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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 558.5
BDBM50463273

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   
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 gamma


(Homo sapiens (Human))
BDBM50463273
PNG
(CHEMBL4237675)
Show SMILES Cc1cc(SC(Cc2c(F)cccc2C(F)(F)F)c2ccc(cc2)-c2ccc(F)cc2)ccc1OCC(O)=O
Show InChI InChI=1S/C30H23F5O3S/c1-18-15-23(13-14-27(18)38-17-29(36)37)39-28(16-24-25(30(33,34)35)3-2-4-26(24)32)21-7-5-19(6-8-21)20-9-11-22(31)12-10-20/h2-15,28H,16-17H2,1H3,(H,36,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Transactivation of human PPARgamma expressed in monkey CV-1 cells coexpressing TK-PPRE-Luc after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 26: 4382-4389 (2018)


Article DOI: 10.1016/j.bmc.2018.06.044
BindingDB Entry DOI: 10.7270/Q2DJ5J8Z
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50463273
PNG
(CHEMBL4237675)
Show SMILES Cc1cc(SC(Cc2c(F)cccc2C(F)(F)F)c2ccc(cc2)-c2ccc(F)cc2)ccc1OCC(O)=O
Show InChI InChI=1S/C30H23F5O3S/c1-18-15-23(13-14-27(18)38-17-29(36)37)39-28(16-24-25(30(33,34)35)3-2-4-26(24)32)21-7-5-19(6-8-21)20-9-11-22(31)12-10-20/h2-15,28H,16-17H2,1H3,(H,36,37)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Transactivation of human PPARalpha expressed in monkey CV-1 cells coexpressing TK-PPRE-Luc after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 26: 4382-4389 (2018)


Article DOI: 10.1016/j.bmc.2018.06.044
BindingDB Entry DOI: 10.7270/Q2DJ5J8Z
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50463273
PNG
(CHEMBL4237675)
Show SMILES Cc1cc(SC(Cc2c(F)cccc2C(F)(F)F)c2ccc(cc2)-c2ccc(F)cc2)ccc1OCC(O)=O
Show InChI InChI=1S/C30H23F5O3S/c1-18-15-23(13-14-27(18)38-17-29(36)37)39-28(16-24-25(30(33,34)35)3-2-4-26(24)32)21-7-5-19(6-8-21)20-9-11-22(31)12-10-20/h2-15,28H,16-17H2,1H3,(H,36,37)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 38n/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Transactivation of human PPARdelta expressed in monkey CV-1 cells coexpressing TK-PPRE-Luc after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 26: 4382-4389 (2018)


Article DOI: 10.1016/j.bmc.2018.06.044
BindingDB Entry DOI: 10.7270/Q2DJ5J8Z
More data for this
Ligand-Target Pair