BDBM453549 4-(4-fluoro-5,6-dimethoxybenzo[b]thiophen- 2-yl)-4-oxobutanoic acid::US10730849, Example 14::US10730849, Example 25

SMILES COc1cc2sc(cc2c(F)c1OC)C(=O)CCC(O)=O

InChI Key InChIKey=FPHWMOHUYYVZQR-UHFFFAOYSA-N

Data  3 IC50  13 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 453549   

TargetStimulator of interferon genes protein(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM453549(4-(4-fluoro-5,6-dimethoxybenzo[b]thiophen- 2-yl)-4...)
Affinity DataEC50:  4.07E+3nMAssay Description:The individual compounds described in the Examples herein are defined as STING agonists by (i) binding to the STING protein as evidenced by a reducti...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetStimulator of interferon genes protein(Mus musculus)
Bristol Myers Squibb Research And Development

Curated by ChEMBL
LigandPNGBDBM453549(4-(4-fluoro-5,6-dimethoxybenzo[b]thiophen- 2-yl)-4...)
Affinity DataEC50:  4.20E+4nMAssay Description:Binding affinity to wild type mouse His-tagged STING cytoplasmic domain (155 to 341 residues) assessed as induction of protein dimerization incubated...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetStimulator of interferon genes protein(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM453549(4-(4-fluoro-5,6-dimethoxybenzo[b]thiophen- 2-yl)-4...)
Affinity DataEC50:  8.64E+3nMAssay Description:The individual compounds described in the Examples herein are defined as STING agonists by (i) binding to the STING protein as evidenced by a reducti...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetStimulator of interferon genes protein(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM453549(4-(4-fluoro-5,6-dimethoxybenzo[b]thiophen- 2-yl)-4...)
Affinity DataEC50:  8.64E+3nMAssay Description:The individual compounds described in the Examples herein are defined as STING agonists by (i) binding to the STING protein as evidenced by a reducti...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetStimulator of interferon genes protein(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM453549(4-(4-fluoro-5,6-dimethoxybenzo[b]thiophen- 2-yl)-4...)
Affinity DataEC50:  7.80E+4nMAssay Description:Agonist activity at STING in human THP1 Dual cells assessed as IRF reporter activation incubated for 20 hrs by quanti-blue SEAP reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetStimulator of interferon genes protein(Mus musculus)
Bristol Myers Squibb Research And Development

Curated by ChEMBL
LigandPNGBDBM453549(4-(4-fluoro-5,6-dimethoxybenzo[b]thiophen- 2-yl)-4...)
Affinity DataEC50:  7.80E+4nMAssay Description:Agonist activity at STING in mouse RAW-Lucia ISG cells assessed as IRF reporter activation incubated for 20 hrs by quanti-blue SEAP reporter gene ass...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetStimulator of interferon genes protein(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM453549(4-(4-fluoro-5,6-dimethoxybenzo[b]thiophen- 2-yl)-4...)
Affinity DataEC50: >1.00E+5nMAssay Description:Agonist activity at STING in human THP1 Dual KO-STING cells assessed as IRF reporter activation incubated for 20 hrs by quanti-blue SEAP reporter gen...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetStimulator of interferon genes protein(Mus musculus)
Bristol Myers Squibb Research And Development

Curated by ChEMBL
LigandPNGBDBM453549(4-(4-fluoro-5,6-dimethoxybenzo[b]thiophen- 2-yl)-4...)
Affinity DataEC50: >1.00E+5nMAssay Description:Agonist activity at STING in mouse RAW-Lucia ISG-KO-STING cells assessed as IRF reporter activation incubated for 20 hrs by quanti-blue SEAP reporter...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetStimulator of interferon genes protein(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM453549(4-(4-fluoro-5,6-dimethoxybenzo[b]thiophen- 2-yl)-4...)
Affinity DataEC50:  4.50E+3nMAssay Description:Agonist activity at STING in human THP1-Dual cells assessed as NF-kappaB reporter activation incubated for 20 hrs by quanti-blue SEAP reporter gene a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetStimulator of interferon genes protein(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM453549(4-(4-fluoro-5,6-dimethoxybenzo[b]thiophen- 2-yl)-4...)
Affinity DataEC50: >1.00E+5nMAssay Description:Agonist activity at STING in human THP1-Dual KO-STING cells assessed as NF-kappaB reporter activation incubated for 20 hrs by quanti-blue SEAP report...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetStimulator of interferon genes protein(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM453549(4-(4-fluoro-5,6-dimethoxybenzo[b]thiophen- 2-yl)-4...)
Affinity DataIC50:  9.40E+3nMAssay Description:Displacement of fluorescein-labelled probe from wild type human His-tagged STING cytoplasmic domain (155 to 341 residues) by time-resolved FRET-based...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetStimulator of interferon genes protein(Mus musculus)
Bristol Myers Squibb Research And Development

Curated by ChEMBL
LigandPNGBDBM453549(4-(4-fluoro-5,6-dimethoxybenzo[b]thiophen- 2-yl)-4...)
Affinity DataIC50:  7.40E+3nMAssay Description:Displacement of fluorescein-labelled probe from wild type mouse His-tagged STING cytoplasmic domain (155 to 341 residues) by time-resolved FRET-based...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetStimulator of interferon genes protein(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM453549(4-(4-fluoro-5,6-dimethoxybenzo[b]thiophen- 2-yl)-4...)
Affinity DataIC50:  1.30E+3nMAssay Description:Displacement of fluorescein-labelled probe from human cytoplasmic domain of STING G230A/R293Q double mutant (155 to 341 residues) by time-resolved FR...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetStimulator of interferon genes protein(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM453549(4-(4-fluoro-5,6-dimethoxybenzo[b]thiophen- 2-yl)-4...)
Affinity DataEC50:  2.60E+4nMAssay Description:Binding affinity to wild type human His-tagged STING cytoplasmic domain (155 to 341 residues) assessed as induction of protein dimerization incubated...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetStimulator of interferon genes protein(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM453549(4-(4-fluoro-5,6-dimethoxybenzo[b]thiophen- 2-yl)-4...)
Affinity DataEC50:  1.70E+4nMAssay Description:Binding affinity to human STING G230A/R293Q double mutant cytoplasmic domain (155 to 341 residues) assessed as induction of protein dimerization incu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetStimulator of interferon genes protein(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM453549(4-(4-fluoro-5,6-dimethoxybenzo[b]thiophen- 2-yl)-4...)
Affinity DataEC50:  4.07E+3nMAssay Description:The individual compounds described in the Examples herein are defined as STING agonists by (i) binding to the STING protein as evidenced by a reducti...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent