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BDBM50336766 4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-methoxyphenoxy]-isophthalonitrile::CHEMBL1671962

SMILES: COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(cc1C#N)C#N

InChI Key: InChIKey=NSRYXEWCGRFDCD-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50336766   
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))
BDBM50336766
PNG
(4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...)
Show SMILES COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(cc1C#N)C#N |w:5.4,c:9|
Show InChI InChI=1S/C19H11N3O4S/c1-25-16-7-11(8-17-18(23)22-19(24)27-17)2-5-15(16)26-14-4-3-12(9-20)6-13(14)10-21/h2-8H,1H3,(H,22,23,24)
PDB
MMDB

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Similars

Article
PubMed
n/an/a 500n/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