BDBM345216 N1-((S)-2-((R)-3-(((5-(tert-Butyl)oxazol-2-yl)methyl)thio)-3- methyl-2-((S)-2-(methylamino)propanamido)butanoyl)-3- (((R)-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl)-1,2,3,4- tetrahydroisoquinolin-7-yl)-N4-((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)terephthalamide::US9783573, Example 68

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)c1ccc(cc1)C(=O)Nc1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)SCc1ncc(o1)C(C)(C)C)C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C

InChI Key InChIKey=TYOLHRDURCGCEM-LOPOYFHOSA-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 = 345216   

LigandPNGBDBM345216(N1-((S)-2-((R)-3-(((5-(tert-Butyl)oxazol-2-yl)meth...)
Affinity DataIC50:  160nMAssay 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
LigandPNGBDBM345216(N1-((S)-2-((R)-3-(((5-(tert-Butyl)oxazol-2-yl)meth...)
Affinity DataIC50:  260nMAssay 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