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PubMed code 20472445

Compile data set for download or QSAR
Found 23 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))
BDBM50320966
PNG
(3-((4-(6-Methylpyridin-2-yl)-5-(quinolin-6-yl)-1H-...)
Show SMILES Cc1cccc(n1)-c1nc(Cc2cccc(c2)C#N)[nH]c1-c1ccc2ncccc2c1
Show InChI InChI=1S/C26H19N5/c1-17-5-2-9-23(29-17)26-25(21-10-11-22-20(15-21)8-4-12-28-22)30-24(31-26)14-18-6-3-7-19(13-18)16-27/h2-13,15H,14H2,1H3,(H,30,31)
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n/an/a 26n/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))
BDBM50320964
PNG
(3-((4-(6-Methylpyridin-2-yl)-5-(quinolin-6-yl)-1H-...)
Show SMILES Cc1cccc(n1)-c1nc(Cc2cccc(c2)C(N)=O)[nH]c1-c1ccc2ncccc2c1
Show InChI InChI=1S/C26H21N5O/c1-16-5-2-9-22(29-16)25-24(19-10-11-21-18(15-19)8-4-12-28-21)30-23(31-25)14-17-6-3-7-20(13-17)26(27)32/h2-13,15H,14H2,1H3,(H2,27,32)(H,30,31)
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n/an/a 34n/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))
BDBM50320954
PNG
(3-((4-(6-Methylpyridin-2-yl)-3-(quinolin-6-yl)-1H-...)
Show SMILES Cc1cccc(n1)-c1cn(Cc2cccc(c2)C#N)nc1-c1ccc2ncccc2c1
Show InChI InChI=1S/C26H19N5/c1-18-5-2-9-25(29-18)23-17-31(16-20-7-3-6-19(13-20)15-27)30-26(23)22-10-11-24-21(14-22)8-4-12-28-24/h2-14,17H,16H2,1H3
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n/an/a 34n/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 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))
BDBM50320953
PNG
(3-((4-(6-Methylpyridin-2-yl)-3-(quinolin-6-yl)-1H-...)
Show SMILES Cc1cccc(n1)-c1cn(Cc2cccc(c2)C(N)=O)nc1-c1ccc2ncccc2c1
Show InChI InChI=1S/C26H21N5O/c1-17-5-2-9-24(29-17)22-16-31(15-18-6-3-7-21(13-18)26(27)32)30-25(22)20-10-11-23-19(14-20)8-4-12-28-23/h2-14,16H,15H2,1H3,(H2,27,32)
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n/an/a 61n/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))
BDBM50320958
PNG
(3-((3-(6-Methylpyridin-2-yl)-4-(quinolin-6-yl)-1H-...)
Show SMILES Cc1cccc(n1)-c1nn(Cc2cccc(c2)C(N)=O)cc1-c1ccc2ncccc2c1
Show InChI InChI=1S/C26H21N5O/c1-17-5-2-9-24(29-17)25-22(19-10-11-23-20(14-19)8-4-12-28-23)16-31(30-25)15-18-6-3-7-21(13-18)26(27)32/h2-14,16H,15H2,1H3,(H2,27,32)
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n/an/a 131n/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))
BDBM50320952
PNG
(6-(2-tert-butyl-5-(6-methylpyridin-2-yl)-1H-imidaz...)
Show SMILES Cc1cccc(n1)-c1nc([nH]c1-c1ccc2nccnc2c1)C(C)(C)C
Show InChI InChI=1S/C21H21N5/c1-13-6-5-7-16(24-13)19-18(25-20(26-19)21(2,3)4)14-8-9-15-17(12-14)23-11-10-22-15/h5-12H,1-4H3,(H,25,26)
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n/an/a 162n/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))
BDBM50298220
PNG
(2-(4-(benzo[d][1,3]dioxol-5-yl)-2-tert-butyl-1H-im...)
Show SMILES Cc1cccc(n1)-c1nc([nH]c1-c1ccc2OCOc2c1)C(C)(C)C
Show InChI InChI=1S/C20H21N3O2/c1-12-6-5-7-14(21-12)18-17(22-19(23-18)20(2,3)4)13-8-9-15-16(10-13)25-11-24-15/h5-10H,11H2,1-4H3,(H,22,23)
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n/an/a 169n/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))
BDBM50320962
PNG
(3-((3-(6-Methylpyridin-2-yl)-4-(quinolin-6-yl)-1H-...)
Show SMILES Cc1cccc(n1)-c1nn(Cc2cccc(c2)C#N)cc1-c1ccc2ncccc2c1
Show InChI InChI=1S/C26H19N5/c1-18-5-2-9-25(29-18)26-23(21-10-11-24-22(14-21)8-4-12-28-24)17-31(30-26)16-20-7-3-6-19(13-20)15-27/h2-14,17H,16H2,1H3
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n/an/a 231n/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))
BDBM50320956
PNG
(3-((3-(6-Methylpyridin-2-yl)-4-(1,5-naphthyridin-2...)
Show SMILES Cc1cccc(n1)-c1nn(Cc2cccc(c2)C(N)=O)cc1-c1ccc2ncccc2n1
Show InChI InChI=1S/C25H20N6O/c1-16-5-2-8-23(28-16)24-19(20-10-11-21-22(29-20)9-4-12-27-21)15-31(30-24)14-17-6-3-7-18(13-17)25(26)32/h2-13,15H,14H2,1H3,(H2,26,32)
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n/an/a 255n/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))
BDBM50320960
PNG
(3-((3-(6-Methylpyridin-2-yl)-4-(1,5-naphthyridin-2...)
Show SMILES Cc1cccc(n1)-c1nn(Cc2cccc(c2)C#N)cc1-c1ccc2ncccc2n1
Show InChI InChI=1S/C25H18N6/c1-17-5-2-8-24(28-17)25-20(21-10-11-22-23(29-21)9-4-12-27-22)16-31(30-25)15-19-7-3-6-18(13-19)14-26/h2-13,16H,15H2,1H3
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n/an/a 318n/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))
BDBM50320964
PNG
(3-((4-(6-Methylpyridin-2-yl)-5-(quinolin-6-yl)-1H-...)
Show SMILES Cc1cccc(n1)-c1nc(Cc2cccc(c2)C(N)=O)[nH]c1-c1ccc2ncccc2c1
Show InChI InChI=1S/C26H21N5O/c1-16-5-2-9-22(29-16)25-24(19-10-11-21-18(15-19)8-4-12-28-21)30-23(31-25)14-17-6-3-7-20(13-17)26(27)32/h2-13,15H,14H2,1H3,(H2,27,32)(H,30,31)
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n/an/a 540n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


