BDBM16058 (2S)-N-[(1S)-1-{[(1S,2S)-1-[(3S,4S)-4-{[(1S)-1-(butylcarbamoyl)-2-methylpropyl]carbamoyl}-1-methylpyrrolidin-3-yl]-1-hydroxy-4-methylpentan-2-yl]carbamoyl}-3-(methylsulfanyl)propyl]-2-acetamido-4-methylpentanamide::N-acetyl-L-leucyl-N-{(1S)-1-[(S)-[(3S,4S)-4-{[(1S)-1-(butylcarbamoyl)-2-methylpropyl]carbamoyl}-1-methylpyrrolidin-3-yl](hydroxy)methyl]-3-methylbutyl}-L-methioninamide::Val-NHBu deriv. 53

SMILES [H][C@]1(CN(C)C[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NCCCC)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(C)=O

InChI Key InChIKey=HLOFNAVESBZXMZ-WKXXOEGVSA-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 = 16058   

TargetCathepsin D(Homo sapiens (Human))
Universite De Montreal At Succursale Centre-Ville

LigandPNGBDBM16058((2S)-N-[(1S)-1-{[(1S,2S)-1-[(3S,4S)-4-{[(1S)-1-(bu...)
Affinity DataIC50:  1.23E+3nMT: 2°CAssay Description:Inhibition assays were done in black 96-well plates by adding test compounds to the respective enzyme in assay buffer. Plates were incubated at room ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1 [1-453](Homo sapiens (Human))
Universite De Montreal At Succursale Centre-Ville

LigandPNGBDBM16058((2S)-N-[(1S)-1-{[(1S,2S)-1-[(3S,4S)-4-{[(1S)-1-(bu...)
Affinity DataIC50:  3.44E+3nMpH: 4.5 T: 2°CAssay Description:Inhibition assays were done in black 96-well plates by adding test compounds to the respective enzyme in assay buffer. Plates were incubated at room ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed