BDBM44301 (2S)-N-[(1S)-1-(anilinocarbamoyl)-4-guanidino-butyl]-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butyramide;formic acid::(2S)-N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(2-phenylhydrazinyl)pentan-2-yl]-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanamide;formic acid::(2S)-N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(phenylhydrazo)pentan-2-yl]-3-methyl-2-[[(2S)-2-(methylamino)-1-oxopropyl]amino]butanamide;formic acid::(2S)-N-[(2S)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-1-(2-phenylhydrazinyl)pentan-2-yl]-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanamide;methanoic acid::MLS-0412063.0001::cid_44182175

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

InChI Key InChIKey=NJUZJYVAKLYGQG-UHFFFAOYSA-N

Data  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 2 hits for monomerid = 44301   

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 44301BDBM44301((2S)-N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(...)
Affinity DataIC50: 7.10E+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 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
LigandChemical structure of BindingDB Monomer ID 44301BDBM44301((2S)-N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(...)
Affinity DataIC50: 5.42E+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