BDBM16073 (2R,4S)-4-[(5R,8S,11R)-11-(acetylamino)-8-methyl-7,10-dioxo-3,13-dithia-6,9-diazabicyclo[13.2.2]nonadeca-1(17),15,18-trien-5-yl]-N-butyl-4-hydroxy-2-methylbutanamide::(2R,4S)-N-butyl-4-[(5R,8S,11R)-11-acetamido-8-methyl-7,10-dioxo-3,13-dithia-6,9-diazabicyclo[13.2.2]nonadeca-1(17),15,18-trien-5-yl]-4-hydroxy-2-methylbutanamide::dithia macrocycle compound 32

SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1CSCc2ccc(CSC[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N1)cc2

InChI Key InChIKey=HMRRLDIAPZTWOI-IEWPRLFMSA-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 = 16073   

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

LigandPNGBDBM16073((2R,4S)-4-[(5R,8S,11R)-11-(acetylamino)-8-methyl-7...)
Affinity DataIC50:  3.60E+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

LigandPNGBDBM16073((2R,4S)-4-[(5R,8S,11R)-11-(acetylamino)-8-methyl-7...)
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 DepthDetails ArticlePubMed