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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 = 'BDBM21810'   
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


(Homo sapiens (Human))
BDBM21810
PNG
(2-[(1S)-5-(3-{4-[5-(dimethylcarbamoyl)-4-methyl-1,...)
Show SMILES COc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc(C)c(s1)C(=O)N(C)C |r|
Show InChI InChI=1S/C28H32N2O6S/c1-17-26(28(33)30(2)3)37-27(29-17)20-8-11-23(24(15-20)34-4)36-13-5-12-35-21-9-10-22-18(14-21)6-7-19(22)16-25(31)32/h8-11,14-15,19H,5-7,12-13,16H2,1-4H3,(H,31,32)/t19-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
n/an/an/an/a 1.25E+6n/an/an/an/a


TBA

Assay Description
Agonist activity at GST-tagged Homo sapiens (human) PPARalpha 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 alpha


(Homo sapiens (Human))
BDBM21810
PNG
(2-[(1S)-5-(3-{4-[5-(dimethylcarbamoyl)-4-methyl-1,...)
Show SMILES COc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc(C)c(s1)C(=O)N(C)C |r|
Show InChI InChI=1S/C28H32N2O6S/c1-17-26(28(33)30(2)3)37-27(29-17)20-8-11-23(24(15-20)34-4)36-13-5-12-35-21-9-10-22-18(14-21)6-7-19(22)16-25(31)32/h8-11,14-15,19H,5-7,12-13,16H2,1-4H3,(H,31,32)/t19-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 803n/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