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63 similar compounds to monomer 50015639

Compile data set for download or QSAR
Wt: 395.4
BDBM50015646		Wt: 407.4
BDBM50015663		Wt: 424.4
BDBM50015665		Wt: 438.4
BDBM50015667		Wt: 415.8
BDBM50015669
Wt: 415.8
BDBM50015644		Wt: 411.4
BDBM50015699		Wt: 465.4
BDBM50015700		Wt: 420.4
BDBM50015762		Wt: 423.4
BDBM50015815
Wt: 439.4
BDBM50015822		Wt: 438.4
BDBM50015837		Wt: 381.4
BDBM50015643		Wt: 395.4
BDBM50015671		Wt: 465.4
BDBM50015675
Displayed 1 to 15 (of 63 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 45 hits for monomerid = 50015646,50015663,50015665,50015667,50015669,50015644,50015699,50015700,50015762,50015815,50015822,50015837,50015643,50015671,50015675   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM50015643
PNG
(CHEMBL3260566 | USRE47141, Example 1)
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-1


(Homo sapiens (Human))		BDBM50015837
PNG
(CHEMBL3260613 | USRE47141, Example 76)
Show SMILES CC(=O)Nc1ccc(NCc2nc(c([nH]2)-c2cccc(C)n2)-c2ccc3ncnn3c2)cc1
Show InChI InChI=1S/C24H22N8O/c1-15-4-3-5-20(28-15)24-23(17-6-11-22-26-14-27-32(22)13-17)30-21(31-24)12-25-18-7-9-19(10-8-18)29-16(2)33/h3-11,13-14,25H,12H2,1-2H3,(H,29,33)(H,30,31)
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US Patent
n/an/a 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)


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


(Homo sapiens (Human))		BDBM50015646
PNG
(CHEMBL3260570 | USRE47141, Example 23)
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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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-1


(Homo sapiens (Human))		BDBM50015663
PNG
(CHEMBL3260576 | USRE47141, Example 36)
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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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-1


(Homo sapiens (Human))		BDBM50015665
PNG
(CHEMBL3260578 | USRE47141, Example 65)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2ccccc2C(N)=O)nc1-c1ccc2ncnn2c1
Show InChI InChI=1S/C23H20N8O/c1-14-5-4-8-18(28-14)22-21(15-9-10-20-26-13-27-31(20)12-15)29-19(30-22)11-25-17-7-3-2-6-16(17)23(24)32/h2-10,12-13,25H,11H2,1H3,(H2,24,32)(H,29,30)
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n/an/a 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))		BDBM50015667
PNG
(CHEMBL3260580 | USRE47141, Example 74)
Show SMILES CC(=O)Nc1ccccc1NCc1nc(c([nH]1)-c1cccc(C)n1)-c1ccc2ncnn2c1
Show InChI InChI=1S/C24H22N8O/c1-15-6-5-9-20(28-15)24-23(17-10-11-22-26-14-27-32(22)13-17)30-21(31-24)12-25-18-7-3-4-8-19(18)29-16(2)33/h3-11,13-14,25H,12H2,1-2H3,(H,29,33)(H,30,31)
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n/an/a 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))		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))		BDBM50015671
PNG
(CHEMBL3260584 | USRE47141, Example 24)
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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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-1


