BDBM15799 CHEMBL81671::Macrocyclic BACE inhibitor 1::tert-butyl N-[(1S)-1-{[(1S)-1-{[(2S,3S,5R)-3-hydroxy-5-methyl-5-{[(1S)-2-methyl-1-[(pyridin-4-ylmethyl)carbamoyl]propyl]carbamoyl}-1-phenylpentan-2-yl]carbamoyl}ethyl]carbamoyl}-2-methylpropyl]carbamate

SMILES CC(C)[C@H](NC(=O)[C@H](C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)NCc1ccncc1

InChI Key InChIKey=WWRRFQHCNOJJJP-UHFFFAOYSA-N

Data  5 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 5 hits for monomerid = 15799   

TargetBeta-secretase 1(Human)
Eli Lilly

LigandPNGBDBM15799(CHEMBL81671 | tert-butyl N-[(1S)-1-{[(1S)-1-{[(2S,...)
Affinity DataIC50: 82nMpH: 4.6 T: 2°CAssay Description:The substrate is linked to a fluorescent dye on one end and to a quenching group on its other end. The fluorescence of the substrate is significantly...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/14/2007
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
Eli Lilly

LigandPNGBDBM15799(CHEMBL81671 | tert-butyl N-[(1S)-1-{[(1S)-1-{[(2S,...)
Affinity DataIC50: 82nMAssay Description:In vitro inhibition of Beta-secretase-1 in HEK293 (Human Embryonic Kidney) cell line.More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/10/2012
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
Eli Lilly

LigandPNGBDBM15799(CHEMBL81671 | tert-butyl N-[(1S)-1-{[(1S)-1-{[(2S,...)
Affinity DataIC50: 82nMAssay Description:In vitro inhibitory activity against Beta-secretase 1 in human HEK293 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/10/2012
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
Eli Lilly

LigandPNGBDBM15799(CHEMBL81671 | tert-butyl N-[(1S)-1-{[(1S)-1-{[(2S,...)
Affinity DataIC50: 82nMAssay Description:Inhibition of BACE1More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
Eli Lilly

LigandPNGBDBM15799(CHEMBL81671 | tert-butyl N-[(1S)-1-{[(1S)-1-{[(2S,...)
Affinity DataIC50: 2.10E+3nMAssay Description:Inhibition of BACE1 by cell based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed