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 1 hit for monomerid = 50580216   

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)