BDBM16075 (2R,4S)-N-butyl-4-hydroxy-2-methyl-4-[(3R,6S,13E)-6-methyl-5,8-dioxo-1,11-dithia-4,7-diazacyclopentadec-13-en-3-yl]butanamide::dithia macrocycle compound 35

SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1CSC\C=C\CSCCC(=O)N[C@@H](C)C(=O)N1

InChI Key InChIKey=SZQXWWGPBYKSPP-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 = 16075   

TargetBeta-secretase 1 [1-453](Human)
Universite De Montreal At Succursale Centre-Ville

LigandPNGBDBM16075((2R,4S)-N-butyl-4-hydroxy-2-methyl-4-[(3R,6S,13E)-...)
Affinity DataIC50: 1.00E+4nMpH: 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 Depth
Date in BDB:
5/28/2007
Entry Details Article
PubMed
TargetCathepsin D(Human)
Universite De Montreal At Succursale Centre-Ville

LigandPNGBDBM16075((2R,4S)-N-butyl-4-hydroxy-2-methyl-4-[(3R,6S,13E)-...)
Affinity DataIC50: 3.90E+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 Depth
Date in BDB:
5/28/2007
Entry Details Article
PubMed