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-MVBJNABHSA-N

Data  8 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 3 hits for monomerid = 50315282   

TargetCytochrome P450 3A4(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50315282(CHEMBL1090209 | N-((6aR,8R,10aS)-10a-(4-chlorophen...)
Affinity DataIC50:  9.60E+3nMAssay 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
LigandPNGBDBM50315282(CHEMBL1090209 | N-((6aR,8R,10aS)-10a-(4-chlorophen...)
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 DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50315282(CHEMBL1090209 | N-((6aR,8R,10aS)-10a-(4-chlorophen...)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP3A4 preincubated for 30 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed