BDBM16773 Substrate-based BACE-1 inhibitor, 12::tert-butyl N-[(1S)-1-{[(1R,3S,4S)-1-{[(1S)-1-(benzylcarbamoyl)ethyl]carbamoyl}-3-hydroxy-1,6-dimethylheptan-4-yl]carbamoyl}-2-carbamoylethyl]carbamate

SMILES CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)NCc1ccccc1

InChI Key InChIKey=MOALZWBFKAHSKG-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 16773   

TargetBeta-secretase 1(Human)
University of Illinois At Chicago

LigandPNGBDBM16773(tert-butyl N-[(1S)-1-{[(1R,3S,4S)-1-{[(1S)-1-(benz...)
Affinity DataKi:  2.24E+4nM ΔG°:  -6.59kcal/molepH: 4.5 T: 2°CAssay Description:Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2007
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
University of Illinois At Chicago

LigandPNGBDBM16773(tert-butyl N-[(1S)-1-{[(1R,3S,4S)-1-{[(1S)-1-(benz...)
Affinity DataKi:  2.24E+4nMAssay Description:Inhibition of human recombinant BACE1 ectodomain (1 to 460 amino acids) assessed as inhibition of proteolytic cleavage of Rhodamine-EVNLDAEFK-Quenche...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/22/2012
Entry Details Article
PubMed