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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor delta' and Ligand = 'BDBM50134237'   
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))
BDBM50134237
PNG
(CHEMBL3740369)
Show SMILES FC(F)(F)c1ccc(nc1)S(=O)(=O)CCNC(=O)c1ccc2CCCCc2c1
Show InChI InChI=1S/C19H19F3N2O3S/c20-19(21,22)16-7-8-17(24-12-16)28(26,27)10-9-23-18(25)15-6-5-13-3-1-2-4-14(13)11-15/h5-8,11-12H,1-4,9-10H2,(H,23,25)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 598n/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
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50134237
PNG
(CHEMBL3740369)
Show SMILES FC(F)(F)c1ccc(nc1)S(=O)(=O)CCNC(=O)c1ccc2CCCCc2c1
Show InChI InChI=1S/C19H19F3N2O3S/c20-19(21,22)16-7-8-17(24-12-16)28(26,27)10-9-23-18(25)15-6-5-13-3-1-2-4-14(13)11-15/h5-8,11-12H,1-4,9-10H2,(H,23,25)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 907n/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 2 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))
BDBM50134237
PNG
(CHEMBL3740369)
Show SMILES FC(F)(F)c1ccc(nc1)S(=O)(=O)CCNC(=O)c1ccc2CCCCc2c1
Show InChI InChI=1S/C19H19F3N2O3S/c20-19(21,22)16-7-8-17(24-12-16)28(26,27)10-9-23-18(25)15-6-5-13-3-1-2-4-14(13)11-15/h5-8,11-12H,1-4,9-10H2,(H,23,25)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.22E+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 20 mins 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