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Compile Data Set for Download or QSAR

Found 1123 hits of ic50 data for polymerid = 4371   
Target
(Institution)
LigandTarget
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)
BDBM50355198
PNG
(CHEMBL1835530)
Show SMILES COc1ccc(NC(=S)n2cc(c(n2)-c2cccc(C)n2)-c2ccc3ncnn3c2)cc1
Show InChI InChI=1S/C23H19N7OS/c1-15-4-3-5-20(26-15)22-19(16-6-11-21-24-14-25-29(21)12-16)13-30(28-22)23(32)27-17-7-9-18(31-2)10-8-17/h3-14H,1-2H3,(H,27,32)
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n/an/a 0.570n/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)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50382322
PNG
(CHEMBL2024689)
Show SMILES CCc1cc(-c2ccc3ncn(C)c(=O)c3c2)n(n1)-c1cccc(C)n1
Show InChI InChI=1S/C20H19N5O/c1-4-15-11-18(25(23-15)19-7-5-6-13(2)22-19)14-8-9-17-16(10-14)20(26)24(3)12-21-17/h5-12H,4H2,1-3H3
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n/an/a 1n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK5


Bioorg Med Chem Lett 22: 3392-7 (2012)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50329791
PNG
((Z)-3-((4-(N-(2-(dimethylamino)ethyl)methylsulfona...)
Show SMILES CCNC(=O)c1ccc2C(C(=Nc3ccc(cc3)N(CCN(C)C)S(C)(=O)=O)c3ccccc3)C(=O)Nc2c1
Show InChI InChI=1S/C29H33N5O4S/c1-5-30-28(35)21-11-16-24-25(19-21)32-29(36)26(24)27(20-9-7-6-8-10-20)31-22-12-14-23(15-13-22)34(39(4,37)38)18-17-33(2)3/h6-16,19,26H,5,17-18H2,1-4H3,(H,30,35)(H,32,36)
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n/an/a 1n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co KG

Curated by ChEMBL


Assay Description
Inhibition of TGFbeta receptor


J Med Chem 53: 7287-95 (2010)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50382321
PNG
(CHEMBL2024688)
Show SMILES Cc1cnn(c1-c1ccc2nc[nH]c(=O)c2c1)-c1cccc(C)n1
Show InChI InChI=1S/C18H15N5O/c1-11-9-21-23(16-5-3-4-12(2)22-16)17(11)13-6-7-15-14(8-13)18(24)20-10-19-15/h3-10H,1-2H3,(H,19,20,24)
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n/an/a 1n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK5


Bioorg Med Chem Lett 22: 3392-7 (2012)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50132988
PNG
(4-[3-(6-Bromo-pyridin-2-yl)-1H-pyrazol-4-yl]-quino...)
Show SMILES Brc1cccc(n1)-c1n[nH]cc1-c1ccnc2ccccc12
Show InChI InChI=1S/C17H11BrN4/c18-16-7-3-6-15(21-16)17-13(10-20-22-17)11-8-9-19-14-5-2-1-4-12(11)14/h1-10H,(H,20,22)
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n/an/a 1.20n/an/an/an/an/an/a



The Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of transforming growth factor- beta dependent luciferase growth in mouse fibroblasts (NIH 3T3)


J Med Chem 46: 3953-6 (2003)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50015959
PNG
(CHEMBL3260904)
Show SMILES CN(C)c1ccc(cc1NCc1nc(c([nH]1)-c1cccc(C)n1)-c1ccc2ncnn2c1)C#N
Show InChI InChI=1S/C25H23N9/c1-16-5-4-6-19(30-16)25-24(18-8-10-23-28-15-29-34(23)14-18)31-22(32-25)13-27-20-11-17(12-26)7-9-21(20)33(2)3/h4-11,14-15,27H,13H2,1-3H3,(H,31,32)
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n/an/a 1.30n/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)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50382324
PNG
(CHEMBL2024691)
Show SMILES CCc1cnn(c1-c1ccc2nc[nH]c(=O)c2c1)-c1cccc(C)n1
Show InChI InChI=1S/C19H17N5O/c1-3-13-10-22-24(17-6-4-5-12(2)23-17)18(13)14-7-8-16-15(9-14)19(25)21-11-20-16/h4-11H,3H2,1-2H3,(H,20,21,25)
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n/an/a 2n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK5


