BDBM16700 1-[(2S)-2-{[(2S)-2-[(3-{[(1R)-1-(4-fluorophenyl)ethyl]carbamoyl}-5-(N-methylmethanesulfonamido)phenyl)formamido]-3-phenylpropyl]amino}propanoyl]pyrrolidine-2-carboxylic acid::psi[CH2NH] reduced amide isostere, 4j

SMILES C[C@H](NC[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O)C(=O)N1CCCC1C(O)=O

InChI Key InChIKey=ROHLWINGUSSOET-BLXFQCPISA-N

Data  1 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 1 hit for monomerid = 16700   

TargetBeta-secretase 1(Homo sapiens (Human))
Merck Research Laboratories

LigandPNGBDBM16700(1-[(2S)-2-{[(2S)-2-[(3-{[(1R)-1-(4-fluorophenyl)et...)
Affinity DataIC50:  1.72E+4nMpH: 4.5 T: 2°CAssay Description:The assay was performed using a 96-well format on a HPLC equipped with four 96-well plate holders. Test compounds were preincubated with enzymes for ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed