BDBM59347 1-[(2-keto-2-piperidino-ethyl)thio]-4-o-anisyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one::4-[(2-methoxyphenyl)methyl]-1-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one::4-[(2-methoxyphenyl)methyl]-1-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one::4-[(2-methoxyphenyl)methyl]-1-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-[1,2,4]triazolo[4,3-a]quinazolin-5-one::MLS000098452::SMR000065075::cid_2591729

SMILES COc1ccccc1Cn1c2nnc(SCC(=O)N3CCCCC3)n2c2ccccc2c1=O

InChI Key InChIKey=ZICMJEVNIZQLQY-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 59347   

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

Curated by PubChem BioAssay
LigandPNGBDBM59347(4-[(2-methoxyphenyl)methyl]-1-(2-oxidanylidene-2-p...)
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
In Depth
Date in BDB:
7/8/2011
Entry Details
PCBioAssay