BDBM50521331 CHEMBL4557373::US11311528, Ex. 1-85

SMILES CC(C)(C)c1ccc(cc1Cl)N2[C@@H]([C@H](c3ccc(cc3C2=O)F)CC(=O)O)c4ccc5c(c4)OCCO5

InChI Key InChIKey=JAIAHSWXASHNQH-UHFFFAOYSA-N

Data  3 IC50  1 EC50

PDB links: 1 PDB ID matches this monomer.

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50521331   

LigandPNGBDBM50521331(CHEMBL4557373 | US11311528, Ex. 1-85)
Affinity DataIC50: 68nMAssay Description:Displacement of [3H]cGAMP from full length human HAQ STING expressed in Trichopulsia ni membranes preincubated for 30 mins followed by [3H]cGAMP addi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50521331(CHEMBL4557373 | US11311528, Ex. 1-85)
Affinity DataEC50: >3.00E+4nMAssay Description:Agonist activity at STING in human THP1 cells assessed as stimulation of IFNbeta production measured after 5 hrs by Alphalisa assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50521331(CHEMBL4557373 | US11311528, Ex. 1-85)
Affinity DataIC50: 1.10E+4nMAssay Description:Antagonist activity at STING in human THP1 cells assessed as inhibition of cGAMP-induced IFNbeta production pretreated for 6 hrs followed by cGAMP ad...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50521331(CHEMBL4557373 | US11311528, Ex. 1-85)
Affinity DataIC50: 68nMAssay Description:The ability of compounds to bind STING is quantified by their ability to compete with tritiated cGAMP ligand for human STING receptor membrane using ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/6/2022
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)