BDBM50189516 6-amino-9-benzyl-2-(2-methoxyethoxy)-7H-purin-8(9H)-one::6-amino-9-benzyl-2-(2-methoxyethoxy)-9H-purin-8-ol::9-benzyl-2-(2-methoxyethoxy)-8-oxoadenine::9-benzyl-2-methoxyethoxy-8-oxoadenine::CHEMBL210884::SM-360320

SMILES COCCOc1nc(c2c(n1)N(C(=O)N2)Cc3ccccc3)N

InChI Key InChIKey=YYCDGEZXHXHLGW-UHFFFAOYSA-N

Data  1 IC50  4 EC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50189516   

TargetToll-like receptor 7(Human)
Dainippon Sumitomo Pharma

Curated by ChEMBL
LigandPNGBDBM50189516(9-benzyl-2-(2-methoxyethoxy)-8-oxoadenine | SM-360...)
Affinity DataEC50:  399nMAssay Description:Agonist activity at human TLR7 expressed in HEK293 cells coexpressing pNiFty2-SEAP reporter by reporter gene assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/18/2010
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetToll-like receptor 7(Human)
Dainippon Sumitomo Pharma

Curated by ChEMBL
LigandPNGBDBM50189516(9-benzyl-2-(2-methoxyethoxy)-8-oxoadenine | SM-360...)
Affinity DataEC50:  1.17E+3nMAssay Description:Agonist activity at human TLR7 expressed in HEK293 cells assessed as induction of NFKappaB activity after 24 hrs by SEAP reporter gene assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetToll-like receptor 7(Human)
Dainippon Sumitomo Pharma

Curated by ChEMBL
LigandPNGBDBM50189516(9-benzyl-2-(2-methoxyethoxy)-8-oxoadenine | SM-360...)
Affinity DataEC50:  944nMAssay Description:Agonist activity at TLR7 in human PBMC assessed as induction of IN-12 stimulationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/22/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50189516(9-benzyl-2-(2-methoxyethoxy)-8-oxoadenine | SM-360...)
Affinity DataIC50: 2.81E+3nMAssay Description:Inhibition of MTH1 (unknown origin) using 8-oxo-dGTP as substrate preincubated for 15 mins followed by substrate addition and measured after 20 mins ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/22/2022
Entry Details Article
PubMed
TargetToll-like receptor 7(Human)
Dainippon Sumitomo Pharma

Curated by ChEMBL
LigandPNGBDBM50189516(9-benzyl-2-(2-methoxyethoxy)-8-oxoadenine | SM-360...)
Affinity DataEC50:  140nMAssay Description:Agonist activity at TLR7 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2024
Entry Details
PubMedPDB3D3D Structure (crystal)