BDBM50129270 CHEMBL3629740::US9464103, (6aR,7S,10aS)-10a-(4-chlorobenzenesulfonyl)-1,4-difluoro-6,6a,8,9,10,10a-hexahydrospiro[benzo[c]isochromene-7,3'-oxolane]-2'-one

SMILES Fc1ccc(F)c2c1OC[C@H]1[C@@]3(CCOC3=O)CCC[C@@]21S(=O)(=O)c1ccc(Cl)cc1

InChI Key InChIKey=AZSDCDNUQDIYHT-HSQYWUDLSA-N

Data  8 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50129270   

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

US Patent
LigandPNGBDBM50129270(CHEMBL3629740 | US9464103, (6aR,7S,10aS)-10a-(4-ch...)
Affinity DataIC50:  228nMpH: 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 DepthDetails US Patent
TargetCytochrome P450 3A4(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50129270(CHEMBL3629740 | US9464103, (6aR,7S,10aS)-10a-(4-ch...)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin) co-incubated with substrate and proteinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50129270(CHEMBL3629740 | US9464103, (6aR,7S,10aS)-10a-(4-ch...)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin) preincubated with protein for 30 mins followed by substrate additionMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50129270(CHEMBL3629740 | US9464103, (6aR,7S,10aS)-10a-(4-ch...)
Affinity DataIC50:  228nMAssay 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 DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50129270(CHEMBL3629740 | US9464103, (6aR,7S,10aS)-10a-(4-ch...)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin) preincubated with protein for 30 mins followed by substrate additionMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50129270(CHEMBL3629740 | US9464103, (6aR,7S,10aS)-10a-(4-ch...)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin) co-incubated with substrate and proteinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50129270(CHEMBL3629740 | US9464103, (6aR,7S,10aS)-10a-(4-ch...)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin) preincubated with protein for 30 mins followed by substrate additionMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50129270(CHEMBL3629740 | US9464103, (6aR,7S,10aS)-10a-(4-ch...)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin) co-incubated with substrate and proteinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed