BDBM16291 3-N-[(2S,3S,5R)-3-amino-5-{[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]carbamoyl}-5-methyl-1-phenylpentan-2-yl]-1-N,1-N-dipropylbenzene-1,3-dicarboxamide::Aminoethylene (AE) compound 6::N -[(1S,2S,4R)-2-amino-1-benzyl-5-{[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]amino}-4-methyl-5-oxopentyl]-N,N-dipropylbenzene-1,3-dicarboxamide

SMILES CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](N)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1

InChI Key InChIKey=CFGDZHHUKZKWPM-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 = 16291   

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

LigandPNGBDBM16291(N -[(1S,2S,4R)-2-amino-1-benzyl-5-{[(1S)-1-(benzyl...)
Affinity DataKi:  33nM ΔG°:  -10.1kcal/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