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Compile Data Set for Download or QSAR

Found 200 hits Enz. Inhib. hit(s) with all data for entry = 50044395   
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 I


(Homo sapiens)
BDBM50015639
PNG
(CHEMBL3260567)
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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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 I


(Homo sapiens)
BDBM50015639
PNG
(CHEMBL3260567)
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 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)


Article DOI: 10.1021/jm500115w
BindingDB Entry DOI: 10.7270/Q2DV1MFM
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)


Article DOI: 10.1021/jm500115w
BindingDB Entry DOI: 10.7270/Q2DV1MFM
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)


Article DOI: 10.1021/jm500115w
BindingDB Entry DOI: 10.7270/Q2DV1MFM
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)


Article DOI: 10.1021/jm500115w
BindingDB Entry DOI: 10.7270/Q2DV1MFM
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)


Article DOI: 10.1021/jm500115w
BindingDB Entry DOI: 10.7270/Q2DV1MFM
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)


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


(Homo sapiens)
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 I


(Homo sapiens)
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 I


(Homo sapiens)
BDBM50015670
PNG
(CHEMBL3260583)
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 I


(Homo sapiens)
BDBM50015679
PNG
(CHEMBL3260591)
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 I


(Homo sapiens)
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 I


(Homo sapiens)
BDBM50015942
PNG
(CHEMBL3260623)
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 I


(Homo sapiens)
BDBM50015669
PNG
(CHEMBL3260582)
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 I


(Homo sapiens)
BDBM50015961
PNG
(CHEMBL3260906)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2cc(ccc2CN2CCCC2)C#N)nc1-c1ccc2ncnn2c1
Show InChI InChI=1S/C28H27N9/c1-19-5-4-6-23(33-19)28-27(22-9-10-26-31-18-32-37(26)17-22)34-25(35-28)15-30-24-13-20(14-29)7-8-21(24)16-36-11-2-3-12-36/h4-10,13,17-18,30H,2-3,11-12,15-16H2,1H3,(H,34,35)
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n/an/a 6.80n/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 I


(Homo sapiens)
BDBM50015951
PNG
(CHEMBL3260631)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2cccc(CN3CCOCC3)c2F)nc1-c1ccc2ncnn2c1
Show InChI InChI=1S/C27H27FN8O/c1-18-4-2-7-22(32-18)27-26(20-8-9-24-30-17-31-36(24)16-20)33-23(34-27)14-29-21-6-3-5-19(25(21)28)15-35-10-12-37-13-11-35/h2-9,16-17,29H,10-15H2,1H3,(H,33,34)
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n/an/a 6.80n/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 I


(Homo sapiens)
BDBM50015639
PNG
(CHEMBL3260567)
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 7n/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 I


(Homo sapiens)
BDBM50015645
PNG
(CHEMBL3260569)
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 7n/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 I


(Homo sapiens)
BDBM50015676
PNG
(CHEMBL3260589)
Show SMILES CSc1cccc(NCc2nc(c([nH]2)-c2cccc(C)n2)-c2ccc3ncnn3c2)c1
Show InChI InChI=1S/C23H21N7S/c1-15-5-3-8-19(27-15)23-22(16-9-10-21-25-14-26-30(21)13-16)28-20(29-23)12-24-17-6-4-7-18(11-17)31-2/h3-11,13-14,24H,12H2,1-2H3,(H,28,29)
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n/an/a 7n/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 I


(Homo sapiens)
BDBM50015878
PNG
(CHEMBL3260620)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2ccc(Cl)c(Cl)c2)nc1-c1ccc2ncnn2c1
Show InChI InChI=1S/C22H17Cl2N7/c1-13-3-2-4-18(28-13)22-21(14-5-8-20-26-12-27-31(20)11-14)29-19(30-22)10-25-15-6-7-16(23)17(24)9-15/h2-9,11-12,25H,10H2,1H3,(H,29,30)
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n/an/a 8n/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 I


(Homo sapiens)
BDBM50015672
PNG
(CHEMBL3260585)
Show SMILES CCc1cccc(NCc2nc(c([nH]2)-c2cccc(C)n2)-c2ccc3ncnn3c2)c1
Show InChI InChI=1S/C24H23N7/c1-3-17-7-5-8-19(12-17)25-13-21-29-23(18-10-11-22-26-15-27-31(22)14-18)24(30-21)20-9-4-6-16(2)28-20/h4-12,14-15,25H,3,13H2,1-2H3,(H,29,30)
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n/an/a 8n/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 I


