BDBM44260 (2S)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)-1-oxopropyl]amino]-1-oxobutyl]-N-(phenylmethyl)-2-pyrrolidinecarboxamide;2,2,2-trifluoroacetic acid::(2S)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-N-(phenylmethyl)pyrrolidine-2-carboxamide;2,2,2-tris(fluoranyl)ethanoic acid::(2S)-N-benzyl-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid::CHEMBL1621745::MLS-0390971.0001::cid_25199557

SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NCc1ccccc1

InChI Key InChIKey=MYDWYIXNAVEODC-SZMVWBNQSA-N

Data  2 KI  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 44260   

TargetE3 ubiquitin-protein ligase XIAP(Homo sapiens (Human))
Sanford-Burnham Medical Research Institute

Curated by ChEMBL
LigandPNGBDBM44260((2S)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)-1-o...)
Affinity DataKi:  590nMAssay Description:Competitive inhibition of XIAP BIR3 domain by fluorescent polarization assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetE3 ubiquitin-protein ligase XIAP(Homo sapiens (Human))
Sanford-Burnham Medical Research Institute

Curated by ChEMBL
LigandPNGBDBM44260((2S)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)-1-o...)
Affinity DataKi:  3.36E+3nMAssay Description:Competitive inhibition of XIAP BIR2 domain by fluorescent polarization assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetE3 ubiquitin-protein ligase XIAP(Homo sapiens (Human))
Sanford-Burnham Medical Research Institute

Curated by ChEMBL
LigandPNGBDBM44260((2S)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)-1-o...)
Affinity DataIC50:  6.60E+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 DepthDetails PCBioAssay
TargetE3 ubiquitin-protein ligase XIAP(Homo sapiens (Human))
Sanford-Burnham Medical Research Institute

Curated by ChEMBL
LigandPNGBDBM44260((2S)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)-1-o...)
Affinity DataIC50:  1.70E+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 DepthDetails PCBioAssay