Bioorg Med Chem Lett 22: 3392-7 (2012)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50355189
PNG
(CHEMBL1835622)
Show SMILES Cc1cccc(n1)-c1nn(cc1-c1ccc2ncnn2c1)C(=S)Nc1ccc(F)c(F)c1
Show InChI InChI=1S/C22H15F2N7S/c1-13-3-2-4-19(27-13)21-16(14-5-8-20-25-12-26-30(20)10-14)11-31(29-21)22(32)28-15-6-7-17(23)18(24)9-15/h2-12H,1H3,(H,28,32)
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n/an/a 2.12n/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)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50355206
PNG
(CHEMBL1835522)
Show SMILES COc1cccc(NC(=S)n2cc(c(n2)-c2cccc(C)n2)-c2ccc3ncnn3c2)c1
Show InChI InChI=1S/C23H19N7OS/c1-15-5-3-8-20(26-15)22-19(16-9-10-21-24-14-25-29(21)12-16)13-30(28-22)23(32)27-17-6-4-7-18(11-17)31-2/h3-14H,1-2H3,(H,27,32)
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n/an/a 2.26n/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 using casein as a substrate by radioisotopic protein kinase assay


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

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50355209
PNG
(CHEMBL1835519)
Show SMILES Cc1cccc(n1)-c1nn(cc1-c1ccc2ncnn2c1)C(=S)Nc1cccc(Cl)c1
Show InChI InChI=1S/C22H16ClN7S/c1-14-4-2-7-19(26-14)21-18(15-8-9-20-24-13-25-29(20)11-15)12-30(28-21)22(31)27-17-6-3-5-16(23)10-17/h2-13H,1H3,(H,27,31)
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n/an/a 2.37n/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)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50015952
PNG
(CHEMBL3260897)
Show SMILES CN(C)Cc1c(NCc2nc(c([nH]2)-c2cccc(C)n2)-c2ccc3ncnn3c2)cccc1C#N
Show InChI InChI=1S/C26H25N9/c1-17-6-4-9-22(31-17)26-25(19-10-11-24-29-16-30-35(24)14-19)32-23(33-26)13-28-21-8-5-7-18(12-27)20(21)15-34(2)3/h4-11,14,16,28H,13,15H2,1-3H3,(H,32,33)
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n/an/a 2.40n/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)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50355181
PNG
(CHEMBL1835630)
Show SMILES COc1cc(NC(=S)n2cc(c(n2)-c2cccc(C)n2)-c2ccc3ncnn3c2)cc(OC)c1
Show InChI InChI=1S/C24H21N7O2S/c1-15-5-4-6-21(27-15)23-20(16-7-8-22-25-14-26-30(22)12-16)13-31(29-23)24(34)28-17-9-18(32-2)11-19(10-17)33-3/h4-14H,1-3H3,(H,28,34)
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n/an/a 2.49n/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)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50015955
PNG
(CHEMBL3260900)
Show SMILES CN(C)c1cc(NCc2nc(c([nH]2)-c2cccc(C)n2)-c2ccc3ncnn3c2)cc(c1)C#N
Show InChI InChI=1S/C25H23N9/c1-16-5-4-6-21(30-16)25-24(18-7-8-23-28-15-29-34(23)14-18)31-22(32-25)13-27-19-9-17(12-26)10-20(11-19)33(2)3/h4-11,14-15,27H,13H2,1-3H3,(H,31,32)
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n/an/a 2.60n/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)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50402166
PNG
(CHEMBL2207988)
Show SMILES Cc1csc(n1)-c1[nH]cnc1-c1ccc2ncsc2c1
Show InChI InChI=1S/C14H10N4S2/c1-8-5-19-14(18-8)13-12(15-6-16-13)9-2-3-10-11(4-9)20-7-17-10/h2-7H,1H3,(H,15,16)
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n/an/a 2.70n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ALK5 using GST-tagged Smad3 as substrate assessed as substrate phosphorylation after 30 mins by ELISA


Bioorg Med Chem 20: 7128-38 (2012)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50355175
PNG
(CHEMBL1835112)
Show SMILES Cc1cccc(n1)-c1nn(cc1-c1ccc2ncnn2c1)C(=S)Nc1ccccc1
Show InChI InChI=1S/C22H17N7S/c1-15-6-5-9-19(25-15)21-18(16-10-11-20-23-14-24-28(20)12-16)13-29(27-21)22(30)26-17-7-3-2-4-8-17/h2-14H,1H3,(H,26,30)
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n/an/a 2.82n/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)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50355193
PNG
(CHEMBL1835535)
Show SMILES Cc1cccc(n1)-c1nn(cc1-c1ccc2ncnn2c1)C(=S)Nc1ccccc1Cl
Show InChI InChI=1S/C22H16ClN7S/c1-14-5-4-8-19(26-14)21-16(15-9-10-20-24-13-25-29(20)11-15)12-30(28-21)22(31)27-18-7-3-2-6-17(18)23/h2-13H,1H3,(H,27,31)
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n/an/a 2.83n/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)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50132989
PNG
(4-[3-(6-Methyl-pyridin-2-yl)-1H-pyrazol-4-yl]-quin...)
Show SMILES Cc1cccc(n1)-c1n[nH]cc1-c1ccnc2ccccc12
Show InChI InChI=1S/C18H14N4/c1-12-5-4-8-17(21-12)18-15(11-20-22-18)13-9-10-19-16-7-3-2-6-14(13)16/h2-11H,1H3,(H,20,22)
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n/an/a 2.90n/an/an/an/an/an/a



The Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of transforming growth factor- beta dependent luciferase production in mink lung cells (p3TP Lux)


J Med Chem 46: 3953-6 (2003)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50015946
PNG
(CHEMBL3260627)
Show SMILES CN(C)c1ccc(F)c(NCc2nc(c([nH]2)-c2cccc(C)n2)-c2ccc3ncnn3c2)c1
Show InChI InChI=1S/C24H23FN8/c1-15-5-4-6-19(29-15)24-23(16-7-10-22-27-14-28-33(22)13-16)30-21(31-24)12-26-20-11-17(32(2)3)8-9-18(20)25/h4-11,13-14,26H,12H2,1-3H3,(H,30,31)
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n/an/a 2.90n/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)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50132988
PNG
(4-[3-(6-Bromo-pyridin-2-yl)-1H-pyrazol-4-yl]-quino...)
Show SMILES Brc1cccc(n1)-c1n[nH]cc1-c1ccnc2ccccc12
Show InChI InChI=1S/C17H11BrN4/c18-16-7-3-6-15(21-16)17-13(10-20-22-17)11-8-9-19-14-5-2-1-4-12(11)14/h1-10H,(H,20,22)
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n/an/a 2.90n/an/an/an/an/an/a



The Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of transforming growth factor- beta dependent luciferase production in mink lung cells (p3TP Lux)


J Med Chem 46: 3953-6 (2003)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50355196
PNG
(CHEMBL1835532)
Show SMILES Cc1cccc(n1)-c1nn(cc1-c1ccc2ncnn2c1)C(=S)Nc1ccc(cc1)C#N
Show InChI InChI=1S/C23H16N8S/c1-15-3-2-4-20(27-15)22-19(17-7-10-21-25-14-26-30(21)12-17)13-31(29-22)23(32)28-18-8-5-16(11-24)6-9-18/h2-10,12-14H,1H3,(H,28,32)
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n/an/a 2.95n/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)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50329793
PNG
((Z)-3-((4-(N-(2-(dimethylamino)ethyl)acetamido)phe...)
Show SMILES CCNC(=O)c1ccc2C(C(=Nc3ccc(cc3)N(CCN(C)C)C(C)=O)c3ccccc3)C(=O)Nc2c1
Show InChI InChI=1S/C30H33N5O3/c1-5-31-29(37)22-11-16-25-26(19-22)33-30(38)27(25)28(21-9-7-6-8-10-21)32-23-12-14-24(15-13-23)35(20(2)36)18-17-34(3)4/h6-16,19,27H,5,17-18H2,1-4H3,(H,31,37)(H,33,38)
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n/an/a 3n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co KG

Curated by ChEMBL


Assay Description
Inhibition of TGFbeta receptor


J Med Chem 53: 7287-95 (2010)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50329795
PNG
((Z)-3-((4-(N-(3-(dimethylamino)propyl)acetamido)ph...)
Show SMILES CCNC(=O)c1ccc2C(C(=Nc3ccc(cc3)N(CCCN(C)C)C(C)=O)c3ccccc3)C(=O)Nc2c1
Show InChI InChI=1S/C31H35N5O3/c1-5-32-30(38)23-12-17-26-27(20-23)34-31(39)28(26)29(22-10-7-6-8-11-22)33-24-13-15-25(16-14-24)36(21(2)37)19-9-18-35(3)4/h6-8,10-17,20,28H,5,9,18-19H2,1-4H3,(H,32,38)(H,34,39)
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n/an/a 3n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co KG

Curated by ChEMBL


Assay Description
Inhibition of TGFbeta receptor


J Med Chem 53: 7287-95 (2010)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50382320
PNG
(CHEMBL2024687)
Show SMILES Cc1cc(-c2ccc3ncn(C)c(=O)c3c2)n(n1)-c1cccc(C)n1
Show InChI InChI=1S/C19H17N5O/c1-12-5-4-6-18(21-12)24-17(9-13(2)22-24)14-7-8-16-15(10-14)19(25)23(3)11-20-16/h4-11H,1-3H3
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n/an/a 3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK5


Bioorg Med Chem Lett 22: 3392-7 (2012)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50355207
PNG
(CHEMBL1835521)
Show SMILES Cc1cccc(n1)-c1nn(cc1-c1ccc2ncnn2c1)C(=S)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H16F3N7S/c1-14-4-2-7-19(29-14)21-18(15-8-9-20-27-13-28-32(20)11-15)12-33(31-21)22(34)30-17-6-3-5-16(10-17)23(24,25)26/h2-13H,1H3,(H,30,34)
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n/an/a 3.01n/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)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50355199
PNG
(CHEMBL1835529)
Show SMILES Cc1cccc(n1)-c1nn(cc1-c1ccc2ncnn2c1)C(=S)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H16F3N7S/c1-14-3-2-4-19(29-14)21-18(15-5-10-20-27-13-28-32(20)11-15)12-33(31-21)22(34)30-17-8-6-16(7-9-17)23(24,25)26/h2-13H,1H3,(H,30,34)
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n/an/a 3.04n/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)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50015960
PNG
(CHEMBL3260905)
Show SMILES CN(C)Cc1ccc(cc1NCc1nc(c([nH]1)-c1cccc(C)n1)-c1ccc2ncnn2c1)C#N
Show InChI InChI=1S/C26H25N9/c1-17-5-4-6-21(31-17)26-25(20-9-10-24-29-16-30-35(24)15-20)32-23(33-26)13-28-22-11-18(12-27)7-8-19(22)14-34(2)3/h4-11,15-16,28H,13-14H2,1-3H3,(H,32,33)
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n/an/a 3.10n/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)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50204832
PNG
(4-(2-(5-bromo-2-fluorophenyl)pteridin-4-ylamino)-N...)
Show SMILES Fc1ccc(Br)cc1-c1nc(Nc2ccncc2C(=O)NCCCN2CCCC2=O)c2nccnc2n1
Show InChI InChI=1S/C25H22BrFN8O2/c26-15-4-5-18(27)16(13-15)22-33-23-21(29-9-10-30-23)24(34-22)32-19-6-8-28-14-17(19)25(37)31-7-2-12-35-11-1-3-20(35)36/h4-6,8-10,13-14H,1-3,7,11-12H2,(H,31,37)(H,28,30,32,33,34)
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n/an/a 3.20n/an/an/an/an/an/a



