BDBM44258 (2S)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)-1-oxopropyl]amino]-1-oxobutyl]-N-(2-pyridinylmethyl)-2-pyrrolidinecarboxamide;2,2,2-trifluoroacetic acid::(2S)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-N-(2-pyridylmethyl)pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid::(2S)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid::(2S)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;2,2,2-tris(fluoranyl)ethanoic acid::CHEMBL1620854::MLS-0390968.0001::cid_25199551

SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NCc1ccccn1

InChI Key InChIKey=UMKKZVBSRXLEFJ-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 = 44258   

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

Curated by PubChem BioAssay
LigandPNGBDBM44258((2S)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)prop...)
Affinity DataIC50: 1.79E+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
LigandPNGBDBM44258((2S)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)prop...)
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
LigandPNGBDBM44258((2S)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)prop...)
Affinity DataKi:  5.62E+3nMAssay 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
LigandPNGBDBM44258((2S)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)prop...)
Affinity DataKi:  9.70E+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