BDBM28944 (2S)-2-hydroxy-3-methyl-N-[(1S)-1-{[(1S)-3-methyl-2-oxo-2,3,4,5-tetrahydro-1H-3-benzazepin-1-yl]carbamoyl}ethyl]butanamide::LY450139::Semagacestat

SMILES CC(C)[C@H](O)C(=O)N[C@@H](C)C(=O)N[C@H]1c2ccccc2CCN(C)C1=O

InChI Key InChIKey=PKXWXXPNHIWQHW-RCBQFDQVSA-N

Data  9 IC50  2 EC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 28944   

LigandPNGBDBM28944((2S)-2-hydroxy-3-methyl-N-[(1S)-1-{[(1S)-3-methyl-...)
Affinity DataEC50:  28nMAssay Description:A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ...More data for this Ligand-Target Pair
TargetBile salt export pump(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM28944((2S)-2-hydroxy-3-methyl-N-[(1S)-1-{[(1S)-3-methyl-...)
Affinity DataIC50:  4.72E+5nMAssay Description:Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPresenilin-1(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM28944((2S)-2-hydroxy-3-methyl-N-[(1S)-1-{[(1S)-3-methyl-...)
Affinity DataIC50:  40nMAssay Description:Inhibition of gamma-secretase in human SHSY5Y cells expressing human recombinant APP assessed as amyloid beta42 formation by ELISAMore data for this Ligand-Target Pair
TargetPresenilin-1(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM28944((2S)-2-hydroxy-3-methyl-N-[(1S)-1-{[(1S)-3-methyl-...)
Affinity DataIC50:  100nMAssay Description:Inhibition of gamma-secretase in human SHSY5Y cells expressing human recombinant APP assessed as decrease in total Abeta level after 24 hrs by DELFIAMore data for this Ligand-Target Pair
TargetPresenilin-1(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM28944((2S)-2-hydroxy-3-methyl-N-[(1S)-1-{[(1S)-3-methyl-...)
Affinity DataIC50:  126nMAssay Description:Inhibition of gamma-secretase in human SHSY5Y cells expressing human recombinant APP assessed as decrease in Abeta42 level after 24 hrs by DELFIAMore data for this Ligand-Target Pair
TargetPresenilin-1(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM28944((2S)-2-hydroxy-3-methyl-N-[(1S)-1-{[(1S)-3-methyl-...)
Affinity DataIC50:  11nMAssay Description:Inhibition of gamma-secretase in human H4 cells assessed as reduction in amyloid beta 42More data for this Ligand-Target Pair
TargetPresenilin-1(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM28944((2S)-2-hydroxy-3-methyl-N-[(1S)-1-{[(1S)-3-methyl-...)
Affinity DataIC50:  200nMAssay Description:Inhibition of gamma-secretase in human SHSY5Y cells expressing human recombinant APP assessed as effect on Abeta40 level after 24 hrs by DELFIAMore data for this Ligand-Target Pair
TargetPresenilin-1(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM28944((2S)-2-hydroxy-3-methyl-N-[(1S)-1-{[(1S)-3-methyl-...)
Affinity DataIC50:  40nMAssay Description:Inhibition of gamma-secretase in human SHSY5Y cells expressing human recombinant APP assessed as amyloid beta40 formation by ELISAMore data for this Ligand-Target Pair
TargetPresenilin-1(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM28944((2S)-2-hydroxy-3-methyl-N-[(1S)-1-{[(1S)-3-methyl-...)
Affinity DataIC50:  11nMAssay Description:Inhibition of gamma secretase (unknown origin)More data for this Ligand-Target Pair
TargetPresenilin-1(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM28944((2S)-2-hydroxy-3-methyl-N-[(1S)-1-{[(1S)-3-methyl-...)
Affinity DataIC50:  14nMAssay Description:Inhibition of gamma secretase (unknown origin) mediated Notch signalingMore data for this Ligand-Target Pair
TargetPresenilin-1(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM28944((2S)-2-hydroxy-3-methyl-N-[(1S)-1-{[(1S)-3-methyl-...)
Affinity DataEC50:  126nMAssay Description:Inhibition of gamma-secretase in human SHSY5Y cells expressing human recombinant APP assessed as increase in Abeta38 level after 24 hrs by DELFIAMore data for this Ligand-Target Pair