BDBM41312 2-(3-butoxyquinoxalin-2-yl)-2-(phenylsulfonyl)ethanenitrile::2-(benzenesulfonyl)-2-(3-butoxy-2-quinoxalinyl)acetonitrile::2-(benzenesulfonyl)-2-(3-butoxyquinoxalin-2-yl)acetonitrile::2-besyl-2-(3-butoxyquinoxalin-2-yl)acetonitrile::MLS000048714::SMR000060258::cid_2998732

SMILES CCCCOc1nc2ccccc2nc1C(C#N)S(=O)(=O)c1ccccc1

InChI Key InChIKey=IBDCCLWQMGOTKO-UHFFFAOYSA-N

Data  1 IC50  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 2 hits for monomerid = 41312   

TargetCathepsin S(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM41312(SMR000060258 | MLS000048714 | 2-(benzenesulfonyl)-...)
Affinity DataIC50: 5.00E+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
TargetLysosomal acid glucosylceramidase(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM41312(SMR000060258 | MLS000048714 | 2-(benzenesulfonyl)-...)
Affinity DataEC50: >5.00E+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:
5/20/2011
Entry Details
PCBioAssay