BDBM312108 (S)-2-((S)-3,3- Dimethyl- 2-((S)-2- (methylamino) propanamido) butanoyl)-N- (4-(((3S,5S)- 1-((S)-3,3-dimethyl- 2-((S)-2- (methylamino) propanamido) butanoyl)-5-(((R)- 1,2,3,4-tetra- hydronaphthalen- 1-yl)carbamoyl) pyrrolidin-3-yl) carbamoyl)benzyl)- N-((R)-1-(2- fluorophenyl) ethyl)-1,2,3,4- tetrahydro- isoquinoline- 1-carboxamide::US9603889, Example 19

SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC(C[C@H]1C(=O)NC1CCCc2ccccc12)NC(=O)c1ccc(CN([C@H](C)c2ccccc2F)C(=O)[C@H]2N(CCc3ccccc23)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(C)(C)C

InChI Key InChIKey=OJMRKFRVXDLLRT-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 = 312108   

LigandChemical structure of BindingDB Monomer ID 312108BDBM312108(US9603889, Example 19 | (S)-2-((S)-3,3- Dimethyl- ...)
Affinity DataIC50: 290nMAssay 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:
4/23/2019
Entry Details
US Patent

LigandChemical structure of BindingDB Monomer ID 312108BDBM312108(US9603889, Example 19 | (S)-2-((S)-3,3- Dimethyl- ...)
Affinity DataIC50: 1.87E+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:
4/23/2019
Entry Details
US Patent