BDBM312126 N1-(((S)-2- ((S)-3,3- Dimethyl-2-((S)- 2-(methylamino) propanamido) butanoyl)-1,2,3,4- tetrahydro- isoquinolin-3-yl) methyl)-N4- ((3S,5S)- 1-((S)-3,3- dimethyl-2-((S)-2- (methylamino) propanamido) butanoyl)-5-(((R)- 1,2,3,4-tetrahydro- naphthalen-1-yl) carbamoyl) pyrrolidin- 3-yl)-N1-((R)-1-(2- fluorophenyl) ethyl) terephthalamide::US9603889, Example 37

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)c1ccccc1F)C(C)(C)C

InChI Key InChIKey=SVZWWJONRRRSQO-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 = 312126   

LigandPNGBDBM312126(US9603889, Example 37 | N1-(((S)-2- ((S)-3,3- Dime...)
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
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LigandPNGBDBM312126(US9603889, Example 37 | N1-(((S)-2- ((S)-3,3- Dime...)
Affinity DataIC50: 650nMAssay 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