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BDBM50336765 2-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-methoxyphenoxy]-benzonitrile::CHEMBL1671961

SMILES: COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccccc1C#N

InChI Key: InChIKey=IKFSJCWVARURCZ-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50336765   
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))
BDBM50336765
PNG
(2-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...)
Show SMILES COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccccc1C#N |w:5.4,c:9|
Show InChI InChI=1S/C18H12N2O4S/c1-23-15-8-11(9-16-17(21)20-18(22)25-16)6-7-14(15)24-13-5-3-2-4-12(13)10-19/h2-9H,1H3,(H,20,21,22)
PDB
MMDB

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Similars

Article
PubMed
n/an/a 2.40E+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