BDBM26504 N-[(2S,3R)-4-(benzylamino)-3-hydroxy-1-phenylbutan-2-yl]-3-ethyl-9-methyl-10,10-dioxo-10-thia-1,9-diazatricyclo[6.4.1.0^{4,13}]trideca-2,4(13),5,7-tetraene-6-carboxamide::tricyclic hydroxyethylamine (HEA) derivative, 8b

SMILES CCc1cn2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1ccccc1

InChI Key InChIKey=MZFWJFYQYIPXQF-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 26504   

TargetBeta-secretase 1(Human)
Gsk

LigandPNGBDBM26504(N-[(2S,3R)-4-(benzylamino)-3-hydroxy-1-phenylbutan...)
Affinity DataIC50: 34nMpH: 4.5 T: 2°CAssay Description:Enzyme activity and inhibition were assayed using a fluorescent FAM-[SEVNLDAEFK]-TAMRA substrate. Control reactions with no enzyme were included in e...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/24/2009
Entry Details Article
PubMed
TargetBeta-secretase 2(Human)
Gsk

LigandPNGBDBM26504(N-[(2S,3R)-4-(benzylamino)-3-hydroxy-1-phenylbutan...)
Affinity DataIC50: 3.02E+3nMpH: 4.5 T: 2°CAssay Description:Enzyme activity and inhibition were assayed using a fluorescent FAM-[SEVNLDAEFK]-TAMRA substrate. Control reactions with no enzyme were included in e...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/24/2009
Entry Details Article
PubMed
TargetCathepsin D(Human)
Gsk

LigandPNGBDBM26504(N-[(2S,3R)-4-(benzylamino)-3-hydroxy-1-phenylbutan...)
Affinity DataIC50: 1.72E+4nMAssay Description:Enzyme activity and inhibition were assayed using a fluorescent FAM-[SEVNLDAEFK]-TAMRA substrate. Control reactions with no enzyme were included in e...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/24/2009
Entry Details Article
PubMed