BDBM50320583 Benzyl 5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-2,6-dimethyl-1-(methylsulfonyl)-4-propyl-1,4-dihydropyridine-3-carboxylate::CHEMBL1163401

SMILES CCCC1C(C(=O)NOCc2ccccc2)=C(C)N(C(C)=C1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)S(C)(=O)=O

InChI Key InChIKey=AMLMIHYWWUTQAK-UHFFFAOYSA-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 = 50320583   

TargetBeta-secretase 1(Human)
Institute of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50320583(Benzyl 5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1...)
Affinity DataIC50: 8.10E+3nMAssay Description:Inhibition of BACE1 in human HEK293 cells transfected with pCDNA-neo-SEAP-APP assessed as secreted alkaline phosphatase after cleavage of beta-site o...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/20/2010
Entry Details Article
PubMed