Tibotec BVBA

Curated by ChEMBL


Assay Description
Inhibition of TGFBR1


Bioorg Med Chem Lett 17: 1843-9 (2007)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50355188
PNG
(CHEMBL1835623)
Show SMILES Cc1cccc(n1)-c1nn(cc1-c1ccc2ncnn2c1)C(=S)Nc1cc(F)cc(F)c1
Show InChI InChI=1S/C22H15F2N7S/c1-13-3-2-4-19(27-13)21-18(14-5-6-20-25-12-26-30(20)10-14)11-31(29-21)22(32)28-17-8-15(23)7-16(24)9-17/h2-12H,1H3,(H,28,32)
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n/an/a 3.20n/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)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50015958
PNG
(CHEMBL3260903)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2cc(CN3CCOCC3)cc(c2)C#N)nc1-c1ccc2ncnn2c1
Show InChI InChI=1S/C28H27N9O/c1-19-3-2-4-24(33-19)28-27(22-5-6-26-31-18-32-37(26)17-22)34-25(35-28)15-30-23-12-20(14-29)11-21(13-23)16-36-7-9-38-10-8-36/h2-6,11-13,17-18,30H,7-10,15-16H2,1H3,(H,34,35)
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n/an/a 3.30n/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)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50355197
PNG
(CHEMBL1835531)
Show SMILES Cc1cccc(n1)-c1nn(cc1-c1ccc2ncnn2c1)C(=S)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C23H16F3N7OS/c1-14-3-2-4-19(29-14)21-18(15-5-10-20-27-13-28-32(20)11-15)12-33(31-21)22(35)30-16-6-8-17(9-7-16)34-23(24,25)26/h2-13H,1H3,(H,30,35)
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n/an/a 3.30n/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)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50355203
PNG
(CHEMBL1835525)
Show SMILES Cc1cccc(n1)-c1nn(cc1-c1ccc2ncnn2c1)C(=S)Nc1cccc(c1)C(N)=O
Show InChI InChI=1S/C23H18N8OS/c1-14-4-2-7-19(27-14)21-18(16-8-9-20-25-13-26-30(20)11-16)12-31(29-21)23(33)28-17-6-3-5-15(10-17)22(24)32/h2-13H,1H3,(H2,24,32)(H,28,33)
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n/an/a 3.45n/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)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50355185
PNG
(CHEMBL1835626)
Show SMILES Cc1cccc(n1)-c1nn(cc1-c1ccc2ncnn2c1)C(=S)Nc1ccc(C)c(C)c1
Show InChI InChI=1S/C24H21N7S/c1-15-7-9-19(11-16(15)2)28-24(32)31-13-20(18-8-10-22-25-14-26-30(22)12-18)23(29-31)21-6-4-5-17(3)27-21/h4-14H,1-3H3,(H,28,32)
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n/an/a 3.54n/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)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50355187
PNG
(CHEMBL1835624)
Show SMILES Cc1cccc(n1)-c1nn(cc1-c1ccc2ncnn2c1)C(=S)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H15Cl2N7S/c1-13-3-2-4-19(27-13)21-16(14-5-8-20-25-12-26-30(20)10-14)11-31(29-21)22(32)28-15-6-7-17(23)18(24)9-15/h2-12H,1H3,(H,28,32)
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n/an/a 3.78n/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)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50355201
PNG
(CHEMBL1835527)
Show SMILES Cc1cccc(n1)-c1nn(cc1-c1ccc2ncnn2c1)C(=S)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C22H16ClN7S/c1-14-3-2-4-19(26-14)21-18(15-5-10-20-24-13-25-29(20)11-15)12-30(28-21)22(31)27-17-8-6-16(23)7-9-17/h2-13H,1H3,(H,27,31)
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n/an/a 3.87n/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)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50355184
PNG
(CHEMBL1835627)
Show SMILES Cc1cc(C)cc(NC(=S)n2cc(c(n2)-c2cccc(C)n2)-c2ccc3ncnn3c2)c1
Show InChI InChI=1S/C24H21N7S/c1-15-9-16(2)11-19(10-15)28-24(32)31-13-20(18-7-8-22-25-14-26-30(22)12-18)23(29-31)21-6-4-5-17(3)27-21/h4-14H,1-3H3,(H,28,32)
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n/an/a 3.97n/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)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50355190
PNG
(CHEMBL1835621)
Show SMILES Cc1cccc(n1)-c1nn(cc1-c1ccc2ncnn2c1)C(=S)Nc1ccccc1OC(F)(F)F
Show InChI InChI=1S/C23H16F3N7OS/c1-14-5-4-7-18(29-14)21-16(15-9-10-20-27-13-28-32(20)11-15)12-33(31-21)22(35)30-17-6-2-3-8-19(17)34-23(24,25)26/h2-13H,1H3,(H,30,35)
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n/an/a 3.98n/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)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50355208
PNG
(CHEMBL1835520)
Show SMILES Cc1cccc(NC(=S)n2cc(c(n2)-c2cccc(C)n2)-c2ccc3ncnn3c2)c1
Show InChI InChI=1S/C23H19N7S/c1-15-5-3-7-18(11-15)27-23(31)30-13-19(17-9-10-21-24-14-25-29(21)12-17)22(28-30)20-8-4-6-16(2)26-20/h3-14H,1-2H3,(H,27,31)
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n/an/a 3.98n/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)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50151347
PNG
(2-(3-(6-methylpyridin-2-yl)-1H-pyrazol-4-yl)-1,5-n...)
Show SMILES Cc1cccc(n1)-c1n[nH]cc1-c1ccc2ncccc2n1
Show InChI InChI=1S/C17H13N5/c1-11-4-2-5-16(20-11)17-12(10-19-22-17)13-7-8-14-15(21-13)6-3-9-18-14/h2-10H,1H3,(H,19,22)
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n/an/a 4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant Activin A receptor type II-like kinase (ALK5) expressed in baculovirus/Sf9 cells


J Med Chem 47: 4494-506 (2004)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50382319
PNG
(CHEMBL2024686)
Show SMILES Cc1cnn(c1-c1ccc2ncn(C)c(=O)c2c1)-c1cccc(C)n1
Show InChI InChI=1S/C19H17N5O/c1-12-10-21-24(17-6-4-5-13(2)22-17)18(12)14-7-8-16-15(9-14)19(25)23(3)11-20-16/h4-11H,1-3H3
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n/an/a 4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK5


Bioorg Med Chem Lett 22: 3392-7 (2012)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50382318
PNG
(CHEMBL2024685)
Show SMILES Cc1cccc(n1)-n1nccc1-c1ccc2ncn(C=C)c(=O)c2c1
Show InChI InChI=1S/C19H15N5O/c1-3-23-12-20-16-8-7-14(11-15(16)19(23)25)17-9-10-21-24(17)18-6-4-5-13(2)22-18/h3-12H,1H2,2H3
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n/an/a 4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK5


Bioorg Med Chem Lett 22: 3392-7 (2012)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50151347
PNG
(2-(3-(6-methylpyridin-2-yl)-1H-pyrazol-4-yl)-1,5-n...)
Show SMILES Cc1cccc(n1)-c1n[nH]cc1-c1ccc2ncccc2n1
Show InChI InChI=1S/C17H13N5/c1-11-4-2-5-16(20-11)17-12(10-19-22-17)13-7-8-14-15(21-13)6-3-9-18-14/h2-10H,1H3,(H,19,22)
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n/an/a 4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of TGFR1


Eur J Med Chem 44: 4259-65 (2009)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50355192
PNG
(CHEMBL1835536)
Show SMILES Cc1cccc(n1)-c1nn(cc1-c1ccc2ncnn2c1)C(=S)Nc1ccccc1C
Show InChI InChI=1S/C23H19N7S/c1-15-6-3-4-8-19(15)27-23(31)30-13-18(17-10-11-21-24-14-25-29(21)12-17)22(28-30)20-9-5-7-16(2)26-20/h3-14H,1-2H3,(H,27,31)
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n/an/a 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 using casein as a substrate by radioisotopic protein kinase assay


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

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM35948
PNG
(4-pyridinoxy-2-anilinopyridine-based compound, 12)
Show SMILES COc1cccc(Nc2cc(Oc3cc(C)c(C)nc3-c3ccccn3)ccn2)c1
Show InChI InChI=1S/C24H22N4O2/c1-16-13-22(24(27-17(16)2)21-9-4-5-11-25-21)30-20-10-12-26-23(15-20)28-18-7-6-8-19(14-18)29-3/h4-15H,1-3H3,(H,26,28)
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n/an/a 4n/a 32n/an/a7.423



AstraZeneca



Assay Description
A fluorescence polarization assay was used to assess the ALK5 binding capacity and biochemical activity of compounds. ALK5 protein was added to each ...


