BDBM312124 N1-(((S)-2-((S)- 3,3-Dimethyl- 2-((S)-2- (methylamino) propanamido) butanoyl)- 1,2,3,4-tetra- hydroisoquinolin- 3-yl)methyl)- N4-((S)-2-((S)- 3,3-dimethyl- 2-((S)-2- (methylamino) propanamido) butanoyl)- 3-(((R)-1,2,3,4- tetrahydro- naphthalen-1- yl)carbamoyl)- 1,2,3,4-tetra- hydroisoquinolin- 7-yl)-N1-(2,3- dimethylbenzyl) terephthalamide::US9603889, Example 35

SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2ccccc2C[C@H]1CN(Cc1cccc(C)c1C)C(=O)c1ccc(cc1)C(=O)Cc1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C

InChI Key InChIKey=DPTZSNVXBNIDSZ-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 312124   

LigandPNGBDBM312124(US9603889, Example 35 | N1-(((S)-2-((S)- 3,3-Dimet...)
Affinity DataIC50: 230nMAssay 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

LigandPNGBDBM312124(US9603889, Example 35 | N1-(((S)-2-((S)- 3,3-Dimet...)
Affinity DataIC50: 1.81E+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