BDBM16067 dithia macrocycle compound 26::tert-butyl N-[(5R,8S,11R)-5-[(1S,3R)-3-(butylcarbamoyl)-1-hydroxy-3-methylpropyl]-8-methyl-7,10-dioxo-3,13-dithia-6,9-diazabicyclo[13.2.2]nonadeca-1(17),15,18-trien-11-yl]carbamate::tert-butyl [(5R,8S,11R)-5-[(1S,3R)-4-(butylamino)-1-hydroxy-3-methyl-4-oxobutyl]-8-methyl-7,10-dioxo-3,13-dithia-6,9-diazabicyclo[13.2.2]nonadeca-1(17),15,18-trien-11-yl]carbamate

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

InChI Key InChIKey=MTACWIVLLGYNCN-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 = 16067   

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

LigandPNGBDBM16067(tert-butyl [(5R,8S,11R)-5-[(1S,3R)-4-(butylamino)-...)
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 Depth
Date in BDB:
5/28/2007
Entry Details Article
PubMed
TargetCathepsin D(Human)
Universite De Montreal At Succursale Centre-Ville

LigandPNGBDBM16067(tert-butyl [(5R,8S,11R)-5-[(1S,3R)-4-(butylamino)-...)
Affinity DataIC50: 195nMT: 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