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BDBM50517194 CHEMBL4460559

SMILES: CCCC\C(=C/c1cc(OCc2ccc3nc(cc(OC)c3c2)C(F)(F)F)ccc1OCc1ccc(OC(F)F)cc1)C(O)=O

InChI Key: InChIKey=LQBVDJHPCQYCQH-PXLXIMEGSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50517194   
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))
BDBM50517194
PNG
(CHEMBL4460559)
Show SMILES CCCC\C(=C/c1cc(OCc2ccc3nc(cc(OC)c3c2)C(F)(F)F)ccc1OCc1ccc(OC(F)F)cc1)C(O)=O
Show InChI InChI=1S/C33H30F5NO6/c1-3-4-5-22(31(40)41)15-23-16-25(11-13-28(23)44-18-20-6-9-24(10-7-20)45-32(34)35)43-19-21-8-12-27-26(14-21)29(42-2)17-30(39-27)33(36,37)38/h6-17,32H,3-5,18-19H2,1-2H3,(H,40,41)/b22-15+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.60E+3n/an/an/an/an/an/a



Fraunhofer Institute for Molecular Biology and Applied Ecology IME

Curated by ChEMBL


Assay Description
Antagonist actvity in pFA-GAL4-DBD fused PPARgamma LBD (unknown origin) transfected in HEK293T cells assessed as inhibition of rosiglitazone-induced ...


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.115082
More data for this
Ligand-Target Pair