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
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50320964
PNG
(3-((4-(6-Methylpyridin-2-yl)-5-(quinolin-6-yl)-1H-...)
Show SMILES Cc1cccc(n1)-c1nc(Cc2cccc(c2)C(N)=O)[nH]c1-c1ccc2ncccc2c1
Show InChI InChI=1S/C26H21N5O/c1-16-5-2-9-22(29-16)25-24(19-10-11-21-18(15-19)8-4-12-28-21)30-23(31-25)14-17-6-3-7-20(13-17)26(27)32/h2-13,15H,14H2,1H3,(H2,27,32)(H,30,31)
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n/an/a 650n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of PKCmu


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
Vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50320964
PNG
(3-((4-(6-Methylpyridin-2-yl)-5-(quinolin-6-yl)-1H-...)
Show SMILES Cc1cccc(n1)-c1nc(Cc2cccc(c2)C(N)=O)[nH]c1-c1ccc2ncccc2c1
Show InChI InChI=1S/C26H21N5O/c1-16-5-2-9-22(29-16)25-24(19-10-11-21-18(15-19)8-4-12-28-21)30-23(31-25)14-17-6-3-7-20(13-17)26(27)32/h2-13,15H,14H2,1H3,(H2,27,32)(H,30,31)
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n/an/a 940n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR3


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
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50320964
PNG
(3-((4-(6-Methylpyridin-2-yl)-5-(quinolin-6-yl)-1H-...)
Show SMILES Cc1cccc(n1)-c1nc(Cc2cccc(c2)C(N)=O)[nH]c1-c1ccc2ncccc2c1
Show InChI InChI=1S/C26H21N5O/c1-16-5-2-9-22(29-16)25-24(19-10-11-21-18(15-19)8-4-12-28-21)30-23(31-25)14-17-6-3-7-20(13-17)26(27)32/h2-13,15H,14H2,1H3,(H2,27,32)(H,30,31)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR1


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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50320964
PNG
(3-((4-(6-Methylpyridin-2-yl)-5-(quinolin-6-yl)-1H-...)
Show SMILES Cc1cccc(n1)-c1nc(Cc2cccc(c2)C(N)=O)[nH]c1-c1ccc2ncccc2c1
Show InChI InChI=1S/C26H21N5O/c1-16-5-2-9-22(29-16)25-24(19-10-11-21-18(15-19)8-4-12-28-21)30-23(31-25)14-17-6-3-7-20(13-17)26(27)32/h2-13,15H,14H2,1H3,(H2,27,32)(H,30,31)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


