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Compile Data Set for Download or QSAR

Found 1365 hits Enz. Inhib. hit(s) with Target = 'ALK5'   
Target
(Institution)
LigandTarget
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 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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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)


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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)


Citation and Details
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


Citation and Details
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)


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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 ...


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


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


(Homo sapiens)
BDBM50355204
PNG
(CHEMBL1835524)
Show SMILES Cc1cccc(n1)-c1nn(cc1-c1ccc2ncnn2c1)C(=S)Nc1cccc(c1)C#N
Show InChI InChI=1S/C23H16N8S/c1-15-4-2-7-20(27-15)22-19(17-8-9-21-25-14-26-30(21)12-17)13-31(29-22)23(32)28-18-6-3-5-16(10-18)11-24/h2-10,12-14H,1H3,(H,28,32)
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n/an/a 4.5n/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


Citation and Details
More data for this
Ligand-Target Pair
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