BDBM50129271 CHEMBL3629741::US9464103, (6aR,10aS)-10a-(4-chlorobenzenesulfonyl)-1,4-difluoro-6,6a,8,9,10,10a-hexahydrospiro[benzo[c]isochromene-7,4'-[1λ⁶]thiane]-1',1'-dione

SMILES Fc1ccc(F)c2c1OC[C@H]1C3(CCC[C@@]21S(=O)(=O)c1ccc(Cl)cc1)CCS(=O)(=O)CC3

InChI Key InChIKey=HWLVLRSTFUBCSW-UHFFFAOYSA-N

Data  10 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50129271   

TargetAmyloid-beta precursor protein [672-711](Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM50129271(US9464103, (6aR,10aS)-10a-(4-chlorobenzenesulfonyl...)
Affinity DataIC50: 57.7nMpH: 7.0Assay Description:To measure γ-secretase activity, membranes were incubated at 37° C. for 1 h in 50 μL of buffer containing 20 mM Hepes (pH 7.0) and 2 mM EDT...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/18/2017
Entry Details
Go to US Patent

TargetCytochrome P450 3A4(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50129271(US9464103, (6aR,10aS)-10a-(4-chlorobenzenesulfonyl...)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin) co-incubated with substrate and proteinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2016
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50129271(US9464103, (6aR,10aS)-10a-(4-chlorobenzenesulfonyl...)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin) preincubated with protein for 30 mins followed by substrate additionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2016
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50129271(US9464103, (6aR,10aS)-10a-(4-chlorobenzenesulfonyl...)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin) co-incubated with substrate and proteinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2016
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50129271(US9464103, (6aR,10aS)-10a-(4-chlorobenzenesulfonyl...)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin) preincubated with protein for 30 mins followed by substrate additionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2016
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50129271(US9464103, (6aR,10aS)-10a-(4-chlorobenzenesulfonyl...)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin) co-incubated with substrate and proteinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2016
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50129271(US9464103, (6aR,10aS)-10a-(4-chlorobenzenesulfonyl...)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin) preincubated with protein for 30 mins followed by substrate additionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2016
Entry Details Article
PubMed
LigandPNGBDBM50129271(US9464103, (6aR,10aS)-10a-(4-chlorobenzenesulfonyl...)
Affinity DataIC50: 58nMAssay Description:Inhibition of gamma-secretase in HEK293 cell membranes using SPC99-Lon as substrate assessed as formation of amyloid beta 40 after 1 hr by electroche...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2016
Entry Details Article
PubMed
LigandPNGBDBM50129271(US9464103, (6aR,10aS)-10a-(4-chlorobenzenesulfonyl...)
Affinity DataIC50: 25nMAssay Description:Inhibition of gamma-secretase in HEK293 cells using human APP Swedish/London double mutant as substrate assessed as formation of amyloid beta 40 afte...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2016
Entry Details Article
PubMed
LigandPNGBDBM50129271(US9464103, (6aR,10aS)-10a-(4-chlorobenzenesulfonyl...)
Affinity DataIC50: 10nMAssay Description:Inhibition of gamma-secretase in HEK293 cells using human APP Swedish/London double mutant as substrate assessed as formation of amyloid beta 42 afte...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2016
Entry Details Article
PubMed