BDBM42347 (2,2-dimethyl-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetic acid::2-(2,2-dimethyl-4-oxidanylidene-3H-1,5-benzothiazepin-5-yl)ethanoic acid::2-(2,2-dimethyl-4-oxo-3H-1,5-benzothiazepin-5-yl)acetic acid::2-(4-keto-2,2-dimethyl-3H-1,5-benzothiazepin-5-yl)acetic acid::MLS000045978::SMR000031587::cid_2728645

SMILES CC1(C)CC(=O)N(CC(O)=O)c2ccccc2S1

InChI Key InChIKey=AKBNVAXNPUUJJF-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 = 42347   

TargetLysosomal acid glucosylceramidase(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM42347(2-(2,2-dimethyl-4-oxo-3H-1,5-benzothiazepin-5-yl)a...)
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
TargetDisulfide bond formation protein B(Escherichia coli (strain K12))
Leiden University

LigandPNGBDBM42347(2-(2,2-dimethyl-4-oxo-3H-1,5-benzothiazepin-5-yl)a...)
Affinity DataIC50: 1.68E+5nMpH: 6.2 T: 2°CAssay Description:13 fragments with strong inhibition in the single concentration point assay were chose from the micelle screen for further analysis using a biochemic...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/19/2011
Entry Details Article
PubMed