BDBM50108543 CHEMBL405808::NH2-Thr-Asn-Ile-Lys-Thr-Glu-Glu-Ile-Ser-Glu-Val-Asn-Met-Asp-Ala-Glu-Phe-Arg

SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O

InChI Key InChIKey=VNOIDBZEGUIAAL-MJIPZAAXSA-N

Data  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 1 hit for monomerid = 50108543   

TargetBeta-secretase 1(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50108543(CHEMBL405808 | NH2-Thr-Asn-Ile-Lys-Thr-Glu-Glu-Ile...)
Affinity DataIC50: >2.00E+5nMAssay Description:Inhibition of human brain beta-secretase, using MBPC125Swe (maltose-binding-protein C-125 Swedish) assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed