BDBM50315282 CHEMBL1090209::N-((6aR,8R,10aS)-10a-(4-chlorophenylsulfonyl)-1,4-difluoro-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-8-yl)-1,1,1-trifluoromethanesulfonamide::US8569521, 20A(377)

SMILES Fc1ccc(F)c2c1OC[C@H]1C[C@@H](CC[C@@]21S(=O)(=O)c1ccc(Cl)cc1)NS(=O)(=O)C(F)(F)F

InChI Key InChIKey=UCUHPRBZQBMMNA-UHFFFAOYSA-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 = 50315282   

TargetAmyloid-beta precursor protein(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM50315282(US8569521, 20A(377) | CHEMBL1090209 | N-((6aR,8R,1...)
Affinity DataIC50: 27nMAssay Description:Gamma-secretase activity was determined as described by Zhang et al. (Biochemistry, 40(16), 5049-5055, 2001).More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/21/2014
Entry Details
Go to US Patent

TargetCytochrome P450 3A4(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50315282(US8569521, 20A(377) | CHEMBL1090209 | N-((6aR,8R,1...)
Affinity DataIC50: 9.60E+3nMAssay 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
LigandPNGBDBM50315282(US8569521, 20A(377) | CHEMBL1090209 | N-((6aR,8R,1...)
Affinity DataIC50: 3.50E+3nMAssay 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
LigandPNGBDBM50315282(US8569521, 20A(377) | CHEMBL1090209 | N-((6aR,8R,1...)
Affinity DataIC50: 3.00E+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
LigandPNGBDBM50315282(US8569521, 20A(377) | CHEMBL1090209 | N-((6aR,8R,1...)
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 Depth
Date in BDB:
12/16/2016
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50315282(US8569521, 20A(377) | CHEMBL1090209 | N-((6aR,8R,1...)
Affinity DataIC50: 300nMAssay 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
LigandPNGBDBM50315282(US8569521, 20A(377) | CHEMBL1090209 | N-((6aR,8R,1...)
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 Depth
Date in BDB:
12/16/2016
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50315282(US8569521, 20A(377) | CHEMBL1090209 | N-((6aR,8R,1...)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP3A4 preincubated for 30 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/18/2010
Entry Details Article
PubMed