(Homo sapiens)
BDBM50015954
PNG
(CHEMBL3260899)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2cccc(C#N)c2CN2CCOCC2)nc1-c1ccc2ncnn2c1
Show InChI InChI=1S/C28H27N9O/c1-19-4-2-7-24(33-19)28-27(21-8-9-26-31-18-32-37(26)16-21)34-25(35-28)15-30-23-6-3-5-20(14-29)22(23)17-36-10-12-38-13-11-36/h2-9,16,18,30H,10-13,15,17H2,1H3,(H,34,35)
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n/an/a 8.10n/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 I


(Homo sapiens)
BDBM50015838
PNG
(CHEMBL3260614)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2cccc(F)c2F)nc1-c1ccc2ncnn2c1
Show InChI InChI=1S/C22H17F2N7/c1-13-4-2-7-17(28-13)22-21(14-8-9-19-26-12-27-31(19)11-14)29-18(30-22)10-25-16-6-3-5-15(23)20(16)24/h2-9,11-12,25H,10H2,1H3,(H,29,30)
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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 I


(Homo sapiens)
BDBM50015644
PNG
(CHEMBL3260568)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2ccccc2Cl)nc1-c1ccc2ncnn2c1
Show InChI InChI=1S/C22H18ClN7/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 9n/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 I


(Homo sapiens)
BDBM50015668
PNG
(CHEMBL3260581)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2cccc(F)c2)nc1-c1ccc2ncnn2c1
Show InChI InChI=1S/C22H18FN7/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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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 I


(Homo sapiens)
BDBM50015671
PNG
(CHEMBL3260584)
Show SMILES Cc1cccc(NCc2nc(c([nH]2)-c2cccc(C)n2)-c2ccc3ncnn3c2)c1
Show InChI InChI=1S/C23H21N7/c1-15-5-3-7-18(11-15)24-12-20-28-22(17-9-10-21-25-14-26-30(21)13-17)23(29-20)19-8-4-6-16(2)27-19/h3-11,13-14,24H,12H2,1-2H3,(H,28,29)
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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 I


(Homo sapiens)
BDBM50015680
PNG
(CHEMBL3260592)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2cccc(c2)C(N)=O)nc1-c1ccc2ncnn2c1
Show InChI InChI=1S/C23H20N8O/c1-14-4-2-7-18(28-14)22-21(16-8-9-20-26-13-27-31(20)12-16)29-19(30-22)11-25-17-6-3-5-15(10-17)23(24)32/h2-10,12-13,25H,11H2,1H3,(H2,24,32)(H,29,30)
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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 I


(Homo sapiens)
BDBM50015845
PNG
(CHEMBL3260619)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2ccc(F)c(F)c2)nc1-c1ccc2ncnn2c1
Show InChI InChI=1S/C22H17F2N7/c1-13-3-2-4-18(28-13)22-21(14-5-8-20-26-12-27-31(20)11-14)29-19(30-22)10-25-15-6-7-16(23)17(24)9-15/h2-9,11-12,25H,10H2,1H3,(H,29,30)
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n/an/a 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 I


(Homo sapiens)
BDBM50015661
PNG
(CHEMBL3260575)
Show SMILES CSc1ccccc1NCc1nc(c([nH]1)-c1cccc(C)n1)-c1ccc2ncnn2c1
Show InChI InChI=1S/C23H21N7S/c1-15-6-5-8-18(27-15)23-22(16-10-11-21-25-14-26-30(21)13-16)28-20(29-23)12-24-17-7-3-4-9-19(17)31-2/h3-11,13-14,24H,12H2,1-2H3,(H,28,29)
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n/an/a 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 I


(Homo sapiens)
BDBM50015948
PNG
(CHEMBL3260629)
Show SMILES CN(C)Cc1cccc(NCc2nc(c([nH]2)-c2cccc(C)n2)-c2ccc3ncnn3c2)c1F
Show InChI InChI=1S/C25H25FN8/c1-16-6-4-9-20(30-16)25-24(18-10-11-22-28-15-29-34(22)14-18)31-21(32-25)12-27-19-8-5-7-17(23(19)26)13-33(2)3/h4-11,14-15,27H,12-13H2,1-3H3,(H,31,32)
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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 I


