BDBM16082 (2R,4S)-4-[(3S,6S,9R,13Z)-9-(acetylamino)-6-methyl-5,8-dioxo-1-oxa-11-thia-4,7-diazacyclopentadec-13-en-3-yl]-N-butyl-4-hydroxy-2-methylbutanamide::(2R,4S)-N-butyl-4-[(3S,6S,9R,13Z)-9-acetamido-6-methyl-5,8-dioxo-1-oxa-11-thia-4,7-diazacyclopentadec-13-en-3-yl]-4-hydroxy-2-methylbutanamide::Olefins were mixtures of cis and trans isomers.::oxygen-linked macrocycle compound 18

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

InChI Key InChIKey=WNCWRKVDDYUUDN-DHMZKZOISA-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 = 16082   

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

LigandPNGBDBM16082((2R,4S)-4-[(3S,6S,9R,13Z)-9-(acetylamino)-6-methyl...)
Affinity DataIC50:  6.00E+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

LigandPNGBDBM16082((2R,4S)-4-[(3S,6S,9R,13Z)-9-(acetylamino)-6-methyl...)
Affinity DataIC50:  1.12E+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