BDBM50580216 MK-8931::SCH 900931::SCH-900931::SCH900931::VERUBECESTAT::Verubecestat

SMILES C[C@]1(CS(=O)(=O)N(C(=N1)N)C)c2cc(ccc2F)NC(=O)c3ccc(cn3)F

InChI Key InChIKey=YHYKUSGACIYRML-UHFFFAOYSA-N

Data  4 KI  2 IC50

PDB links: 3 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50580216   

TargetBeta-secretase 1(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50580216(VERUBECESTAT | Verubecestat | MK-8931 | SCH 900931...)
Affinity DataIC50: 4nMAssay Description:Inhibition of BACE1 (unknown origin) expressed in HEK293 cells expressing human APP with Swedish and London familial AD mutationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50580216(VERUBECESTAT | Verubecestat | MK-8931 | SCH 900931...)
Affinity DataIC50: 2.20E+3nMAssay Description:Inhibition of human ERG expressed in HEK cells by voltage clamp assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetBeta-secretase 1(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50580216(VERUBECESTAT | Verubecestat | MK-8931 | SCH 900931...)
Affinity DataKi:  0.400nMAssay Description:Displacement of [3H] JNJ-962 from BACE1 (unknown origin) expressed in HEK293 cell membranes assessed as inhibition constant at pH 6.2 by scintillatio...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/4/2023
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBeta-secretase 1(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50580216(VERUBECESTAT | Verubecestat | MK-8931 | SCH 900931...)
Affinity DataKi:  2nMAssay Description:Inhibition of BACE1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetBeta-secretase 1(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50580216(VERUBECESTAT | Verubecestat | MK-8931 | SCH 900931...)
Affinity DataKi:  2.20nMAssay Description:Inhibition of BACE-1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetBeta-secretase 2(Human)
Shionogi

Curated by ChEMBL
LigandPNGBDBM50580216(VERUBECESTAT | Verubecestat | MK-8931 | SCH 900931...)
Affinity DataKi:  11nMAssay Description:Displacement of [3H] JNJ-962 from BACE2 (unknown origin) expressed in HEK293 cell membranes assessed as inhibition constant at pH 6.2 by scintillatio...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/4/2023
Entry Details Article
PubMedPDB3D3D Structure (crystal)