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BDBM28718 2-methyl-2-phenoxypropanoic acid, 25j::2-methyl-2-{4-[({4-methyl-2-[2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}formamido)methyl]phenoxy}propanoic acid

SMILES: Cc1nc(sc1C(=O)NCc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccccc1C(F)(F)F

InChI Key: InChIKey=CBLOILAXMBDKEP-UHFFFAOYSA-N

Data: 3 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 28718   
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 (PPAR alpha)


(Homo sapiens (Human))
BDBM28718
PNG
(2-methyl-2-phenoxypropanoic acid, 25j | 2-methyl-2...)
Show SMILES Cc1nc(sc1C(=O)NCc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C23H21F3N2O4S/c1-13-18(33-20(28-13)16-6-4-5-7-17(16)23(24,25)26)19(29)27-12-14-8-10-15(11-9-14)32-22(2,3)21(30)31/h4-11H,12H2,1-3H3,(H,27,29)(H,30,31)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 465n/an/an/an/a



GSK



Assay Description
The ligand binding domain for PPAR was fused to the yeast transcription factor GAL4 DNA binding domain. CV-1 cells were transiently transfected with ...


J Med Chem 50: 685-95 (2007)


Article DOI: 10.1021/jm058056x
BindingDB Entry DOI: 10.7270/Q2RN3669
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM28718
PNG
(2-methyl-2-phenoxypropanoic acid, 25j | 2-methyl-2...)
Show SMILES Cc1nc(sc1C(=O)NCc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C23H21F3N2O4S/c1-13-18(33-20(28-13)16-6-4-5-7-17(16)23(24,25)26)19(29)27-12-14-8-10-15(11-9-14)32-22(2,3)21(30)31/h4-11H,12H2,1-3H3,(H,27,29)(H,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>2.50E+4n/an/an/an/a



GSK



Assay Description
The ligand binding domain for PPAR was fused to the yeast transcription factor GAL4 DNA binding domain. CV-1 cells were transiently transfected with ...


J Med Chem 50: 685-95 (2007)


Article DOI: 10.1021/jm058056x
BindingDB Entry DOI: 10.7270/Q2RN3669
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM28718
PNG
(2-methyl-2-phenoxypropanoic acid, 25j | 2-methyl-2...)
Show SMILES Cc1nc(sc1C(=O)NCc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C23H21F3N2O4S/c1-13-18(33-20(28-13)16-6-4-5-7-17(16)23(24,25)26)19(29)27-12-14-8-10-15(11-9-14)32-22(2,3)21(30)31/h4-11H,12H2,1-3H3,(H,27,29)(H,30,31)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 808n/an/an/an/a



GSK



Assay Description
The ligand binding domain for PPAR was fused to the yeast transcription factor GAL4 DNA binding domain. CV-1 cells were transiently transfected with ...


J Med Chem 50: 685-95 (2007)


Article DOI: 10.1021/jm058056x
BindingDB Entry DOI: 10.7270/Q2RN3669
More data for this
Ligand-Target Pair