BDBM72847 2-(2,4-diketo-1,7-dimethyl-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl)acetic acid methyl ester::2-[1,7-dimethyl-2,4-dioxo-9-(2-phenylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetic acid methyl ester::MLS001214934::SMR000543349::cid_3646781::methyl 2-[1,7-dimethyl-2,4-bis(oxidanylidene)-9-(2-phenylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]ethanoate::methyl 2-[1,7-dimethyl-2,4-dioxo-9-(2-phenylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate

SMILES COC(=O)Cn1c(=O)n(C)c2nc3N(CCc4ccccc4)CC(C)Cn3c2c1=O

InChI Key InChIKey=XHMOIECOFIWFDZ-UHFFFAOYSA-N

Data  1 EC50

  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 1 hit for monomerid = 72847   

TargetHistamine H4 receptor(Human)
Faes Farma

US Patent
LigandChemical structure of BindingDB Monomer ID 72847BDBM72847(US12492199, Example 27)
Affinity DataIC50: 100nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/20/2026
Entry Details PCBioAssay