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SMILES: COc1ccc2sc(cc2c1)C(=O)NCc1ccc(OC(C)(C)C(O)=O)cc1

InChI Key: InChIKey=DHGRMXJBZSJFNZ-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50229225   
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
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM50229225
PNG
(2-(4-((5-methoxybenzo[b]thiophene-2-carboxamido)me...)
Show SMILES COc1ccc2sc(cc2c1)C(=O)NCc1ccc(OC(C)(C)C(O)=O)cc1
Show InChI InChI=1S/C21H21NO5S/c1-21(2,20(24)25)27-15-6-4-13(5-7-15)12-22-19(23)18-11-14-10-16(26-3)8-9-17(14)28-18/h4-11H,12H2,1-3H3,(H,22,23)(H,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>2.50E+4n/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPARalpha assessed as receptor activation by cell based assay


Bioorg Med Chem Lett 18: 710-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.053
BindingDB Entry DOI: 10.7270/Q2542NBN
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50229225
PNG
(2-(4-((5-methoxybenzo[b]thiophene-2-carboxamido)me...)
Show SMILES COc1ccc2sc(cc2c1)C(=O)NCc1ccc(OC(C)(C)C(O)=O)cc1
Show InChI InChI=1S/C21H21NO5S/c1-21(2,20(24)25)27-15-6-4-13(5-7-15)12-22-19(23)18-11-14-10-16(26-3)8-9-17(14)28-18/h4-11H,12H2,1-3H3,(H,22,23)(H,24,25)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 6.00E+3n/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha assessed as receptor activation by cell based assay


Bioorg Med Chem Lett 18: 710-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.053
BindingDB Entry DOI: 10.7270/Q2542NBN
More data for this
Ligand-Target Pair