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Compile Data Set for Download or QSAR

Found 585 hits with Last Name = 'sheen' and Initial = 'yy'   
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))
BDBM50015639
PNG
(CHEMBL3260567 | USRE47141, Example 2)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2ccccc2F)nc1-c1ccc2ncnn2c1
Show InChI InChI=1S/C22H18FN7/c1-14-5-4-8-18(27-14)22-21(15-9-10-20-25-13-26-30(20)12-15)28-19(29-22)11-24-17-7-3-2-6-16(17)23/h2-10,12-13,24H,11H2,1H3,(H,28,29)
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PubMed
6.30n/an/an/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Competitive inhibition of ALK5 (unknown origin) assessed as enzyme/ATP complex by Michaelis-Menten plot analysis in presence of ATP


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))
BDBM50015639
PNG
(CHEMBL3260567 | USRE47141, Example 2)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2ccccc2F)nc1-c1ccc2ncnn2c1
Show InChI InChI=1S/C22H18FN7/c1-14-5-4-8-18(27-14)22-21(15-9-10-20-25-13-26-30(20)12-15)28-19(29-22)11-24-17-7-3-2-6-16(17)23/h2-10,12-13,24H,11H2,1H3,(H,28,29)
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21n/an/an/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Competitive inhibition of ALK5 (unknown origin) by Michaelis-Menten plot analysis in presence of ATP


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))
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)


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))
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)


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))
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)


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))
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)


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))
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)


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))
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)


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))
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)


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))
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)


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))
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)


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))
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)


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))
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)


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))
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)


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))
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)


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))
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)


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))
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)


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))
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)


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))
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)


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))
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)


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))
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)


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))
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)


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))
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)


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))
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)


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))
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)


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))
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)


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))
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)


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))
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)


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))
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)


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))
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)


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))
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)


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))
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)


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))
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


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))
BDBM50015670
PNG
(CHEMBL3260583 | USRE47141, Example 20)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2cccc(Br)c2)nc1-c1ccc2ncnn2c1
Show InChI InChI=1S/C22H18BrN7/c1-14-4-2-7-18(27-14)22-21(15-8-9-20-25-13-26-30(20)12-15)28-19(29-22)11-24-17-6-3-5-16(23)10-17/h2-10,12-13,24H,11H2,1H3,(H,28,29)
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n/an/a 4.53n/an/an/an/an/an/a



EWHA UNIVERSITY—INDUSTRY COLLABORATION FOUNDATION

US Patent


Assay Description
ALK5 protein was expressed in Sf9 insect cells as human recombinant GST-fusion protein using the baculovirus expression system. Expressed protein was...


US Patent USRE47141 (2018)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q26W9D4M
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50015962
PNG
(CHEMBL3260907)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2cc(ccc2CN2CCOCC2)C#N)nc1-c1ccc2ncnn2c1
Show InChI InChI=1S/C28H27N9O/c1-19-3-2-4-23(33-19)28-27(22-7-8-26-31-18-32-37(26)17-22)34-25(35-28)15-30-24-13-20(14-29)5-6-21(24)16-36-9-11-38-12-10-36/h2-8,13,17-18,30H,9-12,15-16H2,1H3,(H,34,35)
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n/an/a 4.80n/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))
BDBM50015679
PNG
(CHEMBL3260591 | USRE47141, Example 60)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2cccc(c2)C#N)nc1-c1ccc2ncnn2c1
Show InChI InChI=1S/C23H18N8/c1-15-4-2-7-19(28-15)23-22(17-8-9-21-26-14-27-31(21)13-17)29-20(30-23)12-25-18-6-3-5-16(10-18)11-24/h2-10,13-14,25H,12H2,1H3,(H,29,30)
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n/an/a 4.83n/an/an/an/an/an/a



EWHA UNIVERSITY—INDUSTRY COLLABORATION FOUNDATION

US Patent


Assay Description
ALK5 protein was expressed in Sf9 insect cells as human recombinant GST-fusion protein using the baculovirus expression system. Expressed protein was...


US Patent USRE47141 (2018)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q26W9D4M
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50015956
PNG
(CHEMBL3260901)
Show SMILES CN(C)Cc1cc(NCc2nc(c([nH]2)-c2cccc(C)n2)-c2ccc3ncnn3c2)cc(c1)C#N
Show InChI InChI=1S/C26H25N9/c1-17-5-4-6-22(31-17)26-25(20-7-8-24-29-16-30-35(24)15-20)32-23(33-26)13-28-21-10-18(12-27)9-19(11-21)14-34(2)3/h4-11,15-16,28H,13-14H2,1-3H3,(H,32,33)
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n/an/a 4.90n/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)


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))
BDBM50015679
PNG
(CHEMBL3260591 | USRE47141, Example 60)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2cccc(c2)C#N)nc1-c1ccc2ncnn2c1
Show InChI InChI=1S/C23H18N8/c1-15-4-2-7-19(28-15)23-22(17-8-9-21-26-14-27-31(21)13-17)29-20(30-23)12-25-18-6-3-5-16(10-18)11-24/h2-10,13-14,25H,12H2,1H3,(H,29,30)
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n/an/a 5n/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))
BDBM50015670
PNG
(CHEMBL3260583 | USRE47141, Example 20)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2cccc(Br)c2)nc1-c1ccc2ncnn2c1
Show InChI InChI=1S/C22H18BrN7/c1-14-4-2-7-18(27-14)22-21(15-8-9-20-25-13-26-30(20)12-15)28-19(29-22)11-24-17-6-3-5-16(23)10-17/h2-10,12-13,24H,11H2,1H3,(H,28,29)
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n/an/a 5n/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))
BDBM50355186
PNG
(CHEMBL1835625)
Show SMILES Cc1cccc(n1)-c1nn(cc1-c1ccc2ncnn2c1)C(=S)Nc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C22H15Cl2N7S/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 5.08n/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))
BDBM50355194
PNG
(CHEMBL1835534)
Show SMILES Cc1cccc(n1)-c1nn(cc1-c1ccc2ncnn2c1)C(=S)Nc1ccccc1F
Show InChI InChI=1S/C22H16FN7S/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 5.39n/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))
BDBM50015953
PNG
(CHEMBL3260898)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2cccc(C#N)c2CN2CCCC2)nc1-c1ccc2ncnn2c1
Show InChI InChI=1S/C28H27N9/c1-19-6-4-9-24(33-19)28-27(21-10-11-26-31-18-32-37(26)16-21)34-25(35-28)15-30-23-8-5-7-20(14-29)22(23)17-36-12-2-3-13-36/h4-11,16,18,30H,2-3,12-13,15,17H2,1H3,(H,34,35)
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n/an/a 5.60n/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)


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))
BDBM50355191
PNG
(CHEMBL1835620)
Show SMILES COc1ccccc1NC(=S)n1cc(c(n1)-c1cccc(C)n1)-c1ccc2ncnn2c1
Show InChI InChI=1S/C23H19N7OS/c1-15-6-5-8-19(26-15)22-17(16-10-11-21-24-14-25-29(21)12-16)13-30(28-22)23(32)27-18-7-3-4-9-20(18)31-2/h3-14H,1-2H3,(H,27,32)
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n/an/a 5.69n/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))
BDBM50015942
PNG
(CHEMBL3260623 | USRE47141, Example 9)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2cc(F)cc(F)c2)nc1-c1ccc2ncnn2c1
Show InChI InChI=1S/C22H17F2N7/c1-13-3-2-4-18(28-13)22-21(14-5-6-20-26-12-27-31(20)11-14)29-19(30-22)10-25-17-8-15(23)7-16(24)9-17/h2-9,11-12,25H,10H2,1H3,(H,29,30)
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n/an/a 6n/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))
BDBM50015669
PNG
(CHEMBL3260582 | USRE47141, Example 12)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2cccc(Cl)c2)nc1-c1ccc2ncnn2c1
Show InChI InChI=1S/C22H18ClN7/c1-14-4-2-7-18(27-14)22-21(15-8-9-20-25-13-26-30(20)12-15)28-19(29-22)11-24-17-6-3-5-16(23)10-17/h2-10,12-13,24H,11H2,1H3,(H,28,29)
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n/an/a 6n/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))
BDBM50015669
PNG
(CHEMBL3260582 | USRE47141, Example 12)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2cccc(Cl)c2)nc1-c1ccc2ncnn2c1
Show InChI InChI=1S/C22H18ClN7/c1-14-4-2-7-18(27-14)22-21(15-8-9-20-25-13-26-30(20)12-15)28-19(29-22)11-24-17-6-3-5-16(23)10-17/h2-10,12-13,24H,11H2,1H3,(H,28,29)
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n/an/a 6.16n/an/an/an/an/an/a



EWHA UNIVERSITY—INDUSTRY COLLABORATION FOUNDATION

US Patent


Assay Description
ALK5 protein was expressed in Sf9 insect cells as human recombinant GST-fusion protein using the baculovirus expression system. Expressed protein was...


US Patent USRE47141 (2018)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q26W9D4M
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50015942
PNG
(CHEMBL3260623 | USRE47141, Example 9)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2cc(F)cc(F)c2)nc1-c1ccc2ncnn2c1
Show InChI InChI=1S/C22H17F2N7/c1-13-3-2-4-18(28-13)22-21(14-5-6-20-26-12-27-31(20)11-14)29-19(30-22)10-25-17-8-15(23)7-16(24)9-17/h2-9,11-12,25H,10H2,1H3,(H,29,30)
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n/an/a 6.39n/an/an/an/an/an/a



EWHA UNIVERSITY—INDUSTRY COLLABORATION FOUNDATION

US Patent


Assay Description
ALK5 protein was expressed in Sf9 insect cells as human recombinant GST-fusion protein using the baculovirus expression system. Expressed protein was...


US Patent USRE47141 (2018)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q26W9D4M
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50015645
PNG
(CHEMBL3260569 | USRE47141, Example 18)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2ccccc2Br)nc1-c1ccc2ncnn2c1
Show InChI InChI=1S/C22H18BrN7/c1-14-5-4-8-18(27-14)22-21(15-9-10-20-25-13-26-30(20)12-15)28-19(29-22)11-24-17-7-3-2-6-16(17)23/h2-10,12-13,24H,11H2,1H3,(H,28,29)
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n/an/a 6.54n/an/an/an/an/an/a



EWHA UNIVERSITY—INDUSTRY COLLABORATION FOUNDATION

US Patent


Assay Description
ALK5 protein was expressed in Sf9 insect cells as human recombinant GST-fusion protein using the baculovirus expression system. Expressed protein was...


US Patent USRE47141 (2018)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q26W9D4M
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50355200
PNG
(CHEMBL1835528)
Show SMILES Cc1ccc(NC(=S)n2cc(c(n2)-c2cccc(C)n2)-c2ccc3ncnn3c2)cc1
Show InChI InChI=1S/C23H19N7S/c1-15-6-9-18(10-7-15)27-23(31)30-13-19(17-8-11-21-24-14-25-29(21)12-17)22(28-30)20-5-3-4-16(2)26-20/h3-14H,1-2H3,(H,27,31)
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n/an/a 6.61n/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 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))
BDBM50015639
PNG
(CHEMBL3260567 | USRE47141, Example 2)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2ccccc2F)nc1-c1ccc2ncnn2c1
Show InChI InChI=1S/C22H18FN7/c1-14-5-4-8-18(27-14)22-21(15-9-10-20-25-13-26-30(20)12-15)28-19(29-22)11-24-17-7-3-2-6-16(17)23/h2-10,12-13,24H,11H2,1H3,(H,28,29)
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n/an/a 6.68n/an/an/an/an/an/a



EWHA UNIVERSITY—INDUSTRY COLLABORATION FOUNDATION

US Patent


Assay Description
ALK5 protein was expressed in Sf9 insect cells as human recombinant GST-fusion protein using the baculovirus expression system. Expressed protein was...


US Patent USRE47141 (2018)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q26W9D4M
More data for this
Ligand-Target Pair
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