BDBM44285 (2S)-N-[(1S)-1-(anilinocarbamoyl)-2-methyl-propyl]-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butyramide;formic acid::CHEMBL1625435::MLS-0391058.0001::cid_44176338::formic acid;(2S)-3-methyl-2-[[(2S)-2-(methylamino)-1-oxopropyl]amino]-N-[(2S)-3-methyl-1-oxo-1-(phenylhydrazo)butan-2-yl]butanamide::formic acid;(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]-N-[(2S)-3-methyl-1-oxo-1-(2-phenylhydrazinyl)butan-2-yl]butanamide::methanoic acid;(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]-N-[(2S)-3-methyl-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)C)C(=O)NNc1ccccc1

InChI Key InChIKey=PAJCSBSOJGDEBQ-UHFFFAOYSA-N

Data  2 KI  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 4 hits for monomerid = 44285   

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

Curated by PubChem BioAssay
LigandPNGBDBM44285(formic acid;(2S)-3-methyl-2-[[(2S)-2-(methylamino)...)
Affinity DataIC50: 6.00E+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
LigandPNGBDBM44285(formic acid;(2S)-3-methyl-2-[[(2S)-2-(methylamino)...)
Affinity DataIC50: 1.68E+5nMAssay 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
LigandPNGBDBM44285(formic acid;(2S)-3-methyl-2-[[(2S)-2-(methylamino)...)
Affinity DataKi:  3.04E+3nMAssay Description:Competitive inhibition of XIAP-BIR2 domain (unknown origin) by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetE3 ubiquitin-protein ligase XIAP(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM44285(formic acid;(2S)-3-methyl-2-[[(2S)-2-(methylamino)...)
Affinity DataKi:  6.56E+4nMAssay Description:Competitive inhibition of XIAP-BIR3 domain (unknown origin) by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed