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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor delta' and Ligand = 'BDBM50327101'   
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))
BDBM50327101
PNG
(5-(4-Butoxy-3-{[2-fluoro-4-(trifluoromethyl)phenyl...)
Show SMILES CCCCOc1ccc(cc1CNC(=O)c1ccc(cc1F)C(F)(F)F)-c1cncc(c1)C(O)=O
Show InChI InChI=1S/C25H22F4N2O4/c1-2-3-8-35-22-7-4-15(16-10-18(24(33)34)13-30-12-16)9-17(22)14-31-23(32)20-6-5-19(11-21(20)26)25(27,28)29/h4-7,9-13H,2-3,8,14H2,1H3,(H,31,32)(H,33,34)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 220n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Partial agonist activity at human recombinant PPARdelta LBD expressed in HEK293 cells cotransfected with Gal4 assessed as beta-galactosidase activity...


Bioorg Med Chem 18: 7164-73 (2010)


Article DOI: 10.1016/j.bmc.2010.08.041
BindingDB Entry DOI: 10.7270/Q2862GN7
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50327101
PNG
(5-(4-Butoxy-3-{[2-fluoro-4-(trifluoromethyl)phenyl...)
Show SMILES CCCCOc1ccc(cc1CNC(=O)c1ccc(cc1F)C(F)(F)F)-c1cncc(c1)C(O)=O
Show InChI InChI=1S/C25H22F4N2O4/c1-2-3-8-35-22-7-4-15(16-10-18(24(33)34)13-30-12-16)9-17(22)14-31-23(32)20-6-5-19(11-21(20)26)25(27,28)29/h4-7,9-13H,2-3,8,14H2,1H3,(H,31,32)(H,33,34)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.20E+5n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116614
BindingDB Entry DOI: 10.7270/Q21Z48DS
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50327101
PNG
(5-(4-Butoxy-3-{[2-fluoro-4-(trifluoromethyl)phenyl...)
Show SMILES CCCCOc1ccc(cc1CNC(=O)c1ccc(cc1F)C(F)(F)F)-c1cncc(c1)C(O)=O
Show InChI InChI=1S/C25H22F4N2O4/c1-2-3-8-35-22-7-4-15(16-10-18(24(33)34)13-30-12-16)9-17(22)14-31-23(32)20-6-5-19(11-21(20)26)25(27,28)29/h4-7,9-13H,2-3,8,14H2,1H3,(H,31,32)(H,33,34)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 220n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Partial agonist activity at PPARdelta


J Med Chem 54: 1539-54 (2011)


Article DOI: 10.1021/jm101356p
BindingDB Entry DOI: 10.7270/Q27S7P30
More data for this
Ligand-Target Pair