BDBM44349 MLS-0412201.0001::cid_44229028::formic acid;(2S)-N-[(1S)-2-hydroxy-1-(1-naphthylcarbamoyl)propyl]-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butyramide::formic acid;(2S)-N-[(2S)-3-hydroxy-1-(1-naphthalenylamino)-1-oxobutan-2-yl]-3-methyl-2-[[(2S)-2-(methylamino)-1-oxopropyl]amino]butanamide::formic acid;(2S)-N-[(2S)-3-hydroxy-1-(naphthalen-1-ylamino)-1-oxobutan-2-yl]-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanamide::methanoic acid;(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]-N-[(2S)-1-(naphthalen-1-ylamino)-3-oxidanyl-1-oxidanylidene-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)Nc1cccc2ccccc12

InChI Key InChIKey=LBSZRYRYTDUODV-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 44349   

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 44349BDBM44349(MLS-0412201.0001 | formic acid;(2S)-N-[(2S)-3-hydr...)
Affinity DataIC50: 9.15E+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