BDBM44312 (2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-3-methyl-N-[(2S)-3-methyl-1-oxo-1-(phenylhydrazo)butan-2-yl]butanamide;formic acid::(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methyl-N-[(2S)-3-methyl-1-oxo-1-(2-phenylhydrazinyl)butan-2-yl]butanamide;formic acid::(2S)-2-[[(2S)-2-aminopropanoyl]amino]-N-[(1S)-1-(anilinocarbamoyl)-2-methyl-propyl]-3-methyl-butyramide;formic acid::(2S)-2-[[(2S)-2-azanylpropanoyl]amino]-3-methyl-N-[(2S)-3-methyl-1-oxidanylidene-1-(2-phenylhydrazinyl)butan-2-yl]butanamide;methanoic acid::MLS-0412127.0001::cid_44182209

SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)NNc1ccccc1

InChI Key InChIKey=IQGJYMXWHSBAEI-UHFFFAOYSA-N

Data  2 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 44312   

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

Curated by PubChem BioAssay
LigandPNGBDBM44312((2S)-2-[[(2S)-2-azanylpropanoyl]amino]-3-methyl-N-...)
Affinity DataIC50: 4.80E+3nMAssay 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:
5/25/2011
Entry Details
PCBioAssay
TargetE3 ubiquitin-protein ligase XIAP(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM44312((2S)-2-[[(2S)-2-azanylpropanoyl]amino]-3-methyl-N-...)
Affinity DataIC50: 1.51E+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:
5/25/2011
Entry Details
PCBioAssay