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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor alpha' and Monomerid = 50164213   
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 (PPAR alpha)


(Homo sapiens (Human))
BDBM50164213
PNG
(2-Methyl-2-(4-propionyl-2,6-dipropyl-phenoxy)-prop...)
Show SMILES CCCc1cc(cc(CCC)c1OC(C)(C)C(O)=O)C(=O)CC
Show InChI InChI=1S/C19H28O4/c1-6-9-13-11-15(16(20)8-3)12-14(10-7-2)17(13)23-19(4,5)18(21)22/h11-12H,6-10H2,1-5H3,(H,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 480n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Peroxisome proliferator activated receptor alpha binding


J Med Chem 48: 2262-5 (2005)


Article DOI: 10.1021/jm048993p
BindingDB Entry DOI: 10.7270/Q2VT1RM6
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50164213
PNG
(2-Methyl-2-(4-propionyl-2,6-dipropyl-phenoxy)-prop...)
Show SMILES CCCc1cc(cc(CCC)c1OC(C)(C)C(O)=O)C(=O)CC
Show InChI InChI=1S/C19H28O4/c1-6-9-13-11-15(16(20)8-3)12-14(10-7-2)17(13)23-19(4,5)18(21)22/h11-12H,6-10H2,1-5H3,(H,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 10n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against human Peroxisome proliferator activated receptor alpha in Gal4 transactivation assay


J Med Chem 48: 2262-5 (2005)


Article DOI: 10.1021/jm048993p
BindingDB Entry DOI: 10.7270/Q2VT1RM6
More data for this
Ligand-Target Pair