BDBM345171 (S)-2-((S)-3,3-Dimethyl-2-((S)-2-(methylamino) propanamido)butanoyl)-N7-(5-(((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)carbamoyl)thiazol-2-yl)- N3-((R)-1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,3,4- tetrahydroisoquinoline-3,7-dicarboxamide::US9783573, Example 21

SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1cnc(NC(=O)c2ccc3C[C@H](N(Cc3c2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]2CCCc3ccccc23)s1)C(C)(C)C

InChI Key InChIKey=RJXWMKIKKCMBFT-QLYDQGARSA-N

Data  2 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 345171   

LigandPNGBDBM345171((S)-2-((S)-3,3-Dimethyl-2-((S)-2-(methylamino) pro...)
Affinity DataIC50:  6nMAssay Description:Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR2-3 (125-356, C...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
LigandPNGBDBM345171((S)-2-((S)-3,3-Dimethyl-2-((S)-2-(methylamino) pro...)
Affinity DataIC50:  17nMAssay Description:Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR3 (241-356, XIA...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent