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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 = 'BDBM50240464'   
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))
BDBM50240464
PNG
((S)-2-((S)-2-amino-3-(1H-indol-3-yl)propanamido)pe...)
Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C16H19N3O5/c17-11(7-9-8-18-12-4-2-1-3-10(9)12)15(22)19-13(16(23)24)5-6-14(20)21/h1-4,8,11,13,18H,5-7,17H2,(H,19,22)(H,20,21)(H,23,24)/t11-,13-/m0/s1
PDB

UniProtKB/SwissProt

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CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 1.20E+5n/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Binding affinity to PPARalpha LBD (unknown origin) by surface plasmon resonance assay


Bioorg Med Chem Lett 24: 2957-62 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.019
BindingDB Entry DOI: 10.7270/Q2FB54HC
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50240464
PNG
((S)-2-((S)-2-amino-3-(1H-indol-3-yl)propanamido)pe...)
Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C16H19N3O5/c17-11(7-9-8-18-12-4-2-1-3-10(9)12)15(22)19-13(16(23)24)5-6-14(20)21/h1-4,8,11,13,18H,5-7,17H2,(H,19,22)(H,20,21)(H,23,24)/t11-,13-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 8.34E+4n/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Agonist activity at PPARalpha LBD (unknown origin) assessed as induction of PGC1alpha co-activator activity by TR-FRET analysis


Bioorg Med Chem Lett 24: 2957-62 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.019
BindingDB Entry DOI: 10.7270/Q2FB54HC
More data for this
Ligand-Target Pair