BDBM312109 (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-phenylpropyl)- 1,2,3,4-tetra- hydroisoquinoline- 3-carboxamide::US9603889, Example 20

SMILES CCC(N(Cc1ccc(cc1)C(=O)NC1C[C@H](N(C1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC1CCCc2ccccc12)C(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)c1ccccc1

InChI Key InChIKey=CWBSLRMZMMYANP-FSSCPAOLSA-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 = 312109   

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

US Patent
LigandPNGBDBM312109((S)-2-((S)-3,3- Dimethyl-2-((S)-2- (methylamino) p...)
Affinity DataIC50:  320nMAssay 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
LigandPNGBDBM312109((S)-2-((S)-3,3- Dimethyl-2-((S)-2- (methylamino) p...)
Affinity DataIC50:  110nMAssay 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