BDBM44330 MLS-0412179.0001::cid_44182253::formic acid;(2S)-N-[(1S)-2-keto-1-methylol-2-(tetralin-1-ylamino)ethyl]-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butyramide::formic acid;(2S)-N-[(2S)-3-hydroxy-1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl]-3-methyl-2-[[(2S)-2-(methylamino)-1-oxopropyl]amino]butanamide::formic acid;(2S)-N-[(2S)-3-hydroxy-1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl]-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanamide::methanoic acid;(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]-N-[(2S)-3-oxidanyl-1-oxidanylidene-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl]butanamide

SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)NC1CCCc2ccccc12

InChI Key InChIKey=XIIRQXDXNSJBAV-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 = 44330   

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

Curated by PubChem BioAssay
LigandPNGBDBM44330(formic acid;(2S)-N-[(2S)-3-hydroxy-1-oxo-1-(1,2,3,...)
Affinity DataIC50: 8.70E+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
LigandPNGBDBM44330(formic acid;(2S)-N-[(2S)-3-hydroxy-1-oxo-1-(1,2,3,...)
Affinity DataIC50: 5.40E+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