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

SMILES CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F

InChI Key InChIKey=YHYKUSGACIYRML-KRWDZBQOSA-N

Data  4 KI  2 IC50

PDB links: 3 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50580216   

TargetBeta-secretase 1(Homo sapiens (Human))
Shionogi Pharmaceutical Research Center

Curated by ChEMBL
LigandPNGBDBM50580216(MK-8931 | SCH 900931 | SCH-900931 | SCH900931 | VE...)
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
TargetBeta-secretase 1(Homo sapiens (Human))
Shionogi Pharmaceutical Research Center

Curated by ChEMBL
LigandPNGBDBM50580216(MK-8931 | SCH 900931 | SCH-900931 | SCH900931 | VE...)
Affinity DataKi:  2nMAssay Description:Inhibition of BACE1 (unknown origin)More data for this Ligand-Target Pair
TargetBeta-secretase 1(Homo sapiens (Human))
Shionogi Pharmaceutical Research Center

Curated by ChEMBL
LigandPNGBDBM50580216(MK-8931 | SCH 900931 | SCH-900931 | SCH900931 | VE...)
Affinity DataKi:  2.20nMAssay Description:Inhibition of BACE-1 (unknown origin)More data for this Ligand-Target Pair
TargetBeta-secretase 2(Homo sapiens (Human))
Shionogi Pharmaceutical Research Center

Curated by ChEMBL
LigandPNGBDBM50580216(MK-8931 | SCH 900931 | SCH-900931 | SCH900931 | VE...)
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
TargetBeta-secretase 1(Homo sapiens (Human))
Shionogi Pharmaceutical Research Center

Curated by ChEMBL
LigandPNGBDBM50580216(MK-8931 | SCH 900931 | SCH-900931 | SCH900931 | VE...)
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
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50580216(MK-8931 | SCH 900931 | SCH-900931 | SCH900931 | VE...)
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 DepthDetails PubMed