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BDBM50336746 4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)naphthalen-1-yloxy]-2-trifluoromethylbenzonitrile::CHEMBL1671989

SMILES: OC1=NC(=O)C(S1)=Cc1ccc(Oc2ccc(C#N)c(c2)C(F)(F)F)c2ccccc12

InChI Key: InChIKey=CIRQREHSLLSRKH-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50336746   
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))
BDBM50336746
PNG
(4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)naphtha...)
Show SMILES OC1=NC(=O)C(S1)=Cc1ccc(Oc2ccc(C#N)c(c2)C(F)(F)F)c2ccccc12 |w:7.8,t:1|
Show InChI InChI=1S/C22H11F3N2O3S/c23-22(24,25)17-10-14(7-5-13(17)11-26)30-18-8-6-12(15-3-1-2-4-16(15)18)9-19-20(28)27-21(29)31-19/h1-10H,(H,27,28,29)
PDB
MMDB

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Similars

Article
PubMed
n/an/a 2.60E+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