BDBM40476 8-[[4-(2-furoyl)piperazino]methyl]-1,3-dimethyl-7-(3-phenylpropyl)xanthine::8-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione::8-[[4-(furan-2-ylcarbonyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione::8-[[4-[2-furanyl(oxo)methyl]-1-piperazinyl]methyl]-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione::MLS000101936::SMR000017153::cid_3337960

SMILES Cn1c2nc(CN3CCN(CC3)C(=O)c3ccco3)n(CCCc3ccccc3)c2c(=O)n(C)c1=O

InChI Key InChIKey=BWGQKEDDQMXMKG-UHFFFAOYSA-N

Data  1 IC50

  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 = 40476   

TargetCollagenase 3(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM40476(8-[[4-[2-furanyl(oxo)methyl]-1-piperazinyl]methyl]...)
Affinity DataIC50: 3.98E+4nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/6/2011
Entry Details
PCBioAssay