BDBM44321 (2S)-N-[(1S)-1-[(2S)-2-[(benzylamino)carbamoyl]pyrrolidine-1-carbonyl]-2-methyl-propyl]-2-(methylamino)propionamide;formic acid::(2S)-N-[(2S)-1-[(2S)-2-[(benzylamino)carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(methylamino)propanamide;formic acid::MLS-0412156.0001::cid_44182229::formic acid;(2S)-2-(methylamino)-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[oxo-[(phenylmethyl)hydrazo]methyl]-1-pyrrolidinyl]butan-2-yl]propanamide::methanoic acid;(2S)-2-(methylamino)-N-[(2S)-3-methyl-1-oxidanylidene-1-[(2S)-2-[[(phenylmethyl)amino]carbamoyl]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)NNCc1ccccc1

InChI Key InChIKey=ORLOEAZICBFXTG-SZMVWBNQSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 44321   

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

Curated by PubChem BioAssay
LigandPNGBDBM44321((2S)-N-[(1S)-1-[(2S)-2-[(benzylamino)carbamoyl]pyr...)
Affinity DataIC50:  2.50E+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
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay
TargetE3 ubiquitin-protein ligase XIAP(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM44321((2S)-N-[(1S)-1-[(2S)-2-[(benzylamino)carbamoyl]pyr...)
Affinity DataIC50:  1.23E+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
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay