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BDBM50138071 (2-{2-[(S)-4-(5,5-Difluoro-hexyl)-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-2-yl]-ethoxy}-phenyl)-acetic acid::CHEMBL175802

SMILES: CC(F)(F)CCCCN1C(=O)[C@H](CCOc2ccccc2CC(O)=O)Oc2ccccc12

InChI Key: InChIKey=UEKNGWKJBQFLMI-NRFANRHFSA-N

Data: 1 EC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50138071   
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))
BDBM50138071
PNG
((2-{2-[(S)-4-(5,5-Difluoro-hexyl)-3-oxo-3,4-dihydr...)
Show SMILES CC(F)(F)CCCCN1C(=O)[C@H](CCOc2ccccc2CC(O)=O)Oc2ccccc12
Show InChI InChI=1S/C24H27F2NO5/c1-24(25,26)13-6-7-14-27-18-9-3-5-11-20(18)32-21(23(27)30)12-15-31-19-10-4-2-8-17(19)16-22(28)29/h2-5,8-11,21H,6-7,12-16H2,1H3,(H,28,29)/t21-/m0/s1
PDB
MMDB

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Reactome pathway
KEGG

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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/an/a 1.00E+3n/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Agonistic activity against PPAR (peroxisome proliferator activated receptor gamma) in Suarus chinesis


J Med Chem 47: 196-209 (2003)


Article DOI: 10.1021/jm0301888
BindingDB Entry DOI: 10.7270/Q29Z9495
More data for this
Ligand-Target Pair