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BDBM50332464 2-(2-methyl-4-((4-methyl-2-(4-(trifluoromethyl)phenyl)thiazol-5-yl)methylselanyl)phenoxy)butanoic acid::CHEMBL1630381

SMILES: CCC(Oc1ccc([Se]Cc2sc(nc2C)-c2ccc(cc2)C(F)(F)F)cc1C)C(O)=O

InChI Key: InChIKey=YMULMPRRAPDSFG-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 = 50332464   
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


(Homo sapiens (Human))
BDBM50332464
PNG
(2-(2-methyl-4-((4-methyl-2-(4-(trifluoromethyl)phe...)
Show SMILES CCC(Oc1ccc([Se]Cc2sc(nc2C)-c2ccc(cc2)C(F)(F)F)cc1C)C(O)=O
Show InChI InChI=1S/C23H22F3NO3SSe/c1-4-18(22(28)29)30-19-10-9-17(11-13(19)2)32-12-20-14(3)27-21(31-20)15-5-7-16(8-6-15)23(24,25)26/h5-11,18H,4,12H2,1-3H3,(H,28,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 83.1n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPAR-alpha expressed in african green monkey CV-1 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 7239-42 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.103
BindingDB Entry DOI: 10.7270/Q2SN0975
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50332464
PNG
(2-(2-methyl-4-((4-methyl-2-(4-(trifluoromethyl)phe...)
Show SMILES CCC(Oc1ccc([Se]Cc2sc(nc2C)-c2ccc(cc2)C(F)(F)F)cc1C)C(O)=O
Show InChI InChI=1S/C23H22F3NO3SSe/c1-4-18(22(28)29)30-19-10-9-17(11-13(19)2)32-12-20-14(3)27-21(31-20)15-5-7-16(8-6-15)23(24,25)26/h5-11,18H,4,12H2,1-3H3,(H,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+3n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPAR-gamma expressed in african green monkey CV-1 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 7239-42 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.103
BindingDB Entry DOI: 10.7270/Q2SN0975
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50332464
PNG
(2-(2-methyl-4-((4-methyl-2-(4-(trifluoromethyl)phe...)
Show SMILES CCC(Oc1ccc([Se]Cc2sc(nc2C)-c2ccc(cc2)C(F)(F)F)cc1C)C(O)=O
Show InChI InChI=1S/C23H22F3NO3SSe/c1-4-18(22(28)29)30-19-10-9-17(11-13(19)2)32-12-20-14(3)27-21(31-20)15-5-7-16(8-6-15)23(24,25)26/h5-11,18H,4,12H2,1-3H3,(H,28,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 6.20n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPAR-delta expressed in african green monkey CV-1 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 7239-42 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.103
BindingDB Entry DOI: 10.7270/Q2SN0975
More data for this
Ligand-Target Pair