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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor delta' and Ligand = 'BDBM50106105'   
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 delta


(Homo sapiens (Human))
BDBM50106105
PNG
(2-[3-(3-{(2,4-Bis-trifluoromethyl-benzyl)-[2-(4-tr...)
Show SMILES CC(C)(Oc1cccc(CCCN(Cc2ccc(cc2C(F)(F)F)C(F)(F)F)C(=O)Cc2ccc(cc2)C(F)(F)F)c1)C(O)=O
Show InChI InChI=1S/C31H28F9NO4/c1-28(2,27(43)44)45-24-7-3-5-19(15-24)6-4-14-41(26(42)16-20-8-11-22(12-9-20)29(32,33)34)18-21-10-13-23(30(35,36)37)17-25(21)31(38,39)40/h3,5,7-13,15,17H,4,6,14,16,18H2,1-2H3,(H,43,44)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 19n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonistic transcriptional activity in CV-1 cells expressing Gal4-PPAR delta chimera


Bioorg Med Chem Lett 11: 2959-62 (2001)


BindingDB Entry DOI: 10.7270/Q2V69HWQ
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Mus musculus)
BDBM50106105
PNG
(2-[3-(3-{(2,4-Bis-trifluoromethyl-benzyl)-[2-(4-tr...)
Show SMILES CC(C)(Oc1cccc(CCCN(Cc2ccc(cc2C(F)(F)F)C(F)(F)F)C(=O)Cc2ccc(cc2)C(F)(F)F)c1)C(O)=O
Show InChI InChI=1S/C31H28F9NO4/c1-28(2,27(43)44)45-24-7-3-5-19(15-24)6-4-14-41(26(42)16-20-8-11-22(12-9-20)29(32,33)34)18-21-10-13-23(30(35,36)37)17-25(21)31(38,39)40/h3,5,7-13,15,17H,4,6,14,16,18H2,1-2H3,(H,43,44)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 19n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity against PPAR delta


Bioorg Med Chem Lett 11: 2959-62 (2001)


BindingDB Entry DOI: 10.7270/Q2V69HWQ
More data for this
Ligand-Target Pair