BDBM59378 2-(1,1,4-triketo-2,2-dimethyl-3H-1,5-benzothiazepin-5-yl)acetic acid::2-(2,2-dimethyl-1,1,4-trioxo-3H-1,5-benzothiazepin-5-yl)acetic acid::2-[2,2-dimethyl-1,1,4-tris(oxidanylidene)-3H-1,5-benzothiazepin-5-yl]ethanoic acid::MLS000120753::SMR000097595::cid_5307718

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

InChI Key InChIKey=XSZVWSFTLWWYOY-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 59378   

TargetE3 ubiquitin-protein ligase XIAP(Homo sapiens (Human))
Sanford-Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM59378(2-(1,1,4-triketo-2,2-dimethyl-3H-1,5-benzothiazepi...)
Affinity DataIC50:  1.00E+5nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
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