BDBM26785 3-(1,1-dioxo-1,2-thiazinan-2-yl)-5-(ethylamino)-N-[(2R,3S)-2-hydroxy-1-{[(3-methoxyphenyl)methyl]amino}-5-methylhexan-3-yl]benzamide::hydroxy ethylamine (HEA), 20

SMILES CCNc1cc(cc(c1)C(=O)N[C@@H](CC(C)C)[C@H](O)CNCc1cccc(OC)c1)N1CCCCS1(=O)=O

InChI Key InChIKey=AFXWQUICQRHFQB-RRPNLBNLSA-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 = 26785   

TargetBeta-secretase 1(Homo sapiens (Human))
Gsk

LigandPNGBDBM26785(3-(1,1-dioxo-1,2-thiazinan-2-yl)-5-(ethylamino)-N-...)
Affinity DataIC50:  5.75E+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 DepthDetails ArticlePubMed
TargetCathepsin D(Homo sapiens (Human))
Gsk

LigandPNGBDBM26785(3-(1,1-dioxo-1,2-thiazinan-2-yl)-5-(ethylamino)-N-...)
Affinity DataIC50: >1.00E+5nMAssay 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 DepthDetails ArticlePubMed
TargetBeta-secretase 2(Homo sapiens (Human))
Gsk

LigandPNGBDBM26785(3-(1,1-dioxo-1,2-thiazinan-2-yl)-5-(ethylamino)-N-...)
Affinity DataIC50: >1.00E+5nMAssay 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 DepthDetails ArticlePubMed