(Homo sapiens)
BDBM50015647
PNG
(CHEMBL3260571)
Show SMILES CCc1ccccc1NCc1nc(c([nH]1)-c1cccc(C)n1)-c1ccc2ncnn2c1
Show InChI InChI=1S/C24H23N7/c1-3-17-8-4-5-9-19(17)25-13-21-29-23(18-11-12-22-26-15-27-31(22)14-18)24(30-21)20-10-6-7-16(2)28-20/h4-12,14-15,25H,3,13H2,1-2H3,(H,29,30)
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n/an/a 11n/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 I


(Homo sapiens)
BDBM50015681
PNG
(CHEMBL3260593)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2cccc(CC#N)c2)nc1-c1ccc2ncnn2c1
Show InChI InChI=1S/C24H20N8/c1-16-4-2-7-20(29-16)24-23(18-8-9-22-27-15-28-32(22)14-18)30-21(31-24)13-26-19-6-3-5-17(12-19)10-11-25/h2-9,12,14-15,26H,10,13H2,1H3,(H,30,31)
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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 I


(Homo sapiens)
BDBM50015690
PNG
(CHEMBL3260599)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2ccc(Cl)cc2)nc1-c1ccc2ncnn2c1
Show InChI InChI=1S/C22H18ClN7/c1-14-3-2-4-18(27-14)22-21(15-5-10-20-25-13-26-30(20)12-15)28-19(29-22)11-24-17-8-6-16(23)7-9-17/h2-10,12-13,24H,11H2,1H3,(H,28,29)
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n/an/a 11n/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 I


(Homo sapiens)
BDBM50015839
PNG
(CHEMBL3260615)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2cccc(Cl)c2Cl)nc1-c1ccc2ncnn2c1
Show InChI InChI=1S/C22H17Cl2N7/c1-13-4-2-7-17(28-13)22-21(14-8-9-19-26-12-27-31(19)11-14)29-18(30-22)10-25-16-6-3-5-15(23)20(16)24/h2-9,11-12,25H,10H2,1H3,(H,29,30)
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n/an/a 12n/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
ALK5


(Mus musculus)
BDBM50015639
PNG
(CHEMBL3260567)
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 12n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of ALK5 in mouse 4T1 cells assessed as inhibition of TGFbeta1-induced luciferase activity after 24 hrs by luciferase reporter gene assay


J Med Chem 57: 4213-38 (2014)


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


(Homo sapiens)
BDBM50015660
PNG
(CHEMBL3260574)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2ccccc2OC(F)(F)F)nc1-c1ccc2ncnn2c1
Show InChI InChI=1S/C23H18F3N7O/c1-14-5-4-7-17(30-14)22-21(15-9-10-20-28-13-29-33(20)12-15)31-19(32-22)11-27-16-6-2-3-8-18(16)34-23(24,25)26/h2-10,12-13,27H,11H2,1H3,(H,31,32)
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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 I


(Homo sapiens)
BDBM50015678
PNG
(CHEMBL3260590)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2cccc(C=C)c2)nc1-c1ccc2ncnn2c1
Show InChI InChI=1S/C24H21N7/c1-3-17-7-5-8-19(12-17)25-13-21-29-23(18-10-11-22-26-15-27-31(22)14-18)24(30-21)20-9-4-6-16(2)28-20/h3-12,14-15,25H,1,13H2,2H3,(H,29,30)
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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
Activin receptor type-1B


(Homo sapiens)
BDBM50015639
PNG
(CHEMBL3260567)
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 13n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of ALK4 (unknown origin) 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 I


(Homo sapiens)
BDBM50015641
PNG
(CHEMBL3260564)
Show SMILES Cc1cccc(n1)-c1[nH]c(COc2ccccc2)nc1-c1ccc2ncnn2c1
Show InChI InChI=1S/C22H18N6O/c1-15-6-5-9-18(25-15)22-21(16-10-11-20-23-14-24-28(20)12-16)26-19(27-22)13-29-17-7-3-2-4-8-17/h2-12,14H,13H2,1H3,(H,26,27)
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n/an/a 13n/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 I


(Homo sapiens)
BDBM50015643
PNG
(CHEMBL3260566)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2ccccc2)nc1-c1ccc2ncnn2c1
Show InChI InChI=1S/C22H19N7/c1-15-6-5-9-18(26-15)22-21(16-10-11-20-24-14-25-29(20)13-16)27-19(28-22)12-23-17-7-3-2-4-8-17/h2-11,13-14,23H,12H2,1H3,(H,27,28)
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n/an/a 13n/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 I


