BDBM50307380 CHEMBL589771::N-[(1S,2S,4R)-4-((S)-1-Benzylcarbamoyl-2-methyl-propylcarbamoyl)-1-(3,5-difluorophenoxymethyl)-2-hydroxy-4-methoxy-butyl]-5-(methanesulfonyl-methylamino)-N'-((R)-1-phenyl-ethyl)-isophthalamide

SMILES CO[C@H](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)CS(C)(=O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1

InChI Key InChIKey=LNBSLHNHHTYHMF-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 50307380   

TargetBeta-secretase 1(Human)
Stockholm University

Curated by ChEMBL
LigandPNGBDBM50307380(N-[(1S,2S,4R)-4-((S)-1-Benzylcarbamoyl-2-methyl-pr...)
Affinity DataKi: <1nMAssay Description:Inhibition of human BACE1 expressed in Escherichia coli cells (BL21(DE3) by TRF assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/1/2010
Entry Details Article
PubMed
TargetCathepsin D(Human)
Stockholm University

Curated by ChEMBL
LigandPNGBDBM50307380(N-[(1S,2S,4R)-4-((S)-1-Benzylcarbamoyl-2-methyl-pr...)
Affinity DataKi:  1.10E+3nMAssay Description:Inhibition of human liver cathepsin DMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/1/2010
Entry Details Article
PubMed