BDBM50313800 (1R,3S)-3-(2-acetamidopropan-2-yl)-N-((2S,3S,5R)-6-(butylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl)cyclohexanecarboxamide::(1R,3S)-3-[1-(acetylamino)-1-methylethyl]-N-[(1S,2S,4R)-1-benzyl-5-(butylamino)-2-hydroxy-4-methyl-5-oxopentyl]cyclohexanecarboxamide::CHEMBL1093388

SMILES CCCCNC(=O)[C@H](C)C[C@@H]([C@H](Cc1ccccc1)NC(=O)[C@@H]2CCC[C@@H](C2)C(C)(C)NC(=O)C)O

InChI Key InChIKey=NGUMIHCAWWHVPZ-UHFFFAOYSA-N

Data  3 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50313800   

TargetBeta-secretase 1(Human)
University of Montreal

Curated by ChEMBL
LigandPNGBDBM50313800((1R,3S)-3-[1-(acetylamino)-1-methylethyl]-N-[(1S,2...)
Affinity DataIC50: 3.70E+3nMAssay Description:Inhibition of BACE1More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/18/2010
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCathepsin D(Human)
University of Montreal

Curated by ChEMBL
LigandPNGBDBM50313800((1R,3S)-3-[1-(acetylamino)-1-methylethyl]-N-[(1S,2...)
Affinity DataIC50: 240nMAssay 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
LigandPNGBDBM50313800((1R,3S)-3-[1-(acetylamino)-1-methylethyl]-N-[(1S,2...)
Affinity DataIC50: 370nMAssay Description:Inhibition of BACE2More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/18/2010
Entry Details Article
PubMed