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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor alpha' and Ligand = 'BDBM50044625'   
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))
BDBM50044625
PNG
(CHEMBL3360190)
Show SMILES [H][C@]12CC(C)(C)[C@]1([H])CC\C=C\CCC2=C |r,t:11|
Show InChI InChI=1S/C14H22/c1-11-8-6-4-5-7-9-13-12(11)10-14(13,2)3/h4-5,12-13H,1,6-10H2,2-3H3/b5-4+/t12?,13-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Similars

Article
PubMed
n/an/an/an/a 9.58E+3n/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Agonist activity at PPAR-alpha (unknown origin) expressed in HEK293 cells by luciferase reporter gene assay


Bioorg Med Chem Lett 24: 3168-74 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.112
BindingDB Entry DOI: 10.7270/Q2SN0BK2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50044625
PNG
(CHEMBL3360190)
Show SMILES [H][C@]12CC(C)(C)[C@]1([H])CC\C=C\CCC2=C |r,t:11|
Show InChI InChI=1S/C14H22/c1-11-8-6-4-5-7-9-13-12(11)10-14(13,2)3/h4-5,12-13H,1,6-10H2,2-3H3/b5-4+/t12?,13-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 1.93E+3n/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Binding affinity to human PPAR-alpha LBD assessed as recruitment of fluorescein-labeled coactivator peptide by surface plasmon resonance method


Bioorg Med Chem Lett 24: 3168-74 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.112
BindingDB Entry DOI: 10.7270/Q2SN0BK2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50044625
PNG
(CHEMBL3360190)
Show SMILES [H][C@]12CC(C)(C)[C@]1([H])CC\C=C\CCC2=C |r,t:11|
Show InChI InChI=1S/C14H22/c1-11-8-6-4-5-7-9-13-12(11)10-14(13,2)3/h4-5,12-13H,1,6-10H2,2-3H3/b5-4+/t12?,13-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 3.20E+3n/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Agonist activity at PPAR-alpha (unknown origin) expressed in HEK293 cells by TR-FRET assay


Bioorg Med Chem Lett 24: 3168-74 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.112
BindingDB Entry DOI: 10.7270/Q2SN0BK2
More data for this
Ligand-Target Pair