BDBM28986 N-{4-[(4-chlorobenzene)sulfonyl]-4-(2,5-difluorophenyl)cyclohexyl}trifluoromethanesulfonamide::cyclohexyl sulfone-based compound, 32

SMILES Fc1ccc(F)c(c1)[C@]1(CC[C@@H](CC1)NS(=O)(=O)C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1

InChI Key InChIKey=WDZVWDXOIGQJIO-UHFFFAOYSA-N

Data  10 IC50  1 EC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 28986   

LigandPNGBDBM28986(N-{4-[(4-chlorobenzene)sulfonyl]-4-(2,5-difluoroph...)
Affinity DataEC50:  0.650nMAssay Description:A whole-cell gamma-secretase inhibition assay using SHSY5Y neuroblastoma cells in which human gamma-secretase catalyzes the breakdown of the overexpr...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 3A4(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM28986(N-{4-[(4-chlorobenzene)sulfonyl]-4-(2,5-difluoroph...)
Affinity DataIC50: 9.30E+3nMAssay Description:Inhibition of CYP3A4 (unknown origin) preincubated with protein for 30 mins followed by substrate additionMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 2D6(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM28986(N-{4-[(4-chlorobenzene)sulfonyl]-4-(2,5-difluoroph...)
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 Article
PubMed
TargetCytochrome P450 2D6(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM28986(N-{4-[(4-chlorobenzene)sulfonyl]-4-(2,5-difluoroph...)
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 Article
PubMed
TargetCytochrome P450 2C9(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM28986(N-{4-[(4-chlorobenzene)sulfonyl]-4-(2,5-difluoroph...)
Affinity DataIC50: 300nMAssay Description:Inhibition of CYP2C9 (unknown origin) co-incubated with substrate and proteinMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 2C9(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM28986(N-{4-[(4-chlorobenzene)sulfonyl]-4-(2,5-difluoroph...)
Affinity DataIC50: 300nMAssay Description:Inhibition of CYP2C9 (unknown origin) preincubated with protein for 30 mins followed by substrate additionMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 3A4(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM28986(N-{4-[(4-chlorobenzene)sulfonyl]-4-(2,5-difluoroph...)
Affinity DataIC50: 1.66E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin) co-incubated with substrate and proteinMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM28986(N-{4-[(4-chlorobenzene)sulfonyl]-4-(2,5-difluoroph...)
Affinity DataIC50: 14nMAssay 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 Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM28986(N-{4-[(4-chlorobenzene)sulfonyl]-4-(2,5-difluoroph...)
Affinity DataIC50: 15nMAssay 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 DepthDetails Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM28986(N-{4-[(4-chlorobenzene)sulfonyl]-4-(2,5-difluoroph...)
Affinity DataIC50: 5nMAssay 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 DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetPresenilin-1(Human)
Centre Hospitalier Universitaire Vaudois (Chuv)

Curated by ChEMBL
LigandPNGBDBM28986(N-{4-[(4-chlorobenzene)sulfonyl]-4-(2,5-difluoroph...)
Affinity DataIC50: 65nMAssay Description:Inhibition of gamma secretase in HEK293 cells expressing APP assessed as reduction in amyloid beta levelsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)