BDBM588528 4-{[(2R,5R,7R,8R,10R,12aR,14R,15aS,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H- purin-9-yl)-16-hydroxy-2,10-dioxido-2,10-disulfanyldecahydro-5,8-methano- cyclopenta[1][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecin-14-yl]amino} pyrimidine-5-carbonitrile::US11542293, Compound I-4a::US11542293, Compound I-4b

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]2O)Nc1ncncc1C#N

InChI Key InChIKey=PXRBLXASVYGXEG-UHFFFAOYSA-N

Data  2 IC50

  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 2 hits for monomerid = 588528   

TargetStimulator of interferon genes protein(Human)
Takeda Pharmaceutical

US Patent
LigandPNGBDBM588528(4-{[(2R,5R,7R,8R,10R,12aR,14R,15aS,16R)-7-(2-amino...)
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
LigandPNGBDBM588528(4-{[(2R,5R,7R,8R,10R,12aR,14R,15aS,16R)-7-(2-amino...)
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