BDBM50297929 4-((S)-2-{4-[3-[(R)-1-(4-Fluoro-phenyl)-ethylcarbamoyl]-5-(methanesulfonyl-methyl-amino)-phenylcarbamoyl]-4-hydroxy-5-phenyl-pentanoylamino}-3-methyl-butyrylamino)-benzoic acid methyl ester::CHEMBL556529

SMILES COC(=O)c1ccc(NC(=O)[C@@H](NC(=O)CCC(O)(Cc2ccccc2)C(=O)Nc2cc(cc(c2)C(=O)N[C@H](C)c2ccc(F)cc2)N(C)S(C)(=O)=O)C(C)C)cc1

InChI Key InChIKey=AHTYFIFCTULFRB-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50297929   

TargetBeta-secretase 1(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50297929(4-((S)-2-{4-[3-[(R)-1-(4-Fluoro-phenyl)-ethylcarba...)
Affinity DataIC50: 4.00E+3nMAssay Description:Inhibition of human BACE1 expressed in Escherichia coli BL21(DE3) using Swedish mutant sequence Eu-EVNLDAEFK-Quencher substrate by homogeneous time r...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/27/2010
Entry Details Article
PubMed