BDBM44313 (2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-3-methyl-N-[(2S)-1-oxo-1-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-yl]butanamide;formic acid::(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methyl-N-[(2S)-1-oxo-1-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-yl]butanamide;formic acid::(2S)-2-[[(2S)-2-aminopropanoyl]amino]-N-[(1S)-2-keto-1-methyl-2-(tetralin-2-ylamino)ethyl]-3-methyl-butyramide;formic acid::(2S)-2-[[(2S)-2-azanylpropanoyl]amino]-3-methyl-N-[(2S)-1-oxidanylidene-1-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-yl]butanamide;methanoic acid::MLS-0412128.0001::cid_44182211

SMILES CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](C)C(=O)NC1CCc2ccccc2C1

InChI Key InChIKey=LAADEPLURXEMDZ-KWDCGLPISA-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 = 44313   

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

Curated by PubChem BioAssay
LigandPNGBDBM44313((2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-3-methyl-...)
Affinity DataIC50:  3.30E+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
TargetE3 ubiquitin-protein ligase XIAP(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM44313((2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-3-methyl-...)
Affinity DataIC50:  6.00E+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