BDBM452524 1-((3-((3R,5R)-5-(4- fluorophenyl)tetrahydro- furan-3-yl)-1,2,4- oxadiazol-5-yl)methyl)- 7-methyl-1,7-dihydro- 6H-purin-6-one::US10710994, Example 2::US10710994, Example 36

SMILES Cn1cnc2c1C(=O)N(C=N2)Cc3nc(no3)[C@H]4C[C@@H](OC4)c5ccc(cc5)F

InChI Key InChIKey=KVSPYEYQFMGJNK-UHFFFAOYSA-N

Data  4 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 452524   

LigandPNGBDBM452524(US10710994, Example 2 | US10710994, Example 36 | 1...)
Affinity DataIC50: 19.3nMAssay 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
Go to US Patent
PDB3D3D Structure (crystal)
LigandPNGBDBM452524(US10710994, Example 2 | US10710994, Example 36 | 1...)
Affinity DataIC50: 5.60nMAssay 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
Go to US Patent
PDB3D3D Structure (crystal)
LigandPNGBDBM452524(US10710994, Example 2 | US10710994, Example 36 | 1...)
Affinity DataIC50: 19nMAssay 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
Go to US Patent
PDB3D3D Structure (crystal)
LigandPNGBDBM452524(US10710994, Example 2 | US10710994, Example 36 | 1...)
Affinity DataIC50: 6.60nMAssay 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
Go to US Patent
PDB3D3D Structure (crystal)
LigandPNGBDBM452524(US10710994, Example 2 | US10710994, Example 36 | 1...)
In Depth
Date in BDB:
TBA
Entry Details