BDBM50307379 CHEMBL603119::N-[(1S,2S,4R)-4-((S)-1-Benzylcarbamoyl-2-methyl-propylcarbamoyl)-1-phenoxymethyl-2-hydroxy-4-methoxy-butyl]-5-(methanesulfonyl-methyl-amino)-N'-((R)-1-phenylethyl)-isophthalamide

SMILES CO[C@H](C[C@H](O)[C@H](COc1ccccc1)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=DTTSEJMKQUQGEF-CKEKOUTOSA-N

Data  2 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 2 hits for monomerid = 50307379   

TargetBeta-secretase 1(Homo sapiens (Human))
Stockholm University

Curated by ChEMBL
LigandPNGBDBM50307379(CHEMBL603119 | N-[(1S,2S,4R)-4-((S)-1-Benzylcarbam...)
Affinity DataKi:  9nMAssay Description:Inhibition of human BACE1 expressed in Escherichia coli cells (BL21(DE3) by TRF assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin D(Homo sapiens (Human))
Stockholm University

Curated by ChEMBL
LigandPNGBDBM50307379(CHEMBL603119 | N-[(1S,2S,4R)-4-((S)-1-Benzylcarbam...)
Affinity DataKi:  460nMAssay Description:Inhibition of human liver cathepsin DMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed