BDBM44326 (2S)-N-[(1S)-1-(anilinocarbamoyl)-2-hydroxy-propyl]-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butyramide;formic acid::MLS-0412168.0001::cid_44182245::formic acid;(2S)-N-[(2S)-3-hydroxy-1-oxo-1-(2-phenylhydrazinyl)butan-2-yl]-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanamide::formic acid;(2S)-N-[(2S)-3-hydroxy-1-oxo-1-(phenylhydrazo)butan-2-yl]-3-methyl-2-[[(2S)-2-(methylamino)-1-oxopropyl]amino]butanamide::methanoic acid;(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]-N-[(2S)-3-oxidanyl-1-oxidanylidene-1-(2-phenylhydrazinyl)butan-2-yl]butanamide

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

InChI Key InChIKey=YOBWRFPWSISANW-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 44326   

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 44326BDBM44326(cid_44182245 | methanoic acid;(2S)-3-methyl-2-[[(2...)
Affinity DataIC50: 8.90E+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
LigandChemical structure of BindingDB Monomer ID 44326BDBM44326(cid_44182245 | methanoic acid;(2S)-3-methyl-2-[[(2...)
Affinity DataIC50: 7.70E+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