BDBM44323 (2S)-N-(diphenylmethyl)-1-[(2S)-2-[[(2S)-2-(methylamino)-1-oxopropyl]amino]-1-oxo-2-phenylethyl]-2-pyrrolidinecarboxamide;formic acid::(2S)-N-(diphenylmethyl)-1-[(2S)-2-[[(2S)-2-(methylamino)propanoyl]amino]-2-phenyl-ethanoyl]pyrrolidine-2-carboxamide;methanoic acid::(2S)-N-benzhydryl-1-[(2S)-2-[[(2S)-2-(methylamino)propanoyl]amino]-2-phenyl-acetyl]pyrrolidine-2-carboxamide;formic acid::(2S)-N-benzhydryl-1-[(2S)-2-[[(2S)-2-(methylamino)propanoyl]amino]-2-phenylacetyl]pyrrolidine-2-carboxamide;formic acid::CHEMBL1616828::MLS-0390869.0002::cid_44182233

SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1)c1ccccc1

InChI Key InChIKey=YKABHUXQCDNVQB-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 = 44323   

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

Curated by PubChem BioAssay
LigandPNGBDBM44323((2S)-N-benzhydryl-1-[(2S)-2-[[(2S)-2-(methylamino)...)
Affinity DataIC50: 1.49E+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
LigandPNGBDBM44323((2S)-N-benzhydryl-1-[(2S)-2-[[(2S)-2-(methylamino)...)
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
TargetE3 ubiquitin-protein ligase XIAP(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM44323((2S)-N-benzhydryl-1-[(2S)-2-[[(2S)-2-(methylamino)...)
Affinity DataKi:  660nMAssay Description:Competitive inhibition of XIAP BIR3 domain by fluorescent polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMed
TargetE3 ubiquitin-protein ligase XIAP(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM44323((2S)-N-benzhydryl-1-[(2S)-2-[[(2S)-2-(methylamino)...)
Affinity DataKi:  8.06E+3nMAssay Description:Competitive inhibition of XIAP BIR2 domain by fluorescent polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMed