BDBM50307383 CHEMBL589627::N-[(1S,2S,4R)-4-((S)-1-Benzylcarbamoyl-2-methyl-propylcarbamoyl)-1-(3,5-difluorobenzyloxymethyl)-2-hydroxy-4-methoxy-butyl]-N',N'-dipropyl-isophthalamide

SMILES CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](COCc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](OC)C(=O)NC1CC1

InChI Key InChIKey=QUWWAUCPQVSXGF-UHFFFAOYSA-N

Data  1 KI

  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 = 50307383   

TargetBeta-secretase 1(Human)
Stockholm University

Curated by ChEMBL
LigandPNGBDBM50307383(N-[(1S,2S,4R)-4-((S)-1-Benzylcarbamoyl-2-methyl-pr...)
Affinity DataKi: >1.00E+4nMAssay 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