BDBM10018 (4-{[(4-cyanophenyl)(4H-1,2,4-triazol-4-yl)amino]methyl}-2-fluorophenyl) sulfamate::JMC503540 Compound 3::YM511-based dual aromatase-sulfatase inhibitor (DASI) 5::dual aromatase-sulfatase inhibitor 5

SMILES NS(=O)(=O)Oc1ccc(CN(c2ccc(cc2)C#N)n2cnnc2)cc1F

InChI Key InChIKey=OGRKPLYJRPUOMJ-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 10018   

TargetAromatase(Homo sapiens (Human))
University of Bath

LigandPNGBDBM10018((4-{[(4-cyanophenyl)(4H-1,2,4-triazol-4-yl)amino]m...)
Affinity DataIC50:  12nMpH: 7.5 T: 2°CAssay Description:The extent of in vitro inhibition of aromatase activities was assessed using intact monolayers of JEG-3 cells. Aromatase activity was measured using ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSteryl-sulfatase(Homo sapiens (Human))
University of Bath

LigandPNGBDBM10018((4-{[(4-cyanophenyl)(4H-1,2,4-triazol-4-yl)amino]m...)
Affinity DataIC50:  40nMAssay Description:The extent of in vitro inhibition of sulfatase activities was assessed using intact monolayers of JEG-3 cells. Sulfatase activity was measured using ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAromatase(Homo sapiens (Human))
University of Bath

LigandPNGBDBM10018((4-{[(4-cyanophenyl)(4H-1,2,4-triazol-4-yl)amino]m...)
Affinity DataIC50:  12nMpH: 7.5 T: 2°CAssay Description:The extent of in vitro inhibition of aromatase activities was assessed using intact monolayers of JEG-3 cells. Aromatase activity was measured using ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSteryl-sulfatase(Homo sapiens (Human))
University of Bath

LigandPNGBDBM10018((4-{[(4-cyanophenyl)(4H-1,2,4-triazol-4-yl)amino]m...)
Affinity DataIC50:  40nMpH: 7.5 T: 2°CAssay Description:The extent of in vitro inhibition of sulfatase activities was assessed using intact monolayers of JEG-3 cells. Sulfatase activity was measured using ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed