BDBM50274099 5-((S)-2-{(3S,4S)-5-(3,5-Difluoro-phenoxy)-3-hydroxy-4-[3-(methanesulfonyl-methyl-amino)-5-((R)-1-phenyl-ethylcarbamoyl)-benzoylamino]-pentanoylamino}-3-methylbutyrylamino)-isophthalic acid::CHEMBL500876

SMILES CC(C)[C@H](NC(=O)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O

InChI Key InChIKey=XYKCBRCSBVZGIL-UHFFFAOYSA-N

Data  1 KI  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 2 hits for monomerid = 50274099   

TargetBeta-secretase 1(Human)
LinköPing University

Curated by ChEMBL
LigandPNGBDBM50274099(5-((S)-2-{(3S,4S)-5-(3,5-Difluoro-phenoxy)-3-hydro...)
Affinity DataIC50: 37nMAssay Description:Inhibition of human BACE1 expressed in Escherichia coli BL21(DE3) by resolved fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCathepsin D(Human)
LinköPing University

Curated by ChEMBL
LigandPNGBDBM50274099(5-((S)-2-{(3S,4S)-5-(3,5-Difluoro-phenoxy)-3-hydro...)
Affinity DataKi:  780nMAssay Description:Inhibition of human cathepsin DMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed