BDBM50127427 (S)-4-[(S)-2-((S)-2-{(S)-4-[2-((1S,2S)-2-Acetylamino-3-(S)-methyl-butyrylamino)-4-methylsulfanyl-butyrylamino]-3-hydroxy-6-methyl-1-oxo-heptylamino}-3-methyl-butyrylamino)-propionylamino]-4-((S)-1-carboxy-2-phenyl-ethylcarbamoyl)-butyric acid::(S)-4-[2-((S)-2-{(S)-4-[(S)-2-((S)-2-Acetylamino-3-methyl-butyrylamino)-4-((S)-methylsulfanyl)-butyrylamino]-3-hydroxy-6-methyl-heptanoylamino}-3-methyl-butyrylamino)-propionylamino]-4-((S)-(S)-1-carboxy-2-phenyl-ethylcarbamoyl)-butyric acid::4-[2-(2-{4-[2-(2-Acetylamino-3-methyl-butyrylamino)-4-methylsulfanyl-butyrylamino]-3-hydroxy-6-methyl-heptanoylamino}-3-methyl-butyrylamino)-propionylamino]-4-(1-carboxy-2-phenyl-ethylcarbamoyl)-butyric acid::CHEMBL51386

SMILES CSCC[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](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=IUBJRDXEGAYCQB-VZVVEHFOSA-N

Data  3 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 3 hits for monomerid = 50127427   

TargetBeta-secretase 1(Homo sapiens (Human))
Elan Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50127427((S)-4-[(S)-2-((S)-2-{(S)-4-[2-((1S,2S)-2-Acetylami...)
Affinity DataIC50:  300nMAssay Description:Compound was tested for its inhibitory activity against human beta-Secretase (BACE)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Elan Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50127427((S)-4-[(S)-2-((S)-2-{(S)-4-[2-((1S,2S)-2-Acetylami...)
Affinity DataIC50:  300nMAssay Description:Inhibition of human Beta-secretase 1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Elan Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50127427((S)-4-[(S)-2-((S)-2-{(S)-4-[2-((1S,2S)-2-Acetylami...)
Affinity DataIC50:  300nMAssay Description:Inhibition of human beta-secretase (BACE) in MBP-C125 assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed