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

InChI Key: InChIKey=JWEWCJIKBAXRBJ-BQYQJAHWSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50282752   
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 alpha


(Homo sapiens (Human))
BDBM50282752
PNG
(CHEMBL4174598)
Show SMILES CCOC(Cc1ccc(OCCn2c3ccc(\C=C\c4cc(OC)cc(OC)c4)cc3sc2=O)cc1)C(=O)OCC
Show InChI InChI=1S/C32H35NO7S/c1-5-38-29(31(34)39-6-2)19-22-9-12-25(13-10-22)40-16-15-33-28-14-11-23(20-30(28)41-32(33)35)7-8-24-17-26(36-3)21-27(18-24)37-4/h7-14,17-18,20-21,29H,5-6,15-16,19H2,1-4H3/b8-7+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.00E+3n/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
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50282752
PNG
(CHEMBL4174598)
Show SMILES CCOC(Cc1ccc(OCCn2c3ccc(\C=C\c4cc(OC)cc(OC)c4)cc3sc2=O)cc1)C(=O)OCC
Show InChI InChI=1S/C32H35NO7S/c1-5-38-29(31(34)39-6-2)19-22-9-12-25(13-10-22)40-16-15-33-28-14-11-23(20-30(28)41-32(33)35)7-8-24-17-26(36-3)21-27(18-24)37-4/h7-14,17-18,20-21,29H,5-6,15-16,19H2,1-4H3/b8-7+
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<10n/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