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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor delta' and Ligand = 'BDBM50134238'   
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 delta


(Homo sapiens (Human))
BDBM50134238
PNG
(CHEMBL3740002)
Show SMILES FC(F)(F)c1ccc(nc1)S(=O)(=O)CCNC(=O)c1cnc2ccccc2c1
Show InChI InChI=1S/C18H14F3N3O3S/c19-18(20,21)14-5-6-16(24-11-14)28(26,27)8-7-22-17(25)13-9-12-3-1-2-4-15(12)23-10-13/h1-6,9-11H,7-8H2,(H,22,25)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 241n/an/an/an/an/an/a



University of Oslo

Curated by ChEMBL


Assay Description
Binding affinity to GST-PPAR-beta/delta LBP (unknown origin) after 24 hrs by TR-FRET assay


Bioorg Med Chem 24: 247-60 (2016)


Article DOI: 10.1016/j.bmc.2015.12.012
BindingDB Entry DOI: 10.7270/Q2Z89F70
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50134238
PNG
(CHEMBL3740002)
Show SMILES FC(F)(F)c1ccc(nc1)S(=O)(=O)CCNC(=O)c1cnc2ccccc2c1
Show InChI InChI=1S/C18H14F3N3O3S/c19-18(20,21)14-5-6-16(24-11-14)28(26,27)8-7-22-17(25)13-9-12-3-1-2-4-15(12)23-10-13/h1-6,9-11H,7-8H2,(H,22,25)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.43E+3n/an/an/an/an/an/a



University of Oslo

Curated by ChEMBL


Assay Description
Binding affinity to GST-PPAR-beta/delta LBP (unknown origin) after 3 hrs by TR-FRET assay


Bioorg Med Chem 24: 247-60 (2016)


Article DOI: 10.1016/j.bmc.2015.12.012
BindingDB Entry DOI: 10.7270/Q2Z89F70
More data for this
Ligand-Target Pair