BDBM50227345 CHEMBL255194::N'-[(1S,2R)-2-[(2R,4S)-4-benzylpiperidin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide::N1-((1R,2S)-1-((2R,4S)-4-benzylpiperidin-2-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide

SMILES CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@@H](Cc2ccccc2)CCN1

InChI Key InChIKey=UKXYKYZOSFWZIM-FLQGXGFZSA-N

Data  4 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50227345   

TargetBeta-secretase 1(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50227345(CHEMBL255194 | N'-[(1S,2R)-2-[(2R,4S)-4-benzylpipe...)
Affinity DataIC50:  522nMAssay Description:Inhibition of BACE1 in HEK293 cells transfected with human APP cDNA containing Swedish ad London FAD mutant assessed as inhibition of amyloid beta 1-...More data for this Ligand-Target Pair
TargetBeta-secretase 1(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50227345(CHEMBL255194 | N'-[(1S,2R)-2-[(2R,4S)-4-benzylpipe...)
Affinity DataIC50:  14nMAssay Description:Inhibition of human BACE1More data for this Ligand-Target Pair
TargetBeta-secretase 1(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50227345(CHEMBL255194 | N'-[(1S,2R)-2-[(2R,4S)-4-benzylpipe...)
Affinity DataIC50:  522nMAssay Description:Inhibition of human BACE1 assessed as amyloid beta 40 production in human HEK293 cells by ELISAMore data for this Ligand-Target Pair
TargetBeta-secretase 1(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50227345(CHEMBL255194 | N'-[(1S,2R)-2-[(2R,4S)-4-benzylpipe...)
Affinity DataIC50:  14nMAssay Description:Inhibition of BACE1 (unknown origin)More data for this Ligand-Target Pair