BDBM44296 (2S)-1-[(2S)-5-amino-2-[[(2S)-2-(methylamino)-1-oxopropyl]amino]-1,5-dioxopentyl]-N-(diphenylmethyl)-2-pyrrolidinecarboxamide;formic acid::(2S)-1-[(2S)-5-amino-2-[[(2S)-2-(methylamino)propanoyl]amino]-5-oxopentanoyl]-N-benzhydrylpyrrolidine-2-carboxamide;formic acid::(2S)-1-[(2S)-5-amino-5-keto-2-[[(2S)-2-(methylamino)propanoyl]amino]pentanoyl]-N-benzhydryl-pyrrolidine-2-carboxamide;formic acid::(2S)-1-[(2S)-5-azanyl-2-[[(2S)-2-(methylamino)propanoyl]amino]-5-oxidanylidene-pentanoyl]-N-(diphenylmethyl)pyrrolidine-2-carboxamide;methanoic acid::CHEMBL1617727::MLS-0391059.0001::cid_44182163

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

InChI Key InChIKey=AFJAUVAOYWNIAX-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 = 44296   

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

Curated by PubChem BioAssay
LigandPNGBDBM44296(MLS-0391059.0001 | (2S)-1-[(2S)-5-azanyl-2-[[(2S)-...)
Affinity DataIC50: 4.80E+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
LigandPNGBDBM44296(MLS-0391059.0001 | (2S)-1-[(2S)-5-azanyl-2-[[(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
TargetE3 ubiquitin-protein ligase XIAP(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM44296(MLS-0391059.0001 | (2S)-1-[(2S)-5-azanyl-2-[[(2S)-...)
Affinity DataKi:  650nMAssay 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
LigandPNGBDBM44296(MLS-0391059.0001 | (2S)-1-[(2S)-5-azanyl-2-[[(2S)-...)
Affinity DataKi:  2.33E+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