BDBM16072 (2R,4S)-4-[(3R,6S,9R)-9-(acetylamino)-6-methyl-5,8-dioxo-1,11-dithia-4,7-diazacycloheptadecan-3-yl]-N-butyl-4-hydroxy-2-methylbutanamide::(2R,4S)-N-butyl-4-[(3R,6S,9R)-9-acetamido-6-methyl-5,8-dioxo-1,11-dithia-4,7-diazacycloheptadecan-3-yl]-4-hydroxy-2-methylbutanamide::dithia macrocycle compound 31

SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1CSCCCCCCSC[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N1

InChI Key InChIKey=WXFJCFOXVBDBRG-NQOGSSOHSA-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 = 16072   

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

LigandPNGBDBM16072((2R,4S)-4-[(3R,6S,9R)-9-(acetylamino)-6-methyl-5,8...)
Affinity DataIC50:  1.25E+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

LigandPNGBDBM16072((2R,4S)-4-[(3R,6S,9R)-9-(acetylamino)-6-methyl-5,8...)
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