BDBM50317062 CHEMBL1097355::N-((1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((R)-4-(methylsulfonyl)piperazin-2-yl)propan-2-yl)-3-((R)-2-(methoxymethyl)pyrrolidine-1-carbonyl)-5-methylbenzamide

SMILES COC[C@H]1CCCN1C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(C)(=O)=O

InChI Key InChIKey=IMGGISDXENNSOV-RAVGUYNFSA-N

Data  1 KI  1 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 = 50317062   

TargetBeta-secretase 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50317062(CHEMBL1097355 | N-((1S,2S)-3-(3,5-difluorophenyl)-...)
Affinity DataKi:  13nMAssay Description:Inhibition oh BACE1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50317062(CHEMBL1097355 | N-((1S,2S)-3-(3,5-difluorophenyl)-...)
Affinity DataIC50:  220nMAssay Description:Inhibition of BACE1 expressed in HEK293 cells expressing human APP assessed as amyloid beta42 productionMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed