BDBM345159 (S)-2-((S)-3,3-Dimethyl-2-((S)-2- (methylamino)propanamido)butanoyl)-7-(4-(3-(((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)amino)-3-oxopropyl)benzamido)-N-((R)-1,2,3,4- tetrahydronaphthalen-1-yl)-1,2,3,4- tetrahydroisoquinoline-3-carboxamide::US9783573, Example 9

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)CCc1ccc(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]1CCCc2ccccc12)C(C)(C)C

InChI Key InChIKey=HBAIJECFJKLGEI-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 345159   

LigandPNGBDBM345159((S)-2-((S)-3,3-Dimethyl-2-((S)-2- (methylamino)pro...)
Affinity DataIC50: 65nMAssay 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
In Depth
Date in BDB:
8/19/2019
Entry Details
US Patent

LigandPNGBDBM345159((S)-2-((S)-3,3-Dimethyl-2-((S)-2- (methylamino)pro...)
Affinity DataIC50: 260nMAssay 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
In Depth
Date in BDB:
8/19/2019
Entry Details
US Patent