BDBM87585 7-Ethyl-1,3-dimethyl-8-(4-propionyl-phenoxy)-3,7-dihydro-purine-2,6-dione::7-ethyl-1,3-dimethyl-8-(4-propanoylphenoxy)purine-2,6-dione::7-ethyl-1,3-dimethyl-8-(4-propionylphenoxy)xanthine::7-ethyl-1,3-dimethyl-8-[4-(1-oxopropyl)phenoxy]purine-2,6-dione::MLS001208850::SMR000525053::cid_5300283

SMILES CCC(=O)c1ccc(Oc2nc3n(C)c(=O)n(C)c(=O)c3n2CC)cc1

InChI Key InChIKey=FBNXZXZTDRYJKK-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 87585   

TargetNuclear receptor coactivator 3(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM87585(cid_5300283 | MLS001208850 | 7-Ethyl-1,3-dimethyl-...)
Affinity DataIC50: 2.87E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/19/2012
Entry Details
PCBioAssay