BDBM16084 AXQ093::tert-butyl N-[(3R,6S,9R,13E)-3-[(1S,3R)-3-{[(1S)-1-(butylcarbamoyl)-2-methylpropyl]carbamoyl}-1-hydroxy-3-methylpropyl]-6-methyl-5,8-dioxo-1,11-dithia-4,7-diazacyclopentadec-13-en-9-yl]carbamate::tert-butyl {(3R,6S,9R,13E)-3-[(1S,3R)-4-{[(1S)-1-(butylcarbamoyl)-2-methylpropyl]amino}-1-hydroxy-3-methyl-4-oxobutyl]-6-methyl-5,8-dioxo-1,11-dithia-4,7-diazacyclopentadec-13-en-9-yl}carbamate::trans-dithia macrocycle compound 42

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

InChI Key InChIKey=YFVXRNZNJJXEKV-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 = 16084   

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

LigandPNGBDBM16084(tert-butyl N-[(3R,6S,9R,13E)-3-[(1S,3R)-3-{[(1S)-1...)
Affinity DataIC50: 156nMT: 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
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TargetCathepsin D(Human)
Universite De Montreal At Succursale Centre-Ville

LigandPNGBDBM16084(tert-butyl N-[(3R,6S,9R,13E)-3-[(1S,3R)-3-{[(1S)-1...)
Affinity DataIC50: 11nMT: 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 Article
PubMed