BDBM345158 (S)-2-((S)-3,3-Dimethyl-2-((S)-2- (methylamino)propanamido)butanoyl)-7-(3-(4-(((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)phenyl)propanamido)-N-((R)-1,2,3,4- tetrahydronaphthalen-1-yl)-1,2,3,4- tetrahydroisoquinoline-3-carboxamide::US9783573, Example 8

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(CCC(=O)Nc2ccc3C[C@H](N(Cc3c2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]2CCCc3ccccc23)cc1)C(C)(C)C

InChI Key InChIKey=KDEVTDVUTDFKMU-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 = 345158   

LigandPNGBDBM345158((S)-2-((S)-3,3-Dimethyl-2-((S)-2- (methylamino)pro...)
Affinity DataIC50: 57nMAssay 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
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LigandPNGBDBM345158((S)-2-((S)-3,3-Dimethyl-2-((S)-2- (methylamino)pro...)
Affinity DataIC50: 99nMAssay 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
Go to US Patent