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BDBM50336745 4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2,6-dimethoxyphenoxy]-2-trifluoromethylbenzonitrile::CHEMBL1671988

SMILES: COc1cc(C=C2SC(O)=NC2=O)cc(OC)c1Oc1ccc(C#N)c(c1)C(F)(F)F

InChI Key: InChIKey=VZIIWAONOJFYIG-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50336745   
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
Estrogen-related receptor alpha


(Homo sapiens (Human))
BDBM50336745
PNG
(4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2,6-di...)
Show SMILES COc1cc(C=C2SC(O)=NC2=O)cc(OC)c1Oc1ccc(C#N)c(c1)C(F)(F)F |w:5.4,c:9|
Show InChI InChI=1S/C20H13F3N2O5S/c1-28-14-5-10(7-16-18(26)25-19(27)31-16)6-15(29-2)17(14)30-12-4-3-11(9-24)13(8-12)20(21,22)23/h3-8H,1-2H3,(H,25,26,27)
PDB
MMDB

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Similars

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



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at 6his-tagged ERRalpha LBD assessed as recruitment of GST-labeled coactivator Scr2 by TR-FRET assay


J Med Chem 54: 788-808 (2012)


Article DOI: 10.1021/jm101063h
BindingDB Entry DOI: 10.7270/Q208668Q
More data for this
Ligand-Target Pair