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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 = 'BDBM50124376'   
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))
BDBM50124376
PNG
(4-{4-[3-(3-Phenyl-7-propyl-benzo[d]isoxazol-6-ylox...)
Show SMILES CCCc1c(OCCCOc2ccc(CCCC(O)=O)cc2)ccc2c(noc12)-c1ccccc1
Show InChI InChI=1S/C29H31NO5/c1-2-8-24-26(18-17-25-28(30-35-29(24)25)22-10-4-3-5-11-22)34-20-7-19-33-23-15-13-21(14-16-23)9-6-12-27(31)32/h3-5,10-11,13-18H,2,6-9,12,19-20H2,1H3,(H,31,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
38n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human peroxisome proliferator activated receptor delta (PPAR delta)


Bioorg Med Chem Lett 13: 931-5 (2003)


BindingDB Entry DOI: 10.7270/Q2HX1C1Z
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50124376
PNG
(4-{4-[3-(3-Phenyl-7-propyl-benzo[d]isoxazol-6-ylox...)
Show SMILES CCCc1c(OCCCOc2ccc(CCCC(O)=O)cc2)ccc2c(noc12)-c1ccccc1
Show InChI InChI=1S/C29H31NO5/c1-2-8-24-26(18-17-25-28(30-35-29(24)25)22-10-4-3-5-11-22)34-20-7-19-33-23-15-13-21(14-16-23)9-6-12-27(31)32/h3-5,10-11,13-18H,2,6-9,12,19-20H2,1H3,(H,31,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 183n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity was determined in COS1 cells transfected with GAL 4-PPAR gamma receptor


Bioorg Med Chem Lett 13: 931-5 (2003)


BindingDB Entry DOI: 10.7270/Q2HX1C1Z
More data for this
Ligand-Target Pair