BDBM44282 (2S)-1-[(2R)-2-[[(2S)-2-amino-1-oxopropyl]amino]-2-cyclohexyl-1-oxoethyl]-N-(diphenylmethyl)-2-pyrrolidinecarboxamide;2,2,2-trifluoroacetic acid::(2S)-1-[(2R)-2-[[(2S)-2-aminopropanoyl]amino]-2-cyclohexyl-acetyl]-N-benzhydryl-pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid::(2S)-1-[(2R)-2-[[(2S)-2-aminopropanoyl]amino]-2-cyclohexylacetyl]-N-benzhydrylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid::(2S)-1-[(2R)-2-[[(2S)-2-azanylpropanoyl]amino]-2-cyclohexyl-ethanoyl]-N-(diphenylmethyl)pyrrolidine-2-carboxamide;2,2,2-tris(fluoranyl)ethanoic acid::MLS-0390981.0001::cid_25241688

SMILES C[C@H](N)C(=O)N[C@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1

InChI Key InChIKey=JUGSLNBWSPRSNU-UHFFFAOYSA-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 = 44282   

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

Curated by PubChem BioAssay
LigandPNGBDBM44282(cid_25241688 | (2S)-1-[(2R)-2-[[(2S)-2-aminopropan...)
Affinity DataIC50: 5.70E+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
LigandPNGBDBM44282(cid_25241688 | (2S)-1-[(2R)-2-[[(2S)-2-aminopropan...)
Affinity DataIC50: 1.90E+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