BDBM312113 (S)-2-((S)-3,3- Dimethyl-2-((S)-2- (methylamino) propanamido) butanoyl)-N-(4- (((3S,5S)-1-((S)-3,3- dimethyl-2-((S)-2- (methylamino) propanamido) butanoyl)- 5-(((R)-1,2,3,4- tetrahydro- naphthalen- 1-yl)carbamoyl) pyrrolidin-3-yl) carbamoyl)benzyl)- N-((R)-1-(2- methoxyphenyl) ethyl)-1,2,3,4- tetrahydro- isoquinoline- 3-carboxamide::US9603889, Example 24

SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC(C[C@H]1C(=O)NC1CCCc2ccccc12)NC(=O)c1ccc(CN(C(C)c2ccccc2OC)C(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(C)(C)C

InChI Key InChIKey=NNUBYITXSVFHFX-VWJDLKNGSA-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 = 312113   

TargetBaculoviral IAP repeat-containing protein 2/E3 ubiquitin-protein ligase XIAP(Homo sapiens (Human))
Bristol-Myers Squibb

US Patent
LigandPNGBDBM312113((S)-2-((S)-3,3- Dimethyl-2-((S)-2- (methylamino) p...)
Affinity DataIC50:  60nMAssay Description:Assays were performed in white, flat-bottom, 384-well ProxiPlates (Perkin Elmer). The final assay volume was 10 μL prepared from additions of Hi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetBaculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP(Homo sapiens (Human))
Bristol-Myers Squibb

US Patent
LigandPNGBDBM312113((S)-2-((S)-3,3- Dimethyl-2-((S)-2- (methylamino) p...)
Affinity DataIC50:  130nMAssay Description:Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of N-His-Tb-BIR3(241-356,...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent