BDBM50317048 CHEMBL1097342::N-((1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((R)-4-(m-tolylsulfonyl)piperazin-2-yl)propan-2-yl)-3-((R)-2-(methoxymethyl)pyrrolidine-1-carbonyl)-5-methylbenzamide::N-[(1S,2S)-1-(3,5-difluorobenzyl)-2-hydroxy-2-{(2R)-4-[(3-methylphenyl)sulfonyl]piperazin-2-yl}ethyl]-3-{[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]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(=O)(=O)c1cccc(C)c1

InChI Key InChIKey=CQQMWBPWYUPVOC-PPESYSCFSA-N

Data  4 KI  1 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50317048   

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

Curated by ChEMBL
LigandPNGBDBM50317048(CHEMBL1097342 | N-((1S,2S)-3-(3,5-difluorophenyl)-...)
Affinity DataKi:  0.800nMAssay Description:Inhibition oh BACE1More data for this Ligand-Target Pair
TargetBeta-secretase 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50317048(CHEMBL1097342 | N-((1S,2S)-3-(3,5-difluorophenyl)-...)
Affinity DataKi:  5.40nMAssay Description:Inhibition oh BACE2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin E(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50317048(CHEMBL1097342 | N-((1S,2S)-3-(3,5-difluorophenyl)-...)
Affinity DataKi:  86nMAssay Description:Inhibition oh cathepsin EMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin D(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50317048(CHEMBL1097342 | N-((1S,2S)-3-(3,5-difluorophenyl)-...)
Affinity DataKi:  200nMAssay Description:Inhibition oh cathepsin DMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50317048(CHEMBL1097342 | N-((1S,2S)-3-(3,5-difluorophenyl)-...)
Affinity DataIC50:  7nMAssay Description:Inhibition of BACE1 expressed in HEK293 cells expressing human APP assessed as amyloid beta42 productionMore data for this Ligand-Target Pair