BDBM345186 N1-((S)-2-((S)-3,3-dimethyl-2- ((S)-2-(methylamino) propanamido)butanoyl)-3-(((R)- 1,2,3,4-tetrahydronaphthalen-1- yl)carbamoyl)-1,2,3,4- tetrahydroisoquinolin-7-yl)-N4- ((3S,5S)-1-((S)-3,3-dimethyl-2- ((S)-3-methyl-2-(methylamino) butanamido)butanoyl)-5-(((R)- 1,2,3,4-tetrahydronaphthalen-1- yl)carbamoyl)pyrrolidin-3- yl)terephthalamide::US9783573, Example 36

SMILES CCN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(NC(=O)c3ccc(cc3)C(=O)NC3CC(N(C3)C(=O)[C@@H](NC(=O)[C@@H](NC)C(C)C)C(C)(C)C)C(=O)NC3CCCc4ccccc34)ccc2CC1C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C

InChI Key InChIKey=JWXXLHIYUTWEMB-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 = 345186   

LigandChemical structure of BindingDB Monomer ID 345186BDBM345186(N1-((S)-2-((S)-3,3-dimethyl-2- ((S)-2-(methylamino...)
Affinity DataIC50: 190nMAssay 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

LigandChemical structure of BindingDB Monomer ID 345186BDBM345186(N1-((S)-2-((S)-3,3-dimethyl-2- ((S)-2-(methylamino...)
Affinity DataIC50: 1.90E+3nMAssay 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