BDBM16289 3-N-[(1R,3S,4S)-1-[(4-fluorophenyl)carbamoyl]-3-hydroxy-1,6-dimethylheptan-4-yl]-1-N,1-N-dipropylbenzene-1,3-dicarboxamide::Hydroxyethylene (HE) compound 4::N -[(1S,2S,4R)-5-[(4-fluorophenyl)amino]-2-hydroxy-4-methyl-1-(2-methylpropyl)-5-oxopentyl]-N,N-dipropylbenzene-1,3-dicarboxamide

SMILES CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)Nc1ccc(F)cc1

InChI Key InChIKey=AJCHMQHPRWWZRF-UHFFFAOYSA-N

Data  1 KI

  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 = 16289   

TargetBeta-secretase 1 [22-454](Human)
Sunesis

LigandPNGBDBM16289(N -[(1S,2S,4R)-5-[(4-fluorophenyl)amino]-2-hydroxy...)
Affinity DataKi:  1.30E+3nM ΔG°:  -7.94kcal/molepH: 4.5 T: 2°CAssay Description:Compounds were tested for their ability to inhibit BACE-1 hydrolysis of the internally quenched fluorescent substrate FS-2. Reactions were initiated ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/9/2007
Entry Details Article
PubMed