BDBM50002 7-Allyl-8-azepan-1-yl-1,3-dimethyl-3,7-dihydro-purine-2,6-dione::7-allyl-8-(azepan-1-yl)-1,3-dimethyl-xanthine::8-(1-azepanyl)-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione::8-(azepan-1-yl)-1,3-dimethyl-7-prop-2-enyl-purine-2,6-dione::8-(azepan-1-yl)-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione::MLS000030597::SMR000011042::cid_653061

SMILES Cn1c2nc(N3CCCCCC3)n(CC=C)c2c(=O)n(C)c1=O

InChI Key InChIKey=YEQLEUCUAVYKSW-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50002   

LigandPNGBDBM50002(cid_653061 | 8-(azepan-1-yl)-1,3-dimethyl-7-prop-2...)
Affinity DataIC50: 5.40E+4nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/30/2011
Entry Details
PCBioAssay