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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 = 'BDBM50121424'   
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))
BDBM50121424
PNG
(CHEMBL119111 | Lithium; 5-(6-chloro-pyrazin-2-ylox...)
Show SMILES [O-]C(=O)c1cc(Oc2cncc(Cl)n2)ccc1NC(=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C18H10Cl3N3O4/c19-9-1-3-11(13(20)5-9)17(25)23-14-4-2-10(6-12(14)18(26)27)28-16-8-22-7-15(21)24-16/h1-8H,(H,23,25)(H,26,27)/p-1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
2.10E+4n/an/an/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
Ligand binding affinity was determined by displacement of a tritiated tracer by the unlabeled compound to a GST-PPAR fusion protein for Peroxisome pr...


Bioorg Med Chem Lett 12: 3565-7 (2002)


BindingDB Entry DOI: 10.7270/Q2Q23ZK5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50121424
PNG
(CHEMBL119111 | Lithium; 5-(6-chloro-pyrazin-2-ylox...)
Show SMILES [O-]C(=O)c1cc(Oc2cncc(Cl)n2)ccc1NC(=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C18H10Cl3N3O4/c19-9-1-3-11(13(20)5-9)17(25)23-14-4-2-10(6-12(14)18(26)27)28-16-8-22-7-15(21)24-16/h1-8H,(H,23,25)(H,26,27)/p-1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
Transactivation potency was measured by luciferase activity in Caco- 2/TC7 cells transiently co-transfected for the fusion-protein Gal4-PPAR gamma


Bioorg Med Chem Lett 12: 3565-7 (2002)


BindingDB Entry DOI: 10.7270/Q2Q23ZK5
More data for this
Ligand-Target Pair