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BDBM50015687 CHEMBL3260596::USRE47141, Example 78

SMILES: Cc1cccc(n1)-c1[nH]c(CNc2cccc(NS(C)(=O)=O)c2)nc1-c1ccc2ncnn2c1

InChI Key: InChIKey=VWPJWDZHEMCUOG-UHFFFAOYSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50015687   
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))
BDBM50015687
PNG
(CHEMBL3260596 | USRE47141, Example 78)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2cccc(NS(C)(=O)=O)c2)nc1-c1ccc2ncnn2c1
Show InChI InChI=1S/C23H22N8O2S/c1-15-5-3-8-19(27-15)23-22(16-9-10-21-25-14-26-31(21)13-16)28-20(29-23)12-24-17-6-4-7-18(11-17)30-34(2,32)33/h3-11,13-14,24,30H,12H2,1-2H3,(H,28,29)
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Article
PubMed
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
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50015687
PNG
(CHEMBL3260596 | USRE47141, Example 78)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2cccc(NS(C)(=O)=O)c2)nc1-c1ccc2ncnn2c1
Show InChI InChI=1S/C23H22N8O2S/c1-15-5-3-8-19(27-15)23-22(16-9-10-21-25-14-26-31(21)13-16)28-20(29-23)12-24-17-6-4-7-18(11-17)30-34(2,32)33/h3-11,13-14,24,30H,12H2,1-2H3,(H,28,29)
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US Patent
n/an/a 15.1n/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))
BDBM50015687
PNG
(CHEMBL3260596 | USRE47141, Example 78)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2cccc(NS(C)(=O)=O)c2)nc1-c1ccc2ncnn2c1
Show InChI InChI=1S/C23H22N8O2S/c1-15-5-3-8-19(27-15)23-22(16-9-10-21-25-14-26-31(21)13-16)28-20(29-23)12-24-17-6-4-7-18(11-17)30-34(2,32)33/h3-11,13-14,24,30H,12H2,1-2H3,(H,28,29)
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Article
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n/an/a 2.27E+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