BDBM452961 2-fluoro-4-[(1R,5R,6S)- 6-[5-[(7-methyl-6-oxo- purin-1-yl)methyl]- 1,2,4-oxadiazol-3-yl]- 3-bicyclo[3.1.0]hex- 2-enyl]benzonitrile::US10711004, Example 283

SMILES Cn1cnc2ncn(Cc3nc(no3)[C@H]3[C@@H]4CC(=C[C@H]34)c3ccc(C#N)c(F)c3)c(=O)c12

InChI Key InChIKey=VAMUXLNWFXEYKM-UHFFFAOYSA-N

Data  2 IC50

  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 2 hits for monomerid = 452961   

LigandPNGBDBM452961(2-fluoro-4-[(1R,5R,6S)- 6-[5-[(7-methyl-6-oxo- pur...)
Affinity DataIC50: 5.30nMAssay Description:The IC50 (effective concentration) of compounds on the human TRPA1 channel was determined using a FLIPR Tetra instrument. CHO cells expressing TRPA1 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/14/2021
Entry Details
US Patent

LigandPNGBDBM452961(2-fluoro-4-[(1R,5R,6S)- 6-[5-[(7-methyl-6-oxo- pur...)
Affinity DataIC50: 19.6nMAssay Description:The IC50 (effective concentration) of compounds on the human TRPA1 channel was determined using a FLIPR Tetra instrument. CHO cells expressing TRPA1 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/14/2021
Entry Details
US Patent