BDBM50274096 4-[((S)-2-{(3S,4S)-5-Benzyloxy-3-hydroxy-4-[3-(methanesulfonyl-methyl-amino)-5-((R)-1-phenyl-ethylcarbamoyl)-benzoylamino]-pentanoylamino}-3-methylbutyrylamino)-methyl]-benzoic acid::CHEMBL443909

SMILES CC(C)[C@H](NC(=O)C[C@H](O)[C@H](COCc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)NCc1ccc(cc1)C(O)=O

InChI Key InChIKey=QJQRVBQEIVDUTB-UHFFFAOYSA-N

Data  1 KI  1 IC50

  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 2 hits for monomerid = 50274096   

TargetBeta-secretase 1(Human)
LinköPing University

Curated by ChEMBL
LigandPNGBDBM50274096(4-[((S)-2-{(3S,4S)-5-Benzyloxy-3-hydroxy-4-[3-(met...)
Affinity DataIC50: 24nMAssay Description:Inhibition of human BACE1 expressed in Escherichia coli BL21(DE3) by resolved fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetCathepsin D(Human)
LinköPing University

Curated by ChEMBL
LigandPNGBDBM50274096(4-[((S)-2-{(3S,4S)-5-Benzyloxy-3-hydroxy-4-[3-(met...)
Affinity DataKi:  180nMAssay Description:Inhibition of human cathepsin DMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed