BDBM50336730 4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-methoxyphenoxy]-3-trifluoromethylbenzonitrile::CHEMBL1671971

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

InChI Key InChIKey=OBBIOCQFTMNSJI-UHFFFAOYSA-N

Data  22 IC50  11 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 33 hits for monomerid = 50336730   

TargetEstrogen-related receptor gamma(Human)
Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL
LigandPNGBDBM50336730(4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...)
Affinity DataIC50: 2.80E+3nMAssay Description:Antagonist activity at ERRgamma LBD assessed as inhibition of recruitment of GST-labeled coactivator Scr2 by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetPeroxisome proliferator-activated receptor gamma(Human)
Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL
LigandPNGBDBM50336730(4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...)
Affinity DataEC50: >1.50E+4nMAssay Description:Agonist activity at human PPARgamma LBD by cell based luciferase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSteroid hormone receptor ERR1(Human)
Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL
LigandPNGBDBM50336730(4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...)
Affinity DataIC50: 600nMAssay Description:Antagonist activity at human ERRalpha LBD by cell based luciferase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSteroid hormone receptor ERR1(Human)
Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL
LigandPNGBDBM50336730(4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...)
Affinity DataIC50: 600nMAssay Description:Antagonist activity at ERRalpha LBD expressed in HEK293 cells assessed as Gal4-SRC2 interaction by two hybrid luciferase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 2D6(Human)
Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL
LigandPNGBDBM50336730(4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 3A4(Human)
Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL
LigandPNGBDBM50336730(4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetIsoform 1 of Steroid hormone receptor ERR2 (ERRbeta2-delta10)(Human)
Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL
LigandPNGBDBM50336730(4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...)
Affinity DataEC50:  1.60E+3nMAssay Description:Agonist activity at ZFP-fused ERRbeta LBD expressed in HEK293 cells by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetOxysterols receptor LXR-alpha(Human)
Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL
LigandPNGBDBM50336730(4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...)
Affinity DataEC50: >8.30E+3nMAssay Description:Agonist activity at LXRalpha by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetRetinoic acid receptor alpha(Human)
Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL
LigandPNGBDBM50336730(4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...)
Affinity DataEC50: >8.30E+3nMAssay Description:Agonist activity at RARalpha by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetPeroxisome proliferator-activated receptor alpha(Human)
Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL
LigandPNGBDBM50336730(4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...)
Affinity DataEC50: >1.50E+4nMAssay Description:Agonist activity at human PPARalpha LBD by cell based luciferase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetEstrogen receptor(Human)
Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL
LigandPNGBDBM50336730(4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...)
Affinity DataIC50: 6.30E+3nMAssay Description:Antagonist activity at ERalpha by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetEstrogen receptor beta(Human)
Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL
LigandPNGBDBM50336730(4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...)
Affinity DataEC50: >1.50E+4nMAssay Description:Agonist activity at human ERbeta LBD by cell based luciferase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetRetinoic acid receptor RXR-alpha(Human)
Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL
LigandPNGBDBM50336730(4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...)
Affinity DataEC50: >1.50E+4nMAssay Description:Agonist activity at human RXRalpha LBD by cell based luciferase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetPeroxisome proliferator-activated receptor alpha(Human)
Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL
LigandPNGBDBM50336730(4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...)
Affinity DataIC50: 1.50E+4nMAssay Description:Agonist activity at human PPARalpha LBD by cell based luciferase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetPeroxisome proliferator-activated receptor gamma(Human)
Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL
LigandPNGBDBM50336730(4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...)
Affinity DataIC50: 1.50E+4nMAssay Description:Binding affinity to PPARgamma by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetPeroxisome proliferator-activated receptor delta(Human)
Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL
LigandPNGBDBM50336730(4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...)
Affinity DataIC50: 1.50E+4nMAssay Description:Agonist activity at human PPARdelta LBD by cell based luciferase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSteroid hormone receptor ERR1(Human)
Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL
LigandPNGBDBM50336730(4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...)
Affinity DataIC50: 33nMAssay Description:Binding affinity to GST-tagged ERRalpha-LBD (unknown origin) using fluorescein-conjugated coactivator PGC-1alpha incubated for 1 hr by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetPeroxisome proliferator-activated receptor gamma(Human)
Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL
LigandPNGBDBM50336730(4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...)
Affinity DataIC50: 1.00E+4nMAssay Description:Binding affinity to PPARgamma by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetEstrogen receptor(Human)
Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL
LigandPNGBDBM50336730(4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...)
Affinity DataIC50: 2.20E+3nMAssay Description:Binding affinity to ERalpha by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetEstrogen receptor(Human)
Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL
LigandPNGBDBM50336730(4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...)
Affinity DataEC50: >1.50E+4nMAssay Description:Agonist activity at human ERalpha LBD in human MCF7 cells assessed as induction of cell proliferation after up to 6 days by celltiter-glo assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetEstrogen receptor beta(Human)
Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL
LigandPNGBDBM50336730(4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...)
Affinity DataIC50: 550nMAssay Description:Binding affinity to ERbeta by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetEstrogen-related receptor gamma(Human)
Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL
LigandPNGBDBM50336730(4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...)
Affinity DataIC50: 1.50E+4nMAssay Description:Antagonist activity at human ERRgamma LBD by cell based luciferase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetOxysterols receptor LXR-beta(Human)
Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL
LigandPNGBDBM50336730(4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...)
Affinity DataEC50: >8.30E+3nMAssay Description:Agonist activity at LXRbeta by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSteroid hormone receptor ERR1(Human)
Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL
LigandPNGBDBM50336730(4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...)
Affinity DataEC50:  900nMAssay Description:Agonist activity at 6his-tagged ERRalpha LBD assessed as recruitment of GST-labeled coactivator Scr2 by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetPeroxisome proliferator-activated receptor delta(Human)
Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL
LigandPNGBDBM50336730(4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...)
Affinity DataEC50: >1.50E+4nMAssay Description:Agonist activity at human PPARdelta LBD by cell based luciferase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSteroid hormone receptor ERR1(Human)
Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL
LigandPNGBDBM50336730(4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...)
Affinity DataIC50: 40nMAssay Description:Antagonist activity at 6his-tagged ERRalpha LBD assessed as inhibition of recruitment of GST-labeled coactivator Scr2 by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetOxysterols receptor LXR-alpha(Human)
Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL
LigandPNGBDBM50336730(4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...)
Affinity DataIC50: 8.30E+3nMAssay Description:Antagonist activity at LXRalpha by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetOxysterols receptor LXR-beta(Human)
Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL
LigandPNGBDBM50336730(4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...)
Affinity DataIC50: 8.30E+3nMAssay Description:Antagonist activity at LXRbeta by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetEstrogen receptor beta(Human)
Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL
LigandPNGBDBM50336730(4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...)
Affinity DataIC50: 6.30E+3nMAssay Description:Antagonist activity at ERbeta by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetRetinoic acid receptor alpha(Human)
Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL
LigandPNGBDBM50336730(4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...)
Affinity DataIC50: 8.30E+3nMAssay Description:Antagonist activity at RARalpha by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetEstrogen receptor(Human)
Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL
LigandPNGBDBM50336730(4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...)
Affinity DataIC50: 1.50E+4nMAssay Description:Antagonist activity at human ERalpha LBD in human MCF7 cells assessed as inhibition of estradiol-induced cell proliferation after up to 6 days by cel...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetRetinoic acid receptor RXR-alpha(Human)
Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL
LigandPNGBDBM50336730(4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...)
Affinity DataIC50: 1.50E+4nMAssay Description:Antagonist activity at human RXRalpha LBD by cell based luciferase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetEstrogen receptor beta(Human)
Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL
LigandPNGBDBM50336730(4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...)
Affinity DataIC50: 1.50E+4nMAssay Description:Antagonist activity at human ERbeta LBD by cell based luciferase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed