null

SMILES NS(=O)(=O)Oc1ccc(CN(c2ccc(cc2)C#N)n2cnnc2)cc1

InChI Key InChIKey=WEXGHQDVDVWOIU-UHFFFAOYSA-N

PDB links: 1 PDB ID matches this monomer. 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 10017   

TargetAromatase(Homo sapiens (Human))
University of Bath

LigandPNGBDBM10017((4-{[(4-cyanophenyl)(4H-1,2,4-triazol-4-yl)amino]m...)copy SMILEScopy InChI
Affinity DataIC50: 100nMpH: 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 Article
BindingDB Entry DOI: 10.7270/Q2HT2MHGPubMed
TargetSteryl-sulfatase(Homo sapiens (Human))
University of Bath

LigandPNGBDBM10017((4-{[(4-cyanophenyl)(4H-1,2,4-triazol-4-yl)amino]m...)copy SMILEScopy InChI
Affinity DataIC50: 227nMpH: 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 Article
BindingDB Entry DOI: 10.7270/Q2HT2MHGPubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
University of Bath

LigandPNGBDBM10017((4-{[(4-cyanophenyl)(4H-1,2,4-triazol-4-yl)amino]m...)copy SMILEScopy InChI
Affinity DataIC50: 27nMpH: 7.8 T: 2°CAssay Description:The in vitro inhibition of carbonic anhydrase was assessed by a colorimetric assay. Carbonic anhydrase-catalysed hydrolysis of p-nitrophenyl acetate ...More data for this Ligand-Target Pair
TargetAromatase(Homo sapiens (Human))
University of Bath

LigandPNGBDBM10017((4-{[(4-cyanophenyl)(4H-1,2,4-triazol-4-yl)amino]m...)copy SMILEScopy InChI
Affinity DataIC50: 100nMpH: 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 Article
BindingDB Entry DOI: 10.7270/Q2348HP4PubMed
TargetSteryl-sulfatase(Homo sapiens (Human))
University of Bath

LigandPNGBDBM10017((4-{[(4-cyanophenyl)(4H-1,2,4-triazol-4-yl)amino]m...)copy SMILEScopy InChI
Affinity DataIC50: 277nMAssay Description:Inhibition of steroid sulfatase in human JEG-3 cells using [6,7-3H]E1S after 1 hr by scintillation spectrometryMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2X067BNPubMed
TargetSteryl-sulfatase(Homo sapiens (Human))
University of Bath

LigandPNGBDBM10017((4-{[(4-cyanophenyl)(4H-1,2,4-triazol-4-yl)amino]m...)copy SMILEScopy InChI
Affinity DataIC50: 227nMAssay Description:Inhibition of STS activity (unknown origin) expressed in JEG-3 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2474CP9PubMed
TargetAromatase(Homo sapiens (Human))
University of Bath

LigandPNGBDBM10017((4-{[(4-cyanophenyl)(4H-1,2,4-triazol-4-yl)amino]m...)copy SMILEScopy InChI
Affinity DataIC50: 100nMAssay Description:Inhibition of aromatase (unknown origin) expressed in JEG-3 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2474CP9PubMed
TargetAromatase(Homo sapiens (Human))
University of Bath

LigandPNGBDBM10017((4-{[(4-cyanophenyl)(4H-1,2,4-triazol-4-yl)amino]m...)copy SMILEScopy InChI
Affinity DataIC50: 100nMAssay Description:Inhibition of aromatase in human JEG-3 cells using [1beta-3H]androstenedione after 1 hr by scintillation spectrometryMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2X067BNPubMed
TargetSteryl-sulfatase(Homo sapiens (Human))
University of Bath

LigandPNGBDBM10017((4-{[(4-cyanophenyl)(4H-1,2,4-triazol-4-yl)amino]m...)copy SMILEScopy InChI
Affinity DataIC50: 227nMAssay 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 Article
BindingDB Entry DOI: 10.7270/Q2348HP4PubMed