BDBM50313805 (1R,3S)-N-((2S,3S)-3-hydroxy-4-(3-isopropylbenzylamino)-1-phenylbutan-2-yl)-3-(2-(2-oxopyrrolidin-1-yl)propan-2-yl)cyclohexanecarboxamide::CHEMBL1077236

SMILES CC(C)c1cccc(CNC[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCC[C@@H](C2)C(C)(C)N2CCCC2=O)c1

InChI Key InChIKey=ZTFBNTHPVBDCAM-UHFFFAOYSA-N

Data  4 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50313805   

TargetBeta-secretase 1(Human)
University of Montreal

Curated by ChEMBL
LigandPNGBDBM50313805((1R,3S)-N-((2S,3S)-3-hydroxy-4-(3-isopropylbenzyla...)
Affinity DataIC50: 25nMAssay Description:Inhibition of BACE1More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/18/2010
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
University of Montreal

Curated by ChEMBL
LigandPNGBDBM50313805((1R,3S)-N-((2S,3S)-3-hydroxy-4-(3-isopropylbenzyla...)
Affinity DataIC50: 130nMAssay Description:Inhibition of BACE1 expressed in CHO cells co-transfected with human APP assessed as inhibition of cellular release of Abeta 40 after 24 hrsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/18/2010
Entry Details Article
PubMed
TargetCathepsin D(Human)
University of Montreal

Curated by ChEMBL
LigandPNGBDBM50313805((1R,3S)-N-((2S,3S)-3-hydroxy-4-(3-isopropylbenzyla...)
Affinity DataIC50: 560nMAssay Description:Inhibition of Cathepsin DMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/18/2010
Entry Details Article
PubMed
TargetBeta-secretase 2(Human)
University of Montreal

Curated by ChEMBL
LigandPNGBDBM50313805((1R,3S)-N-((2S,3S)-3-hydroxy-4-(3-isopropylbenzyla...)
Affinity DataIC50: 960nMAssay Description:Inhibition of BACE2More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/18/2010
Entry Details Article
PubMed