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BDBM50282761 CHEMBL4167789

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

InChI Key: InChIKey=MXQRCRVOWUCIGF-AATRIKPKSA-N

Data: 2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50282761   
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


(Homo sapiens (Human))
BDBM50282761
PNG
(CHEMBL4167789)
Show SMILES CCOC(Cc1ccc(OCCn2c3ccc(\C=C\c4cc(OC)cc(OC)c4)cc3sc2=O)cc1)C(O)=O
Show InChI InChI=1S/C30H31NO7S/c1-4-37-27(29(32)33)17-20-7-10-23(11-8-20)38-14-13-31-26-12-9-21(18-28(26)39-30(31)34)5-6-22-15-24(35-2)19-25(16-22)36-3/h5-12,15-16,18-19,27H,4,13-14,17H2,1-3H3,(H,32,33)/b6-5+
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
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50282761
PNG
(CHEMBL4167789)
Show SMILES CCOC(Cc1ccc(OCCn2c3ccc(\C=C\c4cc(OC)cc(OC)c4)cc3sc2=O)cc1)C(O)=O
Show InChI InChI=1S/C30H31NO7S/c1-4-37-27(29(32)33)17-20-7-10-23(11-8-20)38-14-13-31-26-12-9-21(18-28(26)39-30(31)34)5-6-22-15-24(35-2)19-25(16-22)36-3/h5-12,15-16,18-19,27H,4,13-14,17H2,1-3H3,(H,32,33)/b6-5+
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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