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))
BDBM50320965
PNG
(3-((5-(6-Methylpyridin-2-yl)-4-(1,5-naphthyridin-2...)
Show SMILES Cc1cccc(n1)-c1[nH]c(Cc2cccc(c2)C#N)nc1-c1ccc2ncccc2n1
Show InChI InChI=1S/C25H18N6/c1-16-5-2-8-21(28-16)24-25(22-11-10-19-20(29-22)9-4-12-27-19)31-23(30-24)14-17-6-3-7-18(13-17)15-26/h2-13H,14H2,1H3,(H,30,31)
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n/an/a 2.25E+3n/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))
BDBM50320963
PNG
(3-((5-(6-Methylpyridin-2-yl)-4-(1,5-naphthyridin-2...)
Show SMILES Cc1cccc(n1)-c1[nH]c(Cc2cccc(c2)C(N)=O)nc1-c1ccc2ncccc2n1
Show InChI InChI=1S/C25H20N6O/c1-15-5-2-8-20(28-15)23-24(21-11-10-18-19(29-21)9-4-12-27-18)31-22(30-23)14-16-6-3-7-17(13-16)25(26)32/h2-13H,14H2,1H3,(H2,26,32)(H,30,31)
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n/an/a 2.60E+3n/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
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM50320964
PNG
(3-((4-(6-Methylpyridin-2-yl)-5-(quinolin-6-yl)-1H-...)
Show SMILES Cc1cccc(n1)-c1nc(Cc2cccc(c2)C(N)=O)[nH]c1-c1ccc2ncccc2c1
Show InChI InChI=1S/C26H21N5O/c1-16-5-2-9-22(29-16)25-24(19-10-11-21-18(15-19)8-4-12-28-21)30-23(31-25)14-17-6-3-7-20(13-17)26(27)32/h2-13,15H,14H2,1H3,(H2,27,32)(H,30,31)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha


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))
BDBM50320957
PNG
(3-((5-(6-Methylpyridin-2-yl)-4-(quinolin-6-yl)-1H-...)
Show SMILES Cc1cccc(n1)-c1c(cnn1Cc1cccc(c1)C(N)=O)-c1ccc2ncccc2c1
Show InChI InChI=1S/C26H21N5O/c1-17-5-2-9-24(30-17)25-22(19-10-11-23-20(14-19)8-4-12-28-23)15-29-31(25)16-18-6-3-7-21(13-18)26(27)32/h2-15H,16H2,1H3,(H2,27,32)
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n/an/a>1.00E+4n/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))
BDBM50320959
PNG
(3-((5-(6-Methylpyridin-2-yl)-4-(1,5-naphthyridin-2...)
Show SMILES Cc1cccc(n1)-c1c(cnn1Cc1cccc(c1)C#N)-c1ccc2ncccc2n1
Show InChI InChI=1S/C25H18N6/c1-17-5-2-8-24(29-17)25-20(21-10-11-22-23(30-21)9-4-12-27-22)15-28-31(25)16-19-7-3-6-18(13-19)14-26/h2-13,15H,16H2,1H3
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n/an/a>1.00E+4n/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))
BDBM50320955
PNG
(3-((5-(6-Methylpyridin-2-yl)-4-(1,5-naphthyridin-2...)
Show SMILES Cc1cccc(n1)-c1c(cnn1Cc1cccc(c1)C(N)=O)-c1ccc2ncccc2n1
Show InChI InChI=1S/C25H20N6O/c1-16-5-2-8-23(29-16)24-19(20-10-11-21-22(30-20)9-4-12-27-21)14-28-31(24)15-17-6-3-7-18(13-17)25(26)32/h2-14H,15H2,1H3,(H2,26,32)
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n/an/a>1.00E+4n/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))
BDBM50320961
PNG
(3-((5-(6-Methylpyridin-2-yl)-4-(quinolin-6-yl)-1H-...)
Show SMILES Cc1cccc(n1)-c1c(cnn1Cc1cccc(c1)C#N)-c1ccc2ncccc2c1
Show InChI InChI=1S/C26H19N5/c1-18-5-2-9-25(30-18)26-23(21-10-11-24-22(14-21)8-4-12-28-24)16-29-31(26)17-20-7-3-6-19(13-20)15-27/h2-14,16H,17H2,1H3
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n/an/a>1.00E+4n/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
* indicates data uncertainty>20%