BDBM50297712 (S)-4-Amino-4-{(3S,6S)-13-[(2-{(S)-1-[(S)-3-carboxy-1-((S)-1-carboxy-2-phenyl-ethylcarbamoyl)-propylcarbamoyl]-2-methyl-propylcarbamoyl}-propyl)-hydroxy-phosphinoyl]-3-carboxymethyl-2,5-dioxo-1,4diaza-cyclotridec-6-ylcarbamoyl}-butyric acid::CHEMBL556143

SMILES CC(C)[C@H](NC(=O)C(C)CP(O)(O)C1=NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCCC1)NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O

InChI Key InChIKey=YOSWIWYXSXKFDO-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50297712   

TargetBeta-secretase 1(Human)
Technische Universit£T M£Nchen

Curated by ChEMBL
LigandPNGBDBM50297712((S)-4-Amino-4-{(3S,6S)-13-[(2-{(S)-1-[(S)-3-carbox...)
Affinity DataIC50: 522nMAssay Description:Inhibition of ectodomain of BACE1 secreted from HEK393 cells by fluorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/27/2010
Entry Details Article
PubMed