BDBM453551 4-(5,6-dimethoxybenzo[b]thiophen-2-yl)-4- oxobutanoic acid::US10730849, Example 16

SMILES COc1cc2cc(sc2cc1OC)C(=O)CCC(O)=O

InChI Key InChIKey=APCLRHPWFCQIMG-UHFFFAOYSA-N

Data  1 IC50  9 EC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 453551   

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

US Patent
LigandPNGBDBM453551(4-(5,6-dimethoxybenzo[b]thiophen-2-yl)-4- oxobutan...)
Affinity DataEC50:  1.72E+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
In DepthDetails US Patent
PDB3D3D Structure (crystal)

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

US Patent
LigandPNGBDBM453551(4-(5,6-dimethoxybenzo[b]thiophen-2-yl)-4- oxobutan...)
Affinity DataEC50:  2.48E+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
In DepthDetails US Patent
PDB3D3D Structure (crystal)

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

US Patent
LigandPNGBDBM453551(4-(5,6-dimethoxybenzo[b]thiophen-2-yl)-4- oxobutan...)
Affinity DataEC50:  2.40E+4nMAssay Description:Agonist activity at wild type human STING expressed in baculovirus infected Sf21 insect cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

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

US Patent
LigandPNGBDBM453551(4-(5,6-dimethoxybenzo[b]thiophen-2-yl)-4- oxobutan...)
Affinity DataEC50:  8.30E+3nMAssay Description:Agonist activity at human STING HAQ mutantMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

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

US Patent
LigandPNGBDBM453551(4-(5,6-dimethoxybenzo[b]thiophen-2-yl)-4- oxobutan...)
Affinity DataEC50:  3.51E+3nMAssay Description:Agonist activity at human STING in human THP1-Blue ISG cells incubated for 24 hrs in presence of PMA by luciferase reporter assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetStimulator of interferon genes protein(Mouse)
Fudan University

Curated by ChEMBL
LigandPNGBDBM453551(4-(5,6-dimethoxybenzo[b]thiophen-2-yl)-4- oxobutan...)
Affinity DataEC50:  3.45E+4nMAssay Description:Agonist activity at mouse STING in mouse RAW-Lucia ISG cells incubated for 24 hrs in presence of PMA by luciferase reporter assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

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

US Patent
LigandPNGBDBM453551(4-(5,6-dimethoxybenzo[b]thiophen-2-yl)-4- oxobutan...)
Affinity DataEC50: >1.00E+5nMAssay Description:Agonist activity at human STING in STING knockout human THP1-Blue ISG cells incubated for 24 hrs in presence of PMA by luciferase reporter assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetStimulator of interferon genes protein(Mouse)
Fudan University

Curated by ChEMBL
LigandPNGBDBM453551(4-(5,6-dimethoxybenzo[b]thiophen-2-yl)-4- oxobutan...)
Affinity DataEC50: >2.00E+5nMAssay Description:Agonist activity at mouse STING in STING knockout mouse RAW-Lucia ISG cells incubated for 24 hrs in presence of PMA by luciferase reporter assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

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

US Patent
LigandPNGBDBM453551(4-(5,6-dimethoxybenzo[b]thiophen-2-yl)-4- oxobutan...)
Affinity DataEC50:  8.14E+3nMAssay Description:Agonist activity at STING in human THP1-Dual cells assessed as ISG pathway activation incubated for 24 hrs by Quanti-Luc or Quanti-blue reagent based...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)