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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 Ligand = 'BDBM50171987'   
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


(Canis familiaris)
BDBM50171987
PNG
(2-Benzyl-5-[3-(2-chloro-4-trifluoromethoxy-phenoxy...)
Show SMILES OC(=O)C1(Cc2ccccc2)Cc2cc(OCCCOc3ccc(OC(F)(F)F)cc3Cl)ccc2O1
Show InChI InChI=1S/C26H22ClF3O6/c27-21-14-20(35-26(28,29)30)8-10-23(21)34-12-4-11-33-19-7-9-22-18(13-19)16-25(36-22,24(31)32)15-17-5-2-1-3-6-17/h1-3,5-10,13-14H,4,11-12,15-16H2,(H,31,32)
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PC cid
PC sid
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Article
PubMed
n/an/an/an/a>3.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against canine PPAR-alpha in Gal4 transactivation assay


J Med Chem 48: 5589-99 (2005)


Article DOI: 10.1021/jm050373g
BindingDB Entry DOI: 10.7270/Q25T3K0M
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50171987
PNG
(2-Benzyl-5-[3-(2-chloro-4-trifluoromethoxy-phenoxy...)
Show SMILES OC(=O)C1(Cc2ccccc2)Cc2cc(OCCCOc3ccc(OC(F)(F)F)cc3Cl)ccc2O1
Show InChI InChI=1S/C26H22ClF3O6/c27-21-14-20(35-26(28,29)30)8-10-23(21)34-12-4-11-33-19-7-9-22-18(13-19)16-25(36-22,24(31)32)15-17-5-2-1-3-6-17/h1-3,5-10,13-14H,4,11-12,15-16H2,(H,31,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>3.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against hamster PPAR-alpha in Gal4 transactivation assay


J Med Chem 48: 5589-99 (2005)


Article DOI: 10.1021/jm050373g
BindingDB Entry DOI: 10.7270/Q25T3K0M
More data for this
Ligand-Target Pair