BDBM345187 (2S,3R)-N1-((3S,5S)-5-((S)-3,3- dimethyl-2-((S)-2-(methylamino) propanamido)butanoyl)-1-(((R)- 1,2,3,4-tetrahydronaphthalen-1- yl)carbamoyl)pyrrolidin-3-yl)-N4- ((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)-2,3- bis(3,3,3-trifluoropropyl) succinamide::US9783573, Example 37

SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)[C@@H]1CC(CN1C(=O)NC1CCCc2ccccc12)NC(=O)[C@@H](CCC(F)(F)F)[C@@H](CCC(F)(F)F)C(=O)Nc1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC1CCCc2ccccc12)C(C)(C)C

InChI Key InChIKey=QBLMRKIWHODMAB-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 = 345187   

LigandChemical structure of BindingDB Monomer ID 345187BDBM345187((2S,3R)-N1-((3S,5S)-5-((S)-3,3- dimethyl-2-((S)-2-...)
Affinity DataIC50: 110nMAssay 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 345187BDBM345187((2S,3R)-N1-((3S,5S)-5-((S)-3,3- dimethyl-2-((S)-2-...)
Affinity DataIC50: 290nMAssay 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