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  5 EC50

PDB links: 1 PDB ID matches this monomer.

  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 5 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
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
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
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
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