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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 = 'BDBM21753'   
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))
BDBM21753
PNG
(2-[(1S)-5-(3-phenoxypropoxy)-2,3-dihydro-1H-inden-...)
Show SMILES OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccccc3)ccc12 |r|
Show InChI InChI=1S/C20H22O4/c21-20(22)14-16-8-7-15-13-18(9-10-19(15)16)24-12-4-11-23-17-5-2-1-3-6-17/h1-3,5-6,9-10,13,16H,4,7-8,11-12,14H2,(H,21,22)/t16-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Guangdong Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at human GAL4 fused PPARalpha-LBD expressed in human HepG2 cells after 18 hrs by luciferase reporter gene assay


Eur J Med Chem 159: 267-276 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.071
BindingDB Entry DOI: 10.7270/Q27D2XTM
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM21753
PNG
(2-[(1S)-5-(3-phenoxypropoxy)-2,3-dihydro-1H-inden-...)
Show SMILES OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccccc3)ccc12 |r|
Show InChI InChI=1S/C20H22O4/c21-20(22)14-16-8-7-15-13-18(9-10-19(15)16)24-12-4-11-23-17-5-2-1-3-6-17/h1-3,5-6,9-10,13,16H,4,7-8,11-12,14H2,(H,21,22)/t16-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+4n/an/a7.422



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