BDBM15798 (1S,2R)-N-[1-(3,5-Difluorobenzyl)-2-hydroxy-3-(3-methoxybenzylamino)-propyl]-5-methyl-N,N-dipropylisophthalamide::3-N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-{[(3-methoxyphenyl)methyl]amino}butan-2-yl]-5-methyl-1-N,1-N-dipropylbenzene-1,3-dicarboxamide::hydroxyethyl secondary amine (HEA) inhibitor 6c

SMILES CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1

InChI Key InChIKey=JEEOUWBWJFSMIP-IOWSJCHKSA-N

Data  6 IC50

PDB links: 2 PDB IDs match this monomer.

  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 6 hits for monomerid = 15798   

TargetBeta-secretase 1(Homo sapiens (Human))
Elan Pharmaceuticals

LigandPNGBDBM15798((1S,2R)-N-[1-(3,5-Difluorobenzyl)-2-hydroxy-3-(3-m...)
Affinity DataIC50:  20nMpH: 4.8 T: 2°CAssay Description:Beta-cleavage ELISA assays were carried out in reaction buffer containing enzyme, substrate MBP-C125, and test compounds. Generated beta-cleaved prod...More data for this Ligand-Target Pair
TargetBeta-secretase 1(Homo sapiens (Human))
Elan Pharmaceuticals

LigandPNGBDBM15798((1S,2R)-N-[1-(3,5-Difluorobenzyl)-2-hydroxy-3-(3-m...)
Affinity DataIC50:  80nMAssay Description:Inhibition of BACE1 in human HEK293 cells overexpressing APP with Swedish mutation assessed as inhibition of amyloidbeta 40 productionMore data for this Ligand-Target Pair
TargetBeta-secretase 1(Homo sapiens (Human))
Elan Pharmaceuticals

LigandPNGBDBM15798((1S,2R)-N-[1-(3,5-Difluorobenzyl)-2-hydroxy-3-(3-m...)
Affinity DataIC50:  20nMAssay Description:Inhibition of BACE1More data for this Ligand-Target Pair
TargetBeta-secretase 1(Homo sapiens (Human))
Elan Pharmaceuticals

LigandPNGBDBM15798((1S,2R)-N-[1-(3,5-Difluorobenzyl)-2-hydroxy-3-(3-m...)
Affinity DataIC50:  31nMAssay Description:Binding affinity to BACE assessed as displacement of [3H]BMS-599240More data for this Ligand-Target Pair
TargetBeta-secretase 1(Homo sapiens (Human))
Elan Pharmaceuticals

LigandPNGBDBM15798((1S,2R)-N-[1-(3,5-Difluorobenzyl)-2-hydroxy-3-(3-m...)
Affinity DataIC50:  15nMAssay Description:Inhibition of human BACE by cell based assayMore data for this Ligand-Target Pair
TargetBeta-secretase 1(Homo sapiens (Human))
Elan Pharmaceuticals

LigandPNGBDBM15798((1S,2R)-N-[1-(3,5-Difluorobenzyl)-2-hydroxy-3-(3-m...)
Affinity DataIC50:  20nMAssay Description:Inhibition of human BACEMore data for this Ligand-Target Pair