BDBM16288 3-N-[(1R,3R,4S)-3-amino-1-{[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]carbamoyl}-1,6-dimethylheptan-4-yl]-1-N,1-N-dipropylbenzene-1,3-dicarboxamide::Aminoethylene (AE) compound 3::N -[(1S,2R,4R)-2-amino-5-{[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]amino}-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](N)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1

InChI Key InChIKey=FCHFJDXLCKNCCS-XFDURZHPSA-N

Data  1 KI

  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 = 16288   

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

LigandPNGBDBM16288(3-N-[(1R,3R,4S)-3-amino-1-{[(1S)-1-(benzylcarbamoy...)
Affinity DataKi:  1.13E+4nM ΔG°:  -6.68kcal/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 DepthDetails ArticlePubMed