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BDBM50349835 CHEMBL1813199

SMILES: CCCCOc1cc(ccc1CCc1ccc(CC(CC)C(O)=O)cc1)N1C(=O)c2ccccc2C1=O

InChI Key: InChIKey=LZBUJINCDZYEQT-UHFFFAOYNA-N

Data: 3 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 3 hits for monomerid = 50349835   
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))
BDBM50349835
PNG
(CHEMBL1813199)
Show SMILES CCCCOc1cc(ccc1CCc1ccc(CC(CC)C(O)=O)cc1)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1/C31H33NO5/c1-3-5-18-37-28-20-25(32-29(33)26-8-6-7-9-27(26)30(32)34)17-16-24(28)15-14-21-10-12-22(13-11-21)19-23(4-2)31(35)36/h6-13,16-17,20,23H,3-5,14-15,18-19H2,1-2H3,(H,35,36)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 7.90E+3n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma expressed in HEK293 after 8 hrs by luciferase reporter gene assay


Bioorg Med Chem 19: 3156-72 (2011)


Article DOI: 10.1016/j.bmc.2011.03.065
BindingDB Entry DOI: 10.7270/Q2K64JFX
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50349835
PNG
(CHEMBL1813199)
Show SMILES CCCCOc1cc(ccc1CCc1ccc(CC(CC)C(O)=O)cc1)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1/C31H33NO5/c1-3-5-18-37-28-20-25(32-29(33)26-8-6-7-9-27(26)30(32)34)17-16-24(28)15-14-21-10-12-22(13-11-21)19-23(4-2)31(35)36/h6-13,16-17,20,23H,3-5,14-15,18-19H2,1-2H3,(H,35,36)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.80E+3n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha expressed in HEK293 after 8 hrs by luciferase reporter gene assay


Bioorg Med Chem 19: 3156-72 (2011)


Article DOI: 10.1016/j.bmc.2011.03.065
BindingDB Entry DOI: 10.7270/Q2K64JFX
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50349835
PNG
(CHEMBL1813199)
Show SMILES CCCCOc1cc(ccc1CCc1ccc(CC(CC)C(O)=O)cc1)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1/C31H33NO5/c1-3-5-18-37-28-20-25(32-29(33)26-8-6-7-9-27(26)30(32)34)17-16-24(28)15-14-21-10-12-22(13-11-21)19-23(4-2)31(35)36/h6-13,16-17,20,23H,3-5,14-15,18-19H2,1-2H3,(H,35,36)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 3.20E+3n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at PPARdelta expressed in HEK293 after 8 hrs by luciferase reporter gene assay


Bioorg Med Chem 19: 3156-72 (2011)


Article DOI: 10.1016/j.bmc.2011.03.065
BindingDB Entry DOI: 10.7270/Q2K64JFX
More data for this
Ligand-Target Pair