BDBM312106 N1-(((S)-2-((S)- 3,3-dimethyl- 2-((S)-2- (methylamino) propanamido) butanoyl)- 1,2,3,4-tetra- hydroisoquinolin- 3-yl)methyl)- N4-((3S,5S)-1- ((S)-3,3-dimethyl- 2-((S)-2-(methyl- amino) propanamido) butanoyl)- 5-(((R)-1,2,3,4- tetrahydro- naphthalen- 1-yl)carbamoyl) pyrrolidin-3-yl)-N1- ((R)-1-(2- fluorophenyl) propan-2-yl) terephthalamide::US9603889, Example 17

SMILES CN[C@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(cc1)C(=O)N(C[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)[C@H](C)Cc1ccccc1F)C(C)(C)C

InChI Key InChIKey=QCAMDWZORZRYMM-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 = 312106   

LigandPNGBDBM312106(US9603889, Example 17 | N1-(((S)-2-((S)- 3,3-dimet...)
Affinity DataIC50: 100nMAssay 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
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LigandPNGBDBM312106(US9603889, Example 17 | N1-(((S)-2-((S)- 3,3-dimet...)
Affinity DataIC50: 590nMAssay 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
Go to US Patent