BDBM44306 (2S)-N-[(1S)-2-[(4-bromo-1-naphthyl)amino]-2-keto-1-methyl-ethyl]-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butyramide;formic acid::(2S)-N-[(2S)-1-[(4-bromanylnaphthalen-1-yl)amino]-1-oxidanylidene-propan-2-yl]-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanamide;methanoic acid::(2S)-N-[(2S)-1-[(4-bromo-1-naphthalenyl)amino]-1-oxopropan-2-yl]-3-methyl-2-[[(2S)-2-(methylamino)-1-oxopropyl]amino]butanamide;formic acid::(2S)-N-[(2S)-1-[(4-bromonaphthalen-1-yl)amino]-1-oxopropan-2-yl]-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanamide;formic acid::MLS-0412069.0001::cid_44182185

SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)Nc1ccc(Br)c2ccccc12

InChI Key InChIKey=DKWZTVLJNRGHKI-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 44306   

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 44306BDBM44306(cid_44182185 | (2S)-N-[(2S)-1-[(4-bromo-1-naphthal...)
Affinity DataIC50: 1.17E+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