BDBM44276 (2S)-N-[(1S)-1-[(2S)-2-(anilinocarbamoyl)pyrrolidine-1-carbonyl]-2-methyl-propyl]-2-(methylamino)propionamide;formic acid::(2S)-N-[(2S)-1-[(2S)-2-(anilinocarbamoyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(methylamino)propanamide;formic acid::CHEMBL1625066::MLS-0391011.0001::cid_25241673::formic acid;(2S)-2-(methylamino)-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[oxo-(phenylhydrazo)methyl]-1-pyrrolidinyl]butan-2-yl]propanamide::methanoic acid;(2S)-2-(methylamino)-N-[(2S)-3-methyl-1-oxidanylidene-1-[(2S)-2-(phenylazanylcarbamoyl)pyrrolidin-1-yl]butan-2-yl]propanamide

SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NNc1ccccc1

InChI Key InChIKey=OIAFZXFQHCIAJL-XIRDDKMYSA-N

Data  4 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 6 hits for monomerid = 44276   

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

Curated by ChEMBL
LigandPNGBDBM44276((2S)-N-[(1S)-1-[(2S)-2-(anilinocarbamoyl)pyrrolidi...)
Affinity DataKi:  390nMAssay 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
LigandPNGBDBM44276((2S)-N-[(1S)-1-[(2S)-2-(anilinocarbamoyl)pyrrolidi...)
Affinity DataKi:  390nMAssay Description:Competitive inhibition of XIAP-BIR2 domain (unknown origin) by fluorescence 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
LigandPNGBDBM44276((2S)-N-[(1S)-1-[(2S)-2-(anilinocarbamoyl)pyrrolidi...)
Affinity DataKi:  1.08E+3nMAssay Description:Competitive inhibition of XIAP-BIR3 domain (unknown origin) by fluorescence 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
LigandPNGBDBM44276((2S)-N-[(1S)-1-[(2S)-2-(anilinocarbamoyl)pyrrolidi...)
Affinity DataKi:  1.08E+3nMAssay 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
LigandPNGBDBM44276((2S)-N-[(1S)-1-[(2S)-2-(anilinocarbamoyl)pyrrolidi...)
Affinity DataIC50:  2.90E+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
LigandPNGBDBM44276((2S)-N-[(1S)-1-[(2S)-2-(anilinocarbamoyl)pyrrolidi...)
Affinity DataIC50:  1.30E+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