BDBM452945 7-methyl-1-[[3- [(1R,5R,6S)-3-(1,3- benzoxazol-5-yl)-6- bicyclo[3.1.0]hex-2- enyl]-1,2,4-oxadiazol- 5-yl]methyl]purin-6- one::US10711004, Example 267

SMILES Cn1cnc2ncn(Cc3nc(no3)[C@H]3[C@@H]4CC(=C[C@H]34)c3ccc4oncc4c3)c(=O)c12

InChI Key InChIKey=NOOQUZUAODSSGX-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 = 452945   

LigandPNGBDBM452945(7-methyl-1-[[3- [(1R,5R,6S)-3-(1,3- benzoxazol-5-y...)
Affinity DataIC50: 4.40nMAssay 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

LigandPNGBDBM452945(7-methyl-1-[[3- [(1R,5R,6S)-3-(1,3- benzoxazol-5-y...)
Affinity DataIC50: 13.9nMAssay 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