BDBM50108528 4-{2-[2-(4-{2-[2-(2-Amino-4-carboxy-butyrylamino)-3-methyl-butyrylamino]-3-carbamoyl-propionylamino}-3-hydroxy-6-methyl-heptanoylamino)-3-methyl-butyrylamino]-propionylamino}-4-(1-carboxy-2-phenyl-ethylcarbamoyl)-butyric acid(NH2-Glu-Val-Asn-Sta-Val-Ala-Glu-Phe-COOH)::CHEMBL2370116

SMILES CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)C(O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O

InChI Key InChIKey=JKPIGOLCXAOIJV-DABCXOIOSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50108528   

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

Curated by ChEMBL
LigandPNGBDBM50108528(4-{2-[2-(4-{2-[2-(2-Amino-4-carboxy-butyrylamino)-...)
Affinity DataIC50:  40nMAssay 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