BDBM588556 2-amino-9-[(2S,5R,7R,8S,10S,12aR,14R,15aS,16R)-16-fluoro-2,10-dioxido-14- (pyrimidin-4-yloxy)-2,10-disulfanyldecahydro-5,8- methanocyclopenta[1][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecin-7-yl]-1,9- dihydro-6H-purin-6-one::US11542293, Compound I-22a::US11542293, Compound I-22b

SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2COP(S)(=O)O[C@H]3C[C@@H](C[C@@H]3COP(S)(=O)O[C@@H]1[C@@H]2F)Oc1ccncn1

InChI Key InChIKey=MPRPXKJEQSGPAD-UHFFFAOYSA-N

Data  2 IC50  1 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 3 hits for monomerid = 588556   

TargetStimulator of interferon genes protein(Human)
Takeda Pharmaceutical

US Patent
LigandPNGBDBM588556(US11542293, Compound I-22b | 2-amino-9-[(2S,5R,7R,...)
Affinity DataIC50: 5.50E+3nMAssay Description:40 nL of test compounds in DMSO were added to wells in a white, 384 well microtitre plate (Greiner 784075). 2 uL STING assay buffer (PBS and 0.01% BS...More data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
2/26/2023
Entry Details
Go to US Patent

TargetStimulator of interferon genes protein(Human)
Takeda Pharmaceutical

US Patent
LigandPNGBDBM588556(US11542293, Compound I-22b | 2-amino-9-[(2S,5R,7R,...)
Affinity DataIC50: 1.00E+3nMAssay Description:40 nL of test compounds in DMSO were added to wells in a white, 384 well microtitre plate (Greiner 784075). 2 uL STING assay buffer (PBS and 0.01% BS...More data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
2/26/2023
Entry Details
Go to US Patent

TargetStimulator of interferon genes protein(Human)
Takeda Pharmaceutical

US Patent
LigandPNGBDBM588556(US11542293, Compound I-22b | 2-amino-9-[(2S,5R,7R,...)
Affinity DataEC50:  100nMAssay Description:Binding affinity to human STING incubated for 60 mins measured by competitive TR-FRET assayMore data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
3/5/2023
Entry Details Article
PubMed