BDBM55874 1,3-dimethyl-8-(2-pyrrolidin-1-ylethylsulfanyl)-6-sulfanylidene-7H-purin-2-one::1,3-dimethyl-8-(2-pyrrolidinoethylthio)-6-thioxo-7H-purin-2-one::1,3-dimethyl-8-[2-(1-pyrrolidinyl)ethylthio]-6-sulfanylidene-7H-purin-2-one::MLS000737206::SMR000528466::Theophylline, 8-[(2-pyrrolidinoethyl)thio]-6-thio-::cid_3034554

SMILES Cn1c2nc(SCCN3CCCC3)[nH]c2c(=S)n(C)c1=O

InChI Key InChIKey=KLAIFKHPSDRWRR-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 = 55874   

TargetNeutrophil cytosol factor 1 [S99G](Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM55874(SMR000528466 | MLS000737206 | Theophylline, 8-[(2-...)
Affinity DataIC50: 5.00E+4nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/7/2011
Entry Details
PCBioAssay