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BDBM50336751 5-[3-Methoxy-4-(4-nitro-3-trifluoromethylphenoxy)benzylidene]-thiazolidine-2,4-dione::CHEMBL1671959

SMILES: COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O

InChI Key: InChIKey=ZRKIDFSLYHMIMN-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50336751   
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))
BDBM50336751
PNG
(5-[3-Methoxy-4-(4-nitro-3-trifluoromethylphenoxy)b...)
Show SMILES COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |w:5.4,c:9|
Show InChI InChI=1S/C18H11F3N2O6S/c1-28-14-6-9(7-15-16(24)22-17(25)30-15)2-5-13(14)29-10-3-4-12(23(26)27)11(8-10)18(19,20)21/h2-8H,1H3,(H,22,24,25)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 280n/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
Estrogen-related receptor alpha


(Homo sapiens (Human))
BDBM50336751
PNG
(5-[3-Methoxy-4-(4-nitro-3-trifluoromethylphenoxy)b...)
Show SMILES COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |w:5.4,c:9|
Show InChI InChI=1S/C18H11F3N2O6S/c1-28-14-6-9(7-15-16(24)22-17(25)30-15)2-5-13(14)29-10-3-4-12(23(26)27)11(8-10)18(19,20)21/h2-8H,1H3,(H,22,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at ERRalpha LBD expressed in HEK293 cells assessed as Gal4-SRC2 interaction by two hybrid luciferase reporter gene 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