BDBM44354 MLS-0425210.0001::benzyl N-[(5S)-5-[[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]amino]-6-oxo-6-(2-phenylhydrazinyl)hexyl]carbamate;formic acid::cid_44229038::formic acid;N-[(5S)-5-[[(2S)-3-methyl-2-[[(2S)-2-(methylamino)-1-oxopropyl]amino]-1-oxobutyl]amino]-6-oxo-6-(phenylhydrazo)hexyl]carbamic acid (phenylmethyl) ester::formic acid;N-[(5S)-6-keto-5-[[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]amino]-6-(N'-phenylhydrazino)hexyl]carbamic acid benzyl ester::methanoic acid;(phenylmethyl) N-[(5S)-5-[[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]amino]-6-oxidanylidene-6-(2-phenylhydrazinyl)hexyl]carbamate

SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)NNc1ccccc1

InChI Key InChIKey=GDWMNHADUXJFLL-UHFFFAOYSA-N

Data  2 IC50

  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 = 44354   

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

Curated by PubChem BioAssay
LigandPNGBDBM44354(benzyl N-[(5S)-5-[[(2S)-3-methyl-2-[[(2S)-2-(methy...)
Affinity DataIC50: 5.50E+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
LigandPNGBDBM44354(benzyl N-[(5S)-5-[[(2S)-3-methyl-2-[[(2S)-2-(methy...)
Affinity DataIC50: 2.90E+4nMAssay 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