BDBM576125 2-amino-9-[(5R,7R,8S,12aR,14R,15R, 15aS,18S)-14-(6-amino-9H-purin-9-yl)- 18-fluoro-10-hydroxy-2-sulfanyl-2,10- disulfidohexahydro-14H-15,12a- (epoxymethano)-5,8-methanofuro[3,2- 1][1,3,6,9,11,2,10] pentaoxadiphosphacyclotetradecin- 7(12H)-yl]-1,9-dihydro-6H- purin-6-one::US11466047, Example 9

SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2COP(S)(=S)O[C@H]3[C@H]4OCC3(COP(O)(=S)O[C@@H]1[C@H]2F)O[C@H]4n1cnc2c(N)ncnc12

InChI Key InChIKey=XYTPKCGMBXSMAS-UHFFFAOYSA-N

Data  1 EC50

  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 1 hit for monomerid = 576125   

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

US Patent
LigandPNGBDBM576125(US11466047, Example 9 | 2-amino-9-[(5R,7R,8S,12aR,...)
Affinity DataEC50:  349nMAssay Description:The compounds were serially titrated by the Hamilton STARPlus CORE in a 96-well plate (Greiner, #651201) using a 1:3 ten-point dose response format. ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/11/2022
Entry Details
US Patent