BDBM48401 7-[3-[(3,3-dimethyl-5-oxidanylidene-cyclohexen-1-yl)amino]propyl]-1,3-dimethyl-purine-2,6-dione::7-[3-[(3,3-dimethyl-5-oxo-1-cyclohexenyl)amino]propyl]-1,3-dimethylpurine-2,6-dione::7-[3-[(3,3-dimethyl-5-oxocyclohexen-1-yl)amino]propyl]-1,3-dimethylpurine-2,6-dione::7-[3-[(5-keto-3,3-dimethyl-cyclohexen-1-yl)amino]propyl]-1,3-dimethyl-xanthine::7-{3-[(3,3-dimethyl-5-oxo-1-cyclohexen-1-yl)amino]propyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione::MLS000051205::SMR000079167::cid_2965227

SMILES Cn1c2ncn(CCCNC3=CC(=O)CC(C)(C)C3)c2c(=O)n(C)c1=O

InChI Key InChIKey=TUQWPAUYQLDZEZ-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 = 48401   

TargetEstrogen receptor beta(Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM48401(7-[3-[(3,3-dimethyl-5-oxocyclohexen-1-yl)amino]pro...)
Affinity DataIC50: 5.00E+4nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/30/2011
Entry Details
PCBioAssay