BDBM16091 (2R,4S)-4-[(4aR,12R,15S,17aS)-15-methyl-14,17-dioxo-1H,2H,3H,4H,4aH,5H,6H,9H,11H,12H,13H,14H,15H,16H,17H,17aH-pyrido[2,3-i][,,]cyclopentadecan-12-yl]-N-butyl-4-hydroxy-2-methylbutanamide::(2R,4S)-N-butyl-4-hydroxy-2-methyl-4-[(4aR,7E,12R,15S,17aS)-15-methyl-14,17-dioxo-1,2,3,4,4a,5,6,9,11,12,13,14,15,16,17,17a-hexadecahydropyrido[2,3-i][1,4,7]thiadiazacyclopentadecin-12-yl]butanamide::bicyclic macrocycle compound 82

SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1CSC\C=C\CC[C@@H]2CCCN[C@@H]2C(=O)N[C@@H](C)C(=O)N1

InChI Key InChIKey=BUMFQYLWEXXRJQ-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 = 16091   

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

LigandPNGBDBM16091((2R,4S)-4-[(4aR,12R,15S,17aS)-15-methyl-14,17-diox...)
Affinity DataIC50: 1.00E+4nMT: 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

LigandPNGBDBM16091((2R,4S)-4-[(4aR,12R,15S,17aS)-15-methyl-14,17-diox...)
Affinity DataIC50: 1.00E+4nMT: 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