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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 = 'BDBM21776'   
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))
BDBM21776
PNG
(2-[(1S)-5-{3-[2-chloro-4-(4H-1,2,4-triazol-4-yl)ph...)
Show SMILES OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccc(cc3Cl)-n3cnnc3)ccc12 |r|
Show InChI InChI=1S/C22H22ClN3O4/c23-20-12-17(26-13-24-25-14-26)4-7-21(20)30-9-1-8-29-18-5-6-19-15(10-18)2-3-16(19)11-22(27)28/h4-7,10,12-14,16H,1-3,8-9,11H2,(H,27,28)/t16-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/an/an/a 4.48E+5n/an/an/an/a


TBA

Assay Description
Agonist activity at GST-tagged Homo sapiens (human) PPARdelta ligand binding domain after 2 hr by FRET assay


Citation and Details

Article DOI: 10.1007/s00044-011-9599-z
BindingDB Entry DOI: 10.7270/Q22J6FR8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM21776
PNG
(2-[(1S)-5-{3-[2-chloro-4-(4H-1,2,4-triazol-4-yl)ph...)
Show SMILES OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccc(cc3Cl)-n3cnnc3)ccc12 |r|
Show InChI InChI=1S/C22H22ClN3O4/c23-20-12-17(26-13-24-25-14-26)4-7-21(20)30-9-1-8-29-18-5-6-19-15(10-18)2-3-16(19)11-22(27)28/h4-7,10,12-14,16H,1-3,8-9,11H2,(H,27,28)/t16-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.23E+3n/an/an/a25



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...


J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair