,32)(H,30,31)
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n/an/a 480n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha expressed in Escherichia coli using ATF2 as substrate by radioisotopic assay


J Med Chem 57: 4213-38 (2014)


Article DOI: 10.1021/jm500115w
BindingDB Entry DOI: 10.7270/Q2DV1MFM
More data for this
Ligand-Target Pair