BDBM312105 (S)-2-((S)-3,3- Dimethyl- 2-((S)-2-(methyl- amino) propanamido) butanoyl)-N-(4- ((3S,5S)-1-((S)-3,3- dimethyl-2-((S)-2- (methylamino) propanamido) butanoyl)-5-(((R)- 1,2,3,4-tetra- hydronaphthalen-1- yl)carbamoyl) pyrrolidin-3-yl) carbamoyl)benzyl)- N-phenethyl- 1,2,3,4-tetrahydro- isoquinoline- 1-carboxamide::US9603889, Example 16

SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC(C[C@H]1C(=O)NC1CCCc2ccccc12)NC(=O)c1ccc(CN(CCc2ccccc2)C(=O)[C@H]2N(CCc3ccccc23)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(C)(C)C

InChI Key InChIKey=VPPOJCROUNMKKO-QOULSCCGSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 312105   

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

US Patent
LigandPNGBDBM312105((S)-2-((S)-3,3- Dimethyl- 2-((S)-2-(methyl- amino)...)
Affinity DataIC50:  1.60E+3nMAssay 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
LigandPNGBDBM312105((S)-2-((S)-3,3- Dimethyl- 2-((S)-2-(methyl- amino)...)
Affinity DataIC50:  70nMAssay 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