BDBM83845 6-Thio-8-N-butylthiotheophylline::8-(butylthio)-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one::8-(butylthio)-1,3-dimethyl-6-thioxo-7H-purin-2-one::8-butylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one::MLS002703310::SMR001570033::cid_3034531

SMILES CCCCSc1nc2n(C)c(=O)n(C)c(=S)c2[nH]1

InChI Key InChIKey=JTKHAEGWWHAFTM-UHFFFAOYSA-N

Data  1 EC50

  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 = 83845   

TargetOrotidine 5'-phosphate decarboxylase(Aspergillus niger)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM83845(8-butylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-pu...)
Affinity DataEC50: >5.95E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/5/2012
Entry Details
PCBioAssay