(Homo sapiens (Human))		BDBM50015675
PNG
(CHEMBL3260588 | USRE47141, Example 52)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2cccc(OC(F)(F)F)c2)nc1-c1ccc2ncnn2c1
Show InChI InChI=1S/C23H18F3N7O/c1-14-4-2-7-18(30-14)22-21(15-8-9-20-28-13-29-33(20)12-15)31-19(32-22)11-27-16-5-3-6-17(10-16)34-23(24,25)26/h2-10,12-13,27H,11H2,1H3,(H,31,32)
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n/an/a 23n/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))		BDBM50015699
PNG
(CHEMBL3260603 | USRE47141, Example 44)
Show SMILES COc1ccc(NCc2nc(c([nH]2)-c2cccc(C)n2)-c2ccc3ncnn3c2)cc1
Show InChI InChI=1S/C23H21N7O/c1-15-4-3-5-19(27-15)23-22(16-6-11-21-25-14-26-30(21)13-16)28-20(29-23)12-24-17-7-9-18(31-2)10-8-17/h3-11,13-14,24H,12H2,1-2H3,(H,28,29)
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n/an/a 48n/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))		BDBM50015700
PNG
(CHEMBL3260604 | USRE47141, Example 53)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2ccc(OC(F)(F)F)cc2)nc1-c1ccc2ncnn2c1
Show InChI InChI=1S/C23H18F3N7O/c1-14-3-2-4-18(30-14)22-21(15-5-10-20-28-13-29-33(20)12-15)31-19(32-22)11-27-16-6-8-17(9-7-16)34-23(24,25)26/h2-10,12-13,27H,11H2,1H3,(H,31,32)
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n/an/a 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))		BDBM50015762
PNG
(CHEMBL3260609 | USRE47141, Example 69)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2ccc(CC#N)cc2)nc1-c1ccc2ncnn2c1
Show InChI InChI=1S/C24H20N8/c1-16-3-2-4-20(29-16)24-23(18-7-10-22-27-15-28-32(22)14-18)30-21(31-24)13-26-19-8-5-17(6-9-19)11-12-25/h2-10,14-15,26H,11,13H2,1H3,(H,30,31)
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n/an/a 25n/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))		BDBM50015815
PNG
(CHEMBL3260610 | USRE47141, Example 71)
Show SMILES CC(=O)c1ccc(NCc2nc(c([nH]2)-c2cccc(C)n2)-c2ccc3ncnn3c2)cc1
Show InChI InChI=1S/C24H21N7O/c1-15-4-3-5-20(28-15)24-23(18-8-11-22-26-14-27-31(22)13-18)29-21(30-24)12-25-19-9-6-17(7-10-19)16(2)32/h3-11,13-14,25H,12H2,1-2H3,(H,29,30)
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n/an/a 59n/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))		BDBM50015822
PNG
(CHEMBL3260611 | USRE47141, Example 73)
Show SMILES COC(=O)c1ccc(NCc2nc(c([nH]2)-c2cccc(C)n2)-c2ccc3ncnn3c2)cc1
Show InChI InChI=1S/C24H21N7O2/c1-15-4-3-5-19(28-15)23-22(17-8-11-21-26-14-27-31(21)13-17)29-20(30-23)12-25-18-9-6-16(7-10-18)24(32)33-2/h3-11,13-14,25H,12H2,1-2H3,(H,29,30)
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n/an/a 78n/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))		BDBM50015837
PNG
(CHEMBL3260613 | USRE47141, Example 76)
Show SMILES CC(=O)Nc1ccc(NCc2nc(c([nH]2)-c2cccc(C)n2)-c2ccc3ncnn3c2)cc1
Show InChI InChI=1S/C24H22N8O/c1-15-4-3-5-20(28-15)24-23(17-6-11-22-26-14-27-32(22)13-17)30-21(31-24)12-25-18-7-9-19(10-8-18)29-16(2)33/h3-11,13-14,25H,12H2,1-2H3,(H,29,33)(H,30,31)
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n/an/a 39n/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))		BDBM50015643
PNG
(CHEMBL3260566 | USRE47141, Example 1)
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 2.29E+3n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha expressed in Escherichia coli using ATF2 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))		BDBM50015644
PNG
(CHEMBL3260568 | USRE47141, Example 10)
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>1.00E+4n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha expressed in Escherichia coli using ATF2 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))		BDBM50015646
PNG
(CHEMBL3260570 | USRE47141, Example 23)
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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n/an/a 1.94E+3n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha expressed in Escherichia coli using ATF2 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))		BDBM50015663
PNG
(CHEMBL3260576 | USRE47141, Example 36)
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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n/an/a 2.05E+3n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha expressed in Escherichia coli using ATF2 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))		BDBM50015665
PNG
(CHEMBL3260578 | USRE47141, Example 65)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2ccccc2C(N)=O)nc1-c1ccc2ncnn2c1
Show InChI InChI=1S/C23H20N8O/c1-14-5-4-8-18(28-14)22-21(15-9-10-20-26-13-27-31(20)12-15)29-19(30-22)11-25-17-7-3-2-6-16(17)23(24)32/h2-10,12-13,25H,11H2,1H3,(H2,24,32)(H,29,30)
