BDBM345200 (S)-2-((S)-3,3-Dimethyl-2-((S)-2- (methylamino)propanamido) butanoyl)-7-(4-((((3S,5S)-1-((S)-3,3- dimethyl-2-((S)-2-(methylamino) propanamido)butanoyl)-5-(((R)- 1,2,3,4-tetrahydronaphthalen-1- yl)carbamoyl)pyrrolidin-3- yl)oxy)methyl)benzamido)-N-((R)-1- (2-fluorophenyl)ethyl)-1,2,3,4- tetrahydroisoquinoline-3-carboxamide::US9783573, Example 50

SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)OCc1ccc(cc1)C(=O)Nc1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@H](C)c1ccccc1F)C(C)(C)C

InChI Key InChIKey=VUUPAYFAZGRMOV-REEQQHIYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 345200   

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

US Patent
LigandPNGBDBM345200((S)-2-((S)-3,3-Dimethyl-2-((S)-2- (methylamino)pro...)
Affinity DataIC50:  610nMAssay 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
LigandPNGBDBM345200((S)-2-((S)-3,3-Dimethyl-2-((S)-2- (methylamino)pro...)
Affinity DataIC50:  53nMAssay 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