BDBM44353 (2S)-N-[(1S)-5-amino-1-(anilinocarbamoyl)pentyl]-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butyramide;formic acid::(2S)-N-[(2S)-6-amino-1-oxo-1-(2-phenylhydrazinyl)hexan-2-yl]-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanamide;formic acid::(2S)-N-[(2S)-6-amino-1-oxo-1-(phenylhydrazo)hexan-2-yl]-3-methyl-2-[[(2S)-2-(methylamino)-1-oxopropyl]amino]butanamide;formic acid::(2S)-N-[(2S)-6-azanyl-1-oxidanylidene-1-(2-phenylhydrazinyl)hexan-2-yl]-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanamide;methanoic acid::CHEMBL1622095::MLS-0425209.0001::cid_44229036

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

InChI Key InChIKey=TWGBNWCYWVHHSH-SZMVWBNQSA-N

Data  2 KI  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 44353   

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

Curated by ChEMBL
LigandPNGBDBM44353((2S)-N-[(1S)-5-amino-1-(anilinocarbamoyl)pentyl]-3...)
Affinity DataKi:  1.88E+3nMAssay 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
LigandPNGBDBM44353((2S)-N-[(1S)-5-amino-1-(anilinocarbamoyl)pentyl]-3...)
Affinity DataKi:  2.15E+4nMAssay 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
LigandPNGBDBM44353((2S)-N-[(1S)-5-amino-1-(anilinocarbamoyl)pentyl]-3...)
Affinity DataIC50:  4.00E+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
LigandPNGBDBM44353((2S)-N-[(1S)-5-amino-1-(anilinocarbamoyl)pentyl]-3...)
Affinity DataIC50:  5.50E+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 DepthDetails PCBioAssay