BDBM50315281 CHEMBL1089525::rac-10a-(4-chlorophenylsulfonyl)-1,4-difluoro-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-8-ol

SMILES OC1CCC2(C(COc3c(F)ccc(F)c23)C1)S(=O)(=O)c1ccc(Cl)cc1

InChI Key InChIKey=WTXUIYHQKGABGR-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50315281   

TargetCytochrome P450 3A4(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50315281(rac-10a-(4-chlorophenylsulfonyl)-1,4-difluoro-6a,7...)
Affinity DataIC50: 9.10E+3nMAssay 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