BDBM50300176 2-Ethyl-6-methyl-7,7-dioxo-6,7,8,9-tetrahydro-7lambda6-thia-6,9adiaza-benzo[cd]azulene-carboxylic acid [1S-(3,5-difluoro-phenoxymethyl)-2S-hydroxy-4R-methoxy-5-(4-methoxy-benzyloxy)-pentyl]-amide::CHEMBL583304

SMILES CCc1cn2CCS(=O)(=O)N(C)c3ccc(C(=O)N[C@@H](COc4cc(F)cc(F)c4)[C@@H](O)C[C@H](COCc4ccc(OC)cc4)OC)c1c23

InChI Key InChIKey=DVDWJHOETXTLAZ-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 = 50300176   

TargetBeta-secretase 1(Human)
Stockholm University

Curated by ChEMBL
LigandPNGBDBM50300176(2-Ethyl-6-methyl-7,7-dioxo-6,7,8,9-tetrahydro-7lam...)
Affinity DataIC50: 1.50E+3nMAssay Description:Inhibition of human brain BACE1 expressed in Escherichia coli BL21(DE) by TRF assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/29/2010
Entry Details Article
PubMed