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SMILES: CCOC(=O)C(Cc1ccc(OCCn2c3ccc(\C=C\c4cc(O)cc(O)c4)cc3sc2=O)cc1)OCC(F)(F)F

InChI Key: InChIKey=IZMBESAVJVDNHL-ONEGZZNKSA-N

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50282749   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50282749
PNG
(CHEMBL4159869)
Show SMILES CCOC(=O)C(Cc1ccc(OCCn2c3ccc(\C=C\c4cc(O)cc(O)c4)cc3sc2=O)cc1)OCC(F)(F)F
Show InChI InChI=1S/C30H28F3NO7S/c1-2-39-28(37)26(41-18-30(31,32)33)15-19-5-8-24(9-6-19)40-12-11-34-25-10-7-20(16-27(25)42-29(34)38)3-4-21-13-22(35)17-23(36)14-21/h3-10,13-14,16-17,26,35-36H,2,11-12,15,18H2,1H3/b4-3+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 80n/an/an/an/a



University of Lille

Curated by ChEMBL


Assay Description
Transactivation of human Gal4-fused PPARgamma LBD expressed in African green monkey COS7 cells after 24 hrs by luciferase reporter gene assay


Eur J Med Chem 137: 310-326 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.006
BindingDB Entry DOI: 10.7270/Q2KS6V2B
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50282749
PNG
(CHEMBL4159869)
Show SMILES CCOC(=O)C(Cc1ccc(OCCn2c3ccc(\C=C\c4cc(O)cc(O)c4)cc3sc2=O)cc1)OCC(F)(F)F
Show InChI InChI=1S/C30H28F3NO7S/c1-2-39-28(37)26(41-18-30(31,32)33)15-19-5-8-24(9-6-19)40-12-11-34-25-10-7-20(16-27(25)42-29(34)38)3-4-21-13-22(35)17-23(36)14-21/h3-10,13-14,16-17,26,35-36H,2,11-12,15,18H2,1H3/b4-3+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.00E+4n/an/an/an/a



University of Lille

Curated by ChEMBL


Assay Description
Transactivation of human Gal4-fused PPARalpha LBD expressed in African green monkey COS7 cells after 24 hrs by luciferase reporter gene assay


Eur J Med Chem 137: 310-326 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.006
BindingDB Entry DOI: 10.7270/Q2KS6V2B
More data for this
Ligand-Target Pair