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BDBM50109555 3-{4-[3-(6H-Dibenzo[b,e]oxepin-11-ylidene)-propoxy]-phenyl}-2-ethoxy-propionic acid::CHEMBL354863

SMILES: CCOC(Cc1ccc(OCC\C=C2\c3ccccc3COc3ccccc23)cc1)C(O)=O

InChI Key: InChIKey=QHYIJIGBWHKSCL-MYKKPKGFSA-N

Data: 2 EC50

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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 = 50109555   
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 (PPAR alpha)


(Homo sapiens (Human))
BDBM50109555
PNG
(3-{4-[3-(6H-Dibenzo[b,e]oxepin-11-ylidene)-propoxy...)
Show SMILES CCOC(Cc1ccc(OCC\C=C2\c3ccccc3COc3ccccc23)cc1)C(O)=O
Show InChI InChI=1S/C28H28O5/c1-2-31-27(28(29)30)18-20-13-15-22(16-14-20)32-17-7-11-24-23-9-4-3-8-21(23)19-33-26-12-6-5-10-25(24)26/h3-6,8-16,27H,2,7,17-19H2,1H3,(H,29,30)/b24-11-
PDB

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Article
PubMed
n/an/an/an/a 1.24E+4n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro transactivation using receptor transactivation assay against hPPAR alpha


J Med Chem 45: 789-804 (2002)


Article DOI: 10.1021/jm010964g
BindingDB Entry DOI: 10.7270/Q2445KSG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50109555
PNG
(3-{4-[3-(6H-Dibenzo[b,e]oxepin-11-ylidene)-propoxy...)
Show SMILES CCOC(Cc1ccc(OCC\C=C2\c3ccccc3COc3ccccc23)cc1)C(O)=O
Show InChI InChI=1S/C28H28O5/c1-2-31-27(28(29)30)18-20-13-15-22(16-14-20)32-17-7-11-24-23-9-4-3-8-21(23)19-33-26-12-6-5-10-25(24)26/h3-6,8-16,27H,2,7,17-19H2,1H3,(H,29,30)/b24-11-
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antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 1.24E+4n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro transactivation using receptor transactivation assay against hPPAR gamma


J Med Chem 45: 789-804 (2002)


Article DOI: 10.1021/jm010964g
BindingDB Entry DOI: 10.7270/Q2445KSG
More data for this
Ligand-Target Pair