BDBM345175 (S)-2-((S)-3,3-Dimethyl-2-((S)-2-(methylamino) propanamido)butanoyl)-N7-((5-(((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)pyridin-2- yl)methyl)-N3-((R)-1,2,3,4-tetrahydronaphthalen-1-yl)- 1,2,3,4-tetrahydroisoquinoline-3,7-dicarboxamide::US9783573, Example 25

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(CNC(=O)c2ccc3C[C@H](N(Cc3c2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]2CCCc3ccccc23)nc1)C(C)(C)C

InChI Key InChIKey=XZJCEISXWHYZEG-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 = 345175   

LigandPNGBDBM345175((S)-2-((S)-3,3-Dimethyl-2-((S)-2-(methylamino) pro...)
Affinity DataIC50: 16nMAssay 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
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Date in BDB:
8/19/2019
Entry Details
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LigandPNGBDBM345175((S)-2-((S)-3,3-Dimethyl-2-((S)-2-(methylamino) pro...)
Affinity DataIC50: 4nMAssay 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
In Depth
Date in BDB:
8/19/2019
Entry Details
Go to US Patent