(Homo sapiens)
BDBM50015682
PNG
(CHEMBL3260594)
Show SMILES CC(=O)c1cccc(NCc2nc(c([nH]2)-c2cccc(C)n2)-c2ccc3ncnn3c2)c1
Show InChI InChI=1S/C24H21N7O/c1-15-5-3-8-20(28-15)24-23(18-9-10-22-26-14-27-31(22)13-18)29-21(30-24)12-25-19-7-4-6-17(11-19)16(2)32/h3-11,13-14,25H,12H2,1-2H3,(H,29,30)
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n/an/a 13n/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 I


(Homo sapiens)
BDBM50015944
PNG
(CHEMBL3260625)
Show SMILES Cc1cc(C)cc(NCc2nc(c([nH]2)-c2cccc(C)n2)-c2ccc3ncnn3c2)c1
Show InChI InChI=1S/C24H23N7/c1-15-9-16(2)11-19(10-15)25-12-21-29-23(18-7-8-22-26-14-27-31(22)13-18)24(30-21)20-6-4-5-17(3)28-20/h4-11,13-14,25H,12H2,1-3H3,(H,29,30)
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n/an/a 14n/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 I


(Homo sapiens)
BDBM50015945
PNG
(CHEMBL3260626)
Show SMILES COc1cc(NCc2nc(c([nH]2)-c2cccc(C)n2)-c2ccc3ncnn3c2)cc(OC)c1
Show InChI InChI=1S/C24H23N7O2/c1-15-5-4-6-20(28-15)24-23(16-7-8-22-26-14-27-31(22)13-16)29-21(30-24)12-25-17-9-18(32-2)11-19(10-17)33-3/h4-11,13-14,25H,12H2,1-3H3,(H,29,30)
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n/an/a 14n/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 I


(Homo sapiens)
BDBM50015646
PNG
(CHEMBL3260570)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2ccccc2C)nc1-c1ccc2ncnn2c1
Show InChI InChI=1S/C23H21N7/c1-15-6-3-4-8-18(15)24-12-20-28-22(17-10-11-21-25-14-26-30(21)13-17)23(29-20)19-9-5-7-16(2)27-19/h3-11,13-14,24H,12H2,1-2H3,(H,28,29)
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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 I


(Homo sapiens)
BDBM50015656
PNG
(CHEMBL3260572)
Show SMILES CC(C)c1ccccc1NCc1nc(c([nH]1)-c1cccc(C)n1)-c1ccc2ncnn2c1
Show InChI InChI=1S/C25H25N7/c1-16(2)19-8-4-5-9-20(19)26-13-22-30-24(18-11-12-23-27-15-28-32(23)14-18)25(31-22)21-10-6-7-17(3)29-21/h4-12,14-16,26H,13H2,1-3H3,(H,30,31)
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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 I


(Homo sapiens)
BDBM50015659
PNG
(CHEMBL3260573)
Show SMILES COc1ccccc1NCc1nc(c([nH]1)-c1cccc(C)n1)-c1ccc2ncnn2c1
Show InChI InChI=1S/C23H21N7O/c1-15-6-5-8-18(27-15)23-22(16-10-11-21-25-14-26-30(21)13-16)28-20(29-23)12-24-17-7-3-4-9-19(17)31-2/h3-11,13-14,24H,12H2,1-2H3,(H,28,29)
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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 I


(Homo sapiens)
BDBM50015663
PNG
(CHEMBL3260576)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2ccccc2C=C)nc1-c1ccc2ncnn2c1
Show InChI InChI=1S/C24H21N7/c1-3-17-8-4-5-9-19(17)25-13-21-29-23(18-11-12-22-26-15-27-31(22)14-18)24(30-21)20-10-6-7-16(2)28-20/h3-12,14-15,25H,1,13H2,2H3,(H,29,30)
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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 I


(Homo sapiens)
BDBM50015674
PNG
(CHEMBL3260587)
Show SMILES COc1cccc(NCc2nc(c([nH]2)-c2cccc(C)n2)-c2ccc3ncnn3c2)c1
Show InChI InChI=1S/C23H21N7O/c1-15-5-3-8-19(27-15)23-22(16-9-10-21-25-14-26-30(21)13-16)28-20(29-23)12-24-17-6-4-7-18(11-17)31-2/h3-11,13-14,24H,12H2,1-2H3,(H,28,29)
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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 I


(Homo sapiens)
BDBM50015943
PNG
(CHEMBL3260624)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2cc(Cl)cc(Cl)c2)nc1-c1ccc2ncnn2c1
Show InChI InChI=1S/C22H17Cl2N7/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 15n/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
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