BDBM29744 hydroxyethylene tripeptide inhibitor, 1

SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)CCC(C)C

InChI Key InChIKey=XTRMRNMVFXWTCC-MLNNCEHLSA-N

Data  5 IC50

PDB links: 2 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 29744   

TargetBeta-secretase 1 [1-453](Homo sapiens (Human))
Novartis

LigandPNGBDBM29744(hydroxyethylene tripeptide inhibitor, 1)
Affinity DataIC50:  1.40E+3nMpH: 4.5 T: 2°CAssay Description:Inhibition assays were done in black 96-well plates by adding test compounds to the respective enzyme in assay buffer. Plates were incubated at room ...More data for this Ligand-Target Pair
TargetCathepsin D(Homo sapiens (Human))
Novartis

LigandPNGBDBM29744(hydroxyethylene tripeptide inhibitor, 1)
Affinity DataIC50:  370nMpH: 3.1 T: 2°CAssay Description:Inhibition assays were done in black 96-well plates by adding test compounds to the respective enzyme in assay buffer. Plates were incubated at room ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin D(Homo sapiens (Human))
Novartis

LigandPNGBDBM29744(hydroxyethylene tripeptide inhibitor, 1)
Affinity DataIC50:  370nMAssay Description:Inhibition of human cathepsin DMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM29744(hydroxyethylene tripeptide inhibitor, 1)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of BACE1 expressed in CHO cells expressing human recombinant APP assessed as amyloid beta40 aggregationMore data for this Ligand-Target Pair
TargetBeta-secretase 1(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM29744(hydroxyethylene tripeptide inhibitor, 1)
Affinity DataIC50:  1.40E+3nMAssay Description:Inhibition of BACE1More data for this Ligand-Target Pair