BDBM41309 3-methyl-7-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-8-piperidin-1-yl-purine-2,6-dione::3-methyl-7-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-8-piperidin-1-ylpurine-2,6-dione::3-methyl-7-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]propyl]-8-(1-piperidinyl)purine-2,6-dione::3-methyl-7-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]propyl]-8-piperidino-xanthine::MLS000083984::SMR000048739::cid_667409

SMILES Cc1nnc(SCCCn2c(nc3n(C)c(=O)[nH]c(=O)c23)N2CCCCC2)s1

InChI Key InChIKey=NBMNVSIJFWSQHT-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 = 41309   

TargetCathepsin S(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM41309(cid_667409 | 3-methyl-7-[3-[(5-methyl-1,3,4-thiadi...)
Affinity DataIC50: 1.52E+4nMAssay Description:Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/12/2011
Entry Details
PCBioAssay