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3 similar compounds to monomer 50351818

Compile data set for download or QSAR
Wt: 433.5
BDBM50342226		Wt: 458.5
BDBM50342227		Wt: 487.5
BDBM50351819

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50342226,50342227,50351819   
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))		BDBM50342226
PNG
(3-(3-(6-Methylpyridin-2-yl)-4-(quinolin-6-yl)-1H-p...)
Show SMILES Cc1cccc(n1)-c1nn(CCC(=O)Nc2ccccc2)cc1-c1ccc2ncccc2c1
Show InChI InChI=1S/C27H23N5O/c1-19-7-5-11-25(29-19)27-23(20-12-13-24-21(17-20)8-6-15-28-24)18-32(31-27)16-14-26(33)30-22-9-3-2-4-10-22/h2-13,15,17-18H,14,16H2,1H3,(H,30,33)
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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 GST-fused ALK5 expressed in Sf9 cells

Bioorg Med Chem 19: 2633-40 (2011)


Article DOI: 10.1016/j.bmc.2011.03.008
BindingDB Entry DOI: 10.7270/Q2639Q2H
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM50342227
PNG
(CHEMBL1766451 | N-(3-Cyanophenyl)-3-(3-(6-methylpy...)
Show SMILES Cc1cccc(n1)-c1nn(CCC(=O)Nc2cccc(c2)C#N)cc1-c1ccc2ncccc2c1
Show InChI InChI=1S/C28H22N6O/c1-19-5-2-9-26(31-19)28-24(21-10-11-25-22(16-21)7-4-13-30-25)18-34(33-28)14-12-27(35)32-23-8-3-6-20(15-23)17-29/h2-11,13,15-16,18H,12,14H2,1H3,(H,32,35)
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n/an/a 101n/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

Bioorg Med Chem 19: 2633-40 (2011)


Article DOI: 10.1016/j.bmc.2011.03.008
BindingDB Entry DOI: 10.7270/Q2639Q2H
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM50351819
PNG
(CHEMBL1824439)
Show SMILES Cc1cccc(n1)-c1nn(CCC(=O)Nc2cccc(c2)C#N)cc1-c1ccc2nc(C)c(C)nc2c1
Show InChI InChI=1S/C29H25N7O/c1-18-6-4-9-26(31-18)29-24(22-10-11-25-27(15-22)33-20(3)19(2)32-25)17-36(35-29)13-12-28(37)34-23-8-5-7-21(14-23)16-30/h4-11,14-15,17H,12-13H2,1-3H3,(H,34,37)
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n/an/a>1.00E+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 radiometric kinase assay

Eur J Med Chem 46: 3917-25 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.063
BindingDB Entry DOI: 10.7270/Q2GT5NKM
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM50342227
PNG
(CHEMBL1766451 | N-(3-Cyanophenyl)-3-(3-(6-methylpy...)
Show SMILES Cc1cccc(n1)-c1nn(CCC(=O)Nc2cccc(c2)C#N)cc1-c1ccc2ncccc2c1
Show InChI InChI=1S/C28H22N6O/c1-19-5-2-9-26(31-19)28-24(21-10-11-25-22(16-21)7-4-13-30-25)18-34(33-28)14-12-27(35)32-23-8-3-6-20(15-23)17-29/h2-11,13,15-16,18H,12,14H2,1H3,(H,32,35)
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n/an/a>1.00E+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 a substrate by radioisotopic protein kinase assay

Bioorg Med Chem 19: 2633-40 (2011)


Article DOI: 10.1016/j.bmc.2011.03.008
BindingDB Entry DOI: 10.7270/Q2639Q2H
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM50351819
PNG
(CHEMBL1824439)
Show SMILES Cc1cccc(n1)-c1nn(CCC(=O)Nc2cccc(c2)C#N)cc1-c1ccc2nc(C)c(C)nc2c1
Show InChI InChI=1S/C29H25N7O/c1-18-6-4-9-26(31-18)29-24(22-10-11-25-27(15-22)33-20(3)19(2)32-25)17-36(35-29)13-12-28(37)34-23-8-5-7-21(14-23)16-30/h4-11,14-15,17H,12-13H2,1-3H3,(H,34,37)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-fused ALK5 expressed in insect Sf9 cells using casein as substrate by radiometric kinase assay

Eur J Med Chem 46: 3917-25 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.063
BindingDB Entry DOI: 10.7270/Q2GT5NKM
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM50342226
PNG
(3-(3-(6-Methylpyridin-2-yl)-4-(quinolin-6-yl)-1H-p...)
Show SMILES Cc1cccc(n1)-c1nn(CCC(=O)Nc2ccccc2)cc1-c1ccc2ncccc2c1
Show InChI InChI=1S/C27H23N5O/c1-19-7-5-11-25(29-19)27-23(20-12-13-24-21(17-20)8-6-15-28-24)18-32(31-27)16-14-26(33)30-22-9-3-2-4-10-22/h2-13,15,17-18H,14,16H2,1H3,(H,30,33)
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n/an/a>1.00E+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 a substrate by radioisotopic protein kinase assay

Bioorg Med Chem 19: 2633-40 (2011)


Article DOI: 10.1016/j.bmc.2011.03.008
BindingDB Entry DOI: 10.7270/Q2639Q2H
More data for this
Ligand-Target Pair