BDBM312987 US9605022, Example 16

SMILES COC(=O)[C@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2[C@@H](CCN2C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)C(C)(C)C)n2cc(COc3ccc(C[C@H](NC(=O)[C@H](Cc4ccc5ccccc5c4)NC(=O)[C@@H]4[C@@H](CCN4C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)C(C)(C)C)n4cc(COc5ccc1cc5)nn4)C#N)cc3)nn2

InChI Key InChIKey=AQTZITKPGZRNPV-GBSPMIQWSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 312987   

TargetBaculoviral IAP repeat-containing protein 2/E3 ubiquitin-protein ligase XIAP(Homo sapiens (Human))
Ensemble Therapeutics

US Patent
LigandPNGBDBM312987(US9605022, Example 16)
Affinity DataIC50:  2.20nMAssay 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))
Ensemble Therapeutics

US Patent
LigandPNGBDBM312987(US9605022, Example 16)
Affinity DataIC50:  4.40nMAssay 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