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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 528.4
BDBM50332465

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50332465
PNG
(2-methyl-2-(2-methyl-4-((4-methyl-2-(4-(trifluorom...)
Show SMILES Cc1nc(sc1C[Se]c1ccc(OC(C)(C)C(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H22F3NO3SSe/c1-13-11-17(9-10-18(13)30-22(3,4)21(28)29)32-12-19-14(2)27-20(31-19)15-5-7-16(8-6-15)23(24,25)26/h5-11H,12H2,1-4H3,(H,28,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 15.2n/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))
BDBM50332465
PNG
(2-methyl-2-(2-methyl-4-((4-methyl-2-(4-(trifluorom...)
Show SMILES Cc1nc(sc1C[Se]c1ccc(OC(C)(C)C(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H22F3NO3SSe/c1-13-11-17(9-10-18(13)30-22(3,4)21(28)29)32-12-19-14(2)27-20(31-19)15-5-7-16(8-6-15)23(24,25)26/h5-11H,12H2,1-4H3,(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 100n/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))
BDBM50332465
PNG
(2-methyl-2-(2-methyl-4-((4-methyl-2-(4-(trifluorom...)
Show SMILES Cc1nc(sc1C[Se]c1ccc(OC(C)(C)C(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H22F3NO3SSe/c1-13-11-17(9-10-18(13)30-22(3,4)21(28)29)32-12-19-14(2)27-20(31-19)15-5-7-16(8-6-15)23(24,25)26/h5-11H,12H2,1-4H3,(H,28,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 4.5n/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