J Med Chem 52: 7901-5 (2009)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50355202
PNG
(CHEMBL1835526)
Show SMILES Cc1cccc(n1)-c1nn(cc1-c1ccc2ncnn2c1)C(=S)Nc1ccc(F)cc1
Show InChI InChI=1S/C22H16FN7S/c1-14-3-2-4-19(26-14)21-18(15-5-10-20-24-13-25-29(20)11-15)12-30(28-21)22(31)27-17-8-6-16(23)7-9-17/h2-13H,1H3,(H,27,31)
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n/an/a 4.09n/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)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50355183
PNG
(CHEMBL1835628)
Show SMILES Cc1cccc(n1)-c1nn(cc1-c1ccc2ncnn2c1)C(=S)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H15F6N7S/c1-13-3-2-4-19(33-13)21-18(14-5-6-20-31-12-32-36(20)10-14)11-37(35-21)22(38)34-17-8-15(23(25,26)27)7-16(9-17)24(28,29)30/h2-12H,1H3,(H,34,38)
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n/an/a 4.12n/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)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM172452
PNG
(US9090625, 4 | US9260450, 4)
Show SMILES CCc1cnn(c1-c1cc2cnccc2s1)-c1cccc(C)n1
Show InChI InChI=1S/C18H16N4S/c1-3-13-11-20-22(17-6-4-5-12(2)21-17)18(13)16-9-14-10-19-8-7-15(14)23-16/h4-11H,3H2,1-2H3
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US Patent
n/an/a 4.33n/an/an/an/an/an/a



THESAN PHARMACEUTICALS, INC.

US Patent


Assay Description
Pharmacol 2002, 62 58-62) The compounds named in the specified Examples were tested as follows for inhibition of ALK-5 autophosphorylation activity a...


US Patent US9090625 (2015)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM172452
PNG
(US9090625, 4 | US9260450, 4)
Show SMILES CCc1cnn(c1-c1cc2cnccc2s1)-c1cccc(C)n1
Show InChI InChI=1S/C18H16N4S/c1-3-13-11-20-22(17-6-4-5-12(2)21-17)18(13)16-9-14-10-19-8-7-15(14)23-16/h4-11H,3H2,1-2H3
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US Patent
n/an/a 4.33n/an/an/an/an/an/a



THESAN PHARMACEUTICALS, INC.

US Patent


Assay Description
In a 96 well filter-bottom plate (Millipore, #MSDV N6B 50), 58 ul Assay Buffer (50 mM HEPES, pH 7.6, with 10 mM NaCl, 10 mM MgCl2, and 1 mM DTT ) is ...


US Patent US9260450 (2016)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50355182
PNG
(CHEMBL1835629)
Show SMILES COc1ccc(NC(=S)n2cc(c(n2)-c2cccc(C)n2)-c2ccc3ncnn3c2)cc1OC
Show InChI InChI=1S/C24H21N7O2S/c1-15-5-4-6-19(27-15)23-18(16-7-10-22-25-14-26-30(22)12-16)13-31(29-23)24(34)28-17-8-9-20(32-2)21(11-17)33-3/h4-14H,1-3H3,(H,28,34)
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n/an/a 4.37n/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)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50355174
PNG
(CHEMBL1835518)
Show SMILES Cc1cccc(n1)-c1nn(cc1-c1ccc2ncnn2c1)C(=S)Nc1cccc(F)c1
Show InChI InChI=1S/C22H16FN7S/c1-14-4-2-7-19(26-14)21-18(15-8-9-20-24-13-25-29(20)11-15)12-30(28-21)22(31)27-17-6-3-5-16(23)10-17/h2-13H,1H3,(H,27,31)
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n/an/a 4.43n/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)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50402175
PNG
(CHEMBL2208016)
Show SMILES CCOC(=O)NCc1nc(c([nH]1)-c1nc(C)cs1)-c1ccc2ncsc2c1
Show InChI InChI=1S/C18H17N5O2S2/c1-3-25-18(24)19-7-14-22-15(16(23-14)17-21-10(2)8-26-17)11-4-5-12-13(6-11)27-9-20-12/h4-6,8-9H,3,7H2,1-2H3,(H,19,24)(H,22,23)
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n/an/a 4.5n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ALK5 using GST-tagged Smad3 as substrate assessed as substrate phosphorylation after 30 mins by ELISA


Bioorg Med Chem 20: 7128-38 (2012)

More data for this
Ligand-Target Pair
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