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n/an/a 3.94E+3n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha expressed in Escherichia coli using ATF2 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))		BDBM50015667
PNG
(CHEMBL3260580 | USRE47141, Example 74)
Show SMILES CC(=O)Nc1ccccc1NCc1nc(c([nH]1)-c1cccc(C)n1)-c1ccc2ncnn2c1
Show InChI InChI=1S/C24H22N8O/c1-15-6-5-9-20(28-15)24-23(17-10-11-22-26-14-27-32(22)13-17)30-21(31-24)12-25-18-7-3-4-8-19(18)29-16(2)33/h3-11,13-14,25H,12H2,1-2H3,(H,29,33)(H,30,31)
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n/an/a 2.83E+3n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha expressed in Escherichia coli using ATF2 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 730n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha expressed in Escherichia coli using ATF2 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))		BDBM50015671
PNG
(CHEMBL3260584 | USRE47141, Example 24)
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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n/an/a 1.31E+3n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha expressed in Escherichia coli using ATF2 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))		BDBM50015675
PNG
(CHEMBL3260588 | USRE47141, Example 52)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2cccc(OC(F)(F)F)c2)nc1-c1ccc2ncnn2c1
Show InChI InChI=1S/C23H18F3N7O/c1-14-4-2-7-18(30-14)22-21(15-8-9-20-28-13-29-33(20)12-15)31-19(32-22)11-27-16-5-3-6-17(10-16)34-23(24,25)26/h2-10,12-13,27H,11H2,1H3,(H,31,32)
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n/an/a 1.86E+3n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha expressed in Escherichia coli using ATF2 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))		BDBM50015699
PNG
(CHEMBL3260603 | USRE47141, Example 44)
Show SMILES COc1ccc(NCc2nc(c([nH]2)-c2cccc(C)n2)-c2ccc3ncnn3c2)cc1
Show InChI InChI=1S/C23H21N7O/c1-15-4-3-5-19(27-15)23-22(16-6-11-21-25-14-26-30(21)13-16)28-20(29-23)12-24-17-7-9-18(31-2)10-8-17/h3-11,13-14,24H,12H2,1-2H3,(H,28,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha expressed in Escherichia coli using ATF2 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))		BDBM50015700
PNG
(CHEMBL3260604 | USRE47141, Example 53)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2ccc(OC(F)(F)F)cc2)nc1-c1ccc2ncnn2c1
Show InChI InChI=1S/C23H18F3N7O/c1-14-3-2-4-18(30-14)22-21(15-5-10-20-28-13-29-33(20)12-15)31-19(32-22)11-27-16-6-8-17(9-7-16)34-23(24,25)26/h2-10,12-13,27H,11H2,1H3,(H,31,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha expressed in Escherichia coli using ATF2 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))		BDBM50015762
PNG
(CHEMBL3260609 | USRE47141, Example 69)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2ccc(CC#N)cc2)nc1-c1ccc2ncnn2c1
Show InChI InChI=1S/C24H20N8/c1-16-3-2-4-20(29-16)24-23(18-7-10-22-27-15-28-32(22)14-18)30-21(31-24)13-26-19-8-5-17(6-9-19)11-12-25/h2-10,14-15,26H,11,13H2,1H3,(H,30,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha expressed in Escherichia coli using ATF2 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))		BDBM50015815
PNG
(CHEMBL3260610 | USRE47141, Example 71)
Show SMILES CC(=O)c1ccc(NCc2nc(c([nH]2)-c2cccc(C)n2)-c2ccc3ncnn3c2)cc1
Show InChI InChI=1S/C24H21N7O/c1-15-4-3-5-20(28-15)24-23(18-8-11-22-26-14-27-31(22)13-18)29-21(30-24)12-25-19-9-6-17(7-10-19)16(2)32/h3-11,13-14,25H,12H2,1-2H3,(H,29,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha expressed in Escherichia coli using ATF2 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))		BDBM50015822
PNG
(CHEMBL3260611 | USRE47141, Example 73)
Show SMILES COC(=O)c1ccc(NCc2nc(c([nH]2)-c2cccc(C)n2)-c2ccc3ncnn3c2)cc1
Show InChI InChI=1S/C24H21N7O2/c1-15-4-3-5-19(28-15)23-22(17-8-11-21-26-14-27-31(21)13-17)29-20(30-23)12-25-18-9-6-16(7-10-18)24(32)33-2/h3-11,13-14,25H,12H2,1-2H3,(H,29,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha expressed in Escherichia coli using ATF2 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))		BDBM50015837
PNG
(CHEMBL3260613 | USRE47141, Example 76)
Show SMILES CC(=O)Nc1ccc(NCc2nc(c([nH]2)-c2cccc(C)n2)-c2ccc3ncnn3c2)cc1
Show InChI InChI=1S/C24H22N8O/c1-15-4-3-5-20(28-15)24-23(17-6-11-22-26-14-27-32(22)13-17)30-21(31-24)12-25-18-7-9-19(10-8-18)29-16(2)33/h3-11,13-14,25H,12H2,1-2H3,(H,29,33)(H,30,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha expressed in Escherichia coli using ATF2 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))		BDBM50015643
PNG
(CHEMBL3260566 | USRE47141, Example 1)
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 13.1n/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)


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


(Homo sapiens (Human))		BDBM50015644
PNG
(CHEMBL3260568 | USRE47141, Example 10)
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 9.41n/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)


BindingDB Entry DOI: 10.7270/Q26W9D4M
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)


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


(Homo sapiens (Human))		BDBM50015646
PNG
(CHEMBL3260570 | USRE47141, Example 23)
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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n/an/a 13.9n/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)


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


(Homo sapiens (Human))		BDBM50015671
PNG
(CHEMBL3260584 | USRE47141, Example 24)
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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n/an/a 9.07n/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)


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


(Homo sapiens (Human))		BDBM50015663
PNG
(CHEMBL3260576 | USRE47141, Example 36)
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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n/an/a 14.2n/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)


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


(Homo sapiens (Human))		BDBM50015699
PNG
(CHEMBL3260603 | USRE47141, Example 44)
Show SMILES COc1ccc(NCc2nc(c([nH]2)-c2cccc(C)n2)-c2ccc3ncnn3c2)cc1
Show InChI InChI=1S/C23H21N7O/c1-15-4-3-5-19(27-15)23-22(16-6-11-21-25-14-26-30(21)13-16)28-20(29-23)12-24-17-7-9-18(31-2)10-8-17/h3-11,13-14,24H,12H2,1-2H3,(H,28,29)
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n/an/a 48.1n/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)


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


(Homo sapiens (Human))		BDBM50015675
PNG
(CHEMBL3260588 | USRE47141, Example 52)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2cccc(OC(F)(F)F)c2)nc1-c1ccc2ncnn2c1
Show InChI InChI=1S/C23H18F3N7O/c1-14-4-2-7-18(30-14)22-21(15-8-9-20-28-13-29-33(20)12-15)31-19(32-22)11-27-16-5-3-6-17(10-16)34-23(24,25)26/h2-10,12-13,27H,11H2,1H3,(H,31,32)
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n/an/a 23.4n/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)


