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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor delta (PPAR delta)' and Ligand = 'BDBM50184275'   
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 (PPAR delta)


(Homo sapiens (Human))
BDBM50184275
PNG
(2-(1-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)
Show SMILES CCCc1c(OCCCn2cnc3cc(CC(O)=O)ccc23)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C23H22F3N3O4/c1-2-4-15-19(8-6-16-21(15)33-28-22(16)23(24,25)26)32-10-3-9-29-13-27-17-11-14(12-20(30)31)5-7-18(17)29/h5-8,11,13H,2-4,9-10,12H2,1H3,(H,30,31)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PPAR delta


Bioorg Med Chem Lett 16: 3055-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.050
BindingDB Entry DOI: 10.7270/Q20V8CD6
More data for this
Ligand-Target Pair