BindingDB logo
myBDB logout

BDBM50336744 4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-3-methoxyphenoxy]-2-trifluoromethylbenzonitrile::CHEMBL1671987

SMILES: COc1cc(Oc2ccc(C#N)c(c2)C(F)(F)F)ccc1C=C1SC(O)=NC1=O

InChI Key: InChIKey=OFHMHEXLLMJZTE-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50336744   
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))
BDBM50336744
PNG
(4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-3-meth...)
Show SMILES COc1cc(Oc2ccc(C#N)c(c2)C(F)(F)F)ccc1C=C1SC(O)=NC1=O |w:21.22,c:27|
Show InChI InChI=1S/C19H11F3N2O4S/c1-27-15-8-13(4-2-10(15)6-16-17(25)24-18(26)29-16)28-12-5-3-11(9-23)14(7-12)19(20,21)22/h2-8H,1H3,(H,24,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 730n/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