BDBM44294 MLS-0391053.0001::cid_44182158::formic acid;(3S)-3-[[(2S)-2-(methylamino)-1-oxopropyl]amino]-4-oxo-4-[(2S)-2-[oxo-(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]-1-pyrrolidinyl]butanoic acid methyl ester::formic acid;(3S)-4-keto-3-[[(2S)-2-(methylamino)propanoyl]amino]-4-[(2S)-2-(tetralin-1-ylcarbamoyl)pyrrolidino]butyric acid methyl ester::formic acid;methyl (3S)-3-[[(2S)-2-(methylamino)propanoyl]amino]-4-oxo-4-[(2S)-2-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)pyrrolidin-1-yl]butanoate::methanoic acid;methyl (3S)-3-[[(2S)-2-(methylamino)propanoyl]amino]-4-oxidanylidene-4-[(2S)-2-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)pyrrolidin-1-yl]butanoate

SMILES CN[C@@H](C)C(=O)N[C@@H](CC(=O)OC)C(=O)N1CCC[C@H]1C(=O)NC1CCCc2ccccc12

InChI Key InChIKey=CUIUOWXBMOEDGZ-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 = 44294   

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

Curated by PubChem BioAssay
LigandPNGBDBM44294(MLS-0391053.0001 | formic acid;methyl (3S)-3-[[(2S...)
Affinity DataIC50: 1.45E+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
TargetE3 ubiquitin-protein ligase XIAP(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM44294(MLS-0391053.0001 | formic acid;methyl (3S)-3-[[(2S...)
Affinity DataIC50: 1.80E+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