BDBM312110 (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)- 1,1-diphenylpropan- 2-yl)-1,2,3,4- tetrahydro- isoquinoline- 3-carboxamide::US9603889, Example 21

SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC(C[C@H]1C(=O)NC1CCCc2ccccc12)NC(=O)c1ccc(CN(C(C)C(c2ccccc2)c2ccccc2)C(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(C)(C)C

InChI Key InChIKey=CYHTUCVQCYTOFX-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 = 312110   

LigandChemical structure of BindingDB Monomer ID 312110BDBM312110(US9603889, Example 21 | (S)-2-((S)-3,3- Dimethyl-2...)
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 312110BDBM312110(US9603889, Example 21 | (S)-2-((S)-3,3- Dimethyl-2...)
Affinity DataIC50: 2.83E+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