BDBM128237 1,7-dimethyl-9-(phenylmethyl)-3-prop-2-enyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione::3-allyl-9-benzyl-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone::9-benzyl-1,7-dimethyl-3-prop-2-enyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione::MLS001166754::SMR000641396::cid_6484568

SMILES CCOc1cc(C(N)=O)ccc1[C@H](Oc1ccc2c(c1C)OCCC2=O)c1ccncc1

InChI Key InChIKey=XZPUIKSKGZIPBT-UHFFFAOYSA-N

Data  1 IC50  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 = 128237   

TargetHLA-DR4 protein(Human)
Janssen Pharmaceutica

US Patent
LigandChemical structure of BindingDB Monomer ID 128237BDBM128237((*R)-3-ethoxy-4-(((8-methyl-4-oxochroman-7-yl)oxy)...)
Affinity DataIC50: 950nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/18/2026
Entry Details
US Patent