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


(Homo sapiens (Human))		BDBM50015700
PNG
(CHEMBL3260604 | USRE47141, Example 53)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2ccc(OC(F)(F)F)cc2)nc1-c1ccc2ncnn2c1
Show InChI InChI=1S/C23H18F3N7O/c1-14-3-2-4-18(30-14)22-21(15-5-10-20-28-13-29-33(20)12-15)31-19(32-22)11-27-16-6-8-17(9-7-16)34-23(24,25)26/h2-10,12-13,27H,11H2,1H3,(H,31,32)
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n/an/a 60.1n/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)


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


(Homo sapiens (Human))		BDBM50015665
PNG
(CHEMBL3260578 | USRE47141, Example 65)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2ccccc2C(N)=O)nc1-c1ccc2ncnn2c1
Show InChI InChI=1S/C23H20N8O/c1-14-5-4-8-18(28-14)22-21(15-9-10-20-26-13-27-31(20)12-15)29-19(30-22)11-25-17-7-3-2-6-16(17)23(24)32/h2-10,12-13,25H,11H2,1H3,(H2,24,32)(H,29,30)
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n/an/a 29.7n/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)


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


(Homo sapiens (Human))		BDBM50015762
PNG
(CHEMBL3260609 | USRE47141, Example 69)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2ccc(CC#N)cc2)nc1-c1ccc2ncnn2c1
Show InChI InChI=1S/C24H20N8/c1-16-3-2-4-20(29-16)24-23(18-7-10-22-27-15-28-32(22)14-18)30-21(31-24)13-26-19-8-5-17(6-9-19)11-12-25/h2-10,14-15,26H,11,13H2,1H3,(H,30,31)
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n/an/a 24.5n/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)


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


(Homo sapiens (Human))		BDBM50015815
PNG
(CHEMBL3260610 | USRE47141, Example 71)
Show SMILES CC(=O)c1ccc(NCc2nc(c([nH]2)-c2cccc(C)n2)-c2ccc3ncnn3c2)cc1
Show InChI InChI=1S/C24H21N7O/c1-15-4-3-5-20(28-15)24-23(18-8-11-22-26-14-27-31(22)13-18)29-21(30-24)12-25-19-9-6-17(7-10-19)16(2)32/h3-11,13-14,25H,12H2,1-2H3,(H,29,30)
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n/an/a 59.1n/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)


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


(Homo sapiens (Human))		BDBM50015822
PNG
(CHEMBL3260611 | USRE47141, Example 73)
Show SMILES COC(=O)c1ccc(NCc2nc(c([nH]2)-c2cccc(C)n2)-c2ccc3ncnn3c2)cc1
Show InChI InChI=1S/C24H21N7O2/c1-15-4-3-5-19(28-15)23-22(17-8-11-21-26-14-27-31(21)13-17)29-20(30-23)12-25-18-9-6-16(7-10-18)24(32)33-2/h3-11,13-14,25H,12H2,1-2H3,(H,29,30)
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n/an/a 78n/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)


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


(Homo sapiens (Human))		BDBM50015667
PNG
(CHEMBL3260580 | USRE47141, Example 74)
Show SMILES CC(=O)Nc1ccccc1NCc1nc(c([nH]1)-c1cccc(C)n1)-c1ccc2ncnn2c1
Show InChI InChI=1S/C24H22N8O/c1-15-6-5-9-20(28-15)24-23(17-10-11-22-26-14-27-32(22)13-17)30-21(31-24)12-25-18-7-3-4-8-19(18)29-16(2)33/h3-11,13-14,25H,12H2,1-2H3,(H,29,33)(H,30,31)
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n/an/a 39.5n/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)


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


(Homo sapiens (Human))		BDBM50015644
PNG
(CHEMBL3260568 | USRE47141, Example 10)
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