BDBM50139112 (S)-N-((1S,2S,4R)-1-Benzyl-2,6-dihydroxy-4-isobutylcarbamoyl-hexyl)-2-(3-methyl-butyrylamino)-succinamic acid::CHEMBL347901

SMILES CC(C)CNC(=O)[C@H](CCO)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)C[C@H](NC(=O)CC(C)C)C(O)=O

InChI Key InChIKey=BIQKMOUAVXIPRL-UHFFFAOYSA-N

Data  3 KI

  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 3 hits for monomerid = 50139112   

TargetBeta-secretase 1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50139112((S)-N-((1S,2S,4R)-1-Benzyl-2,6-dihydroxy-4-isobuty...)
Affinity DataKi:  1.90E+3nMAssay Description:Tested for inhibition of Beta-secretase 1 (BACE 1) expressed in insect cell using baculovirusMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetRenin(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50139112((S)-N-((1S,2S,4R)-1-Benzyl-2,6-dihydroxy-4-isobuty...)
Affinity DataKi:  1.09E+4nMAssay Description:Compound was tested for inhibition of human reninMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCathepsin D(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50139112((S)-N-((1S,2S,4R)-1-Benzyl-2,6-dihydroxy-4-isobuty...)
Affinity DataKi:  1.25E+4nMAssay Description:Compound was tested for inhibition of cathepsin DMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed