BDBM13061 4,4 -(1H-1,2,4-triazol-1-ylmethanediyl)dibenzonitrile::4-[(4-cyanophenyl)(1H-1,2,4-triazol-1-yl)methyl]benzonitrile::CHEMBL1444::Letrozole
SMILES N#Cc1ccc(cc1)C(c1ccc(cc1)C#N)n1cncn1
InChI Key InChIKey=HPJKCIUCZWXJDR-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 43 hits for monomerid = 13061
Affinity DataKi: 0.0200nMAssay Description:Competitive inhibition of human aromatase using dibenzylfluorescein substrate after 10 mins preincubation measured every 10 sec for 5 mins by Michael...More data for this Ligand-Target Pair
Affinity DataKi: 2.20nMAssay Description:Inhibition of human aromatase-mediated conversion of [1beta3H]androstenedione to estrone by Lineweaver-Burk plot in presence of NADPHMore data for this Ligand-Target Pair
Affinity DataIC50: 18nMAssay Description:The inhibitory activities of the compounds toward aromatase were determined in vitro using human placental microsomes and [1,2,6,7-3H]-androstenedion...More data for this Ligand-Target Pair
Affinity DataIC50: 2.80nMpH: 7.5 T: 2°CAssay Description:This fluorescence-based assay measures the rate at which recombinant
human aromatase (baculovirus/insect cell-expressed) converts the
substrate 7-m...More data for this Ligand-Target Pair
Affinity DataIC50: 2nMAssay Description:Inhibition of human aromatase using dibenzylfluorescein substrate preincubated for 30 mins measured after 30 mins by fluorescence assayMore data for this Ligand-Target Pair
Affinity DataIC50: 5.30nMAssay Description:Inhibition of human recombinant aromatase using 7-methoxy-trifluoromethylcoumarin as substrate assessed as formation of fluorescent metabolite after ...More data for this Ligand-Target Pair
Affinity DataIC50: 3.30nMAssay Description:Inhibition of CYP19 (unknown origin) using O-benzyl fluorescein benzyl ester substrate preincubated for 10 mins by fluorimetric analysis relative to ...More data for this Ligand-Target Pair
Affinity DataIC50: 0.890nMAssay Description:Inhibition of aromatase (unknown origin) expressed in JEG-3 cellsMore data for this Ligand-Target Pair
Affinity DataIC50: 11.5nMAssay Description:Inhibition of aromatase in human placental microsomesMore data for this Ligand-Target Pair
Affinity DataIC50: 6.10nMAssay Description:Inhibition of human aromatase-mediated conversion of [1beta3H]androstenedione to estrone by liquid scintillation counting in presence of NADPHMore data for this Ligand-Target Pair
Affinity DataIC50: 4nMAssay Description:Inhibition of recombinant human aromatase using 7-methoxy-4-trifluoromethyl coumarin as substrate measured at anoxic conditions by fluorescence analy...More data for this Ligand-Target Pair
Affinity DataIC50: 18nMAssay Description:Inhibition of aromatase in human placental microsomes assessed as inhibition of aromatization of [1,2,6,7-3H] androstenedione by flow scintillation a...More data for this Ligand-Target Pair
Affinity DataIC50: 4.20nMAssay Description:Inhibition of human recombinant aromatase using 7-methoxy-4-trifluoromethyl coumarin as substrate by fluorimetric analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 8nMAssay Description:Inhibition of aromatase using 7-methoxy-4-trifluoromethyl coumarin as substrate after 30 mins by fluorescence-based colorimetric analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 1nMAssay Description:Inhibition of human aromatase coexpressed with P450 reductase by fluorimetryMore data for this Ligand-Target Pair
Affinity DataIC50: 5.30nMAssay Description:Inhibition of recombinant human CYP19 expressed in baculovirus infected insect cells using MFC as substrate measured after 30 mins by fluorometric an...More data for this Ligand-Target Pair
Affinity DataIC50: 3.40nMAssay Description:Inhibition of aromatase (unknown origin) using 7-methoxy-4-trifluoromethylcoumarin as substrate after 30 mins by fluorimetric analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 2.80nMAssay Description:Inhibition of human recombinant aromatase expressed in baculovirus-infected cell system using 7-methoxy-trifluoromethylcoumarin as substrate after 30...More data for this Ligand-Target Pair
Affinity DataIC50: 36nMAssay Description:Inhibition of human CYP19 using [1beta-3H]androstenedione as substrate by 3H2O methodMore data for this Ligand-Target Pair
TargetCytochrome P450 11B2, mitochondrial(Homo sapiens (Human))
Saarland University & Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)
Curated by ChEMBL
Saarland University & Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)
Curated by ChEMBL
Affinity DataIC50: 1.42E+3nMAssay Description:Inhibition of human CYP11B2 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxy-corticosterone as substrateMore data for this Ligand-Target Pair
TargetCytochrome P450 11B1, mitochondrial(Homo sapiens (Human))
Saarland University & Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)
Curated by ChEMBL
Saarland University & Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)
Curated by ChEMBL
Affinity DataIC50: 2.62E+3nMAssay Description:Inhibition of human CYP11B1 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxy-corticosterone as substrateMore data for this Ligand-Target Pair
Affinity DataIC50: 17nMAssay Description:Inhibition of human placental microsome aromatase after 30 mins by ELISAMore data for this Ligand-Target Pair
Affinity DataIC50: 11.5nMAssay Description:Inhibition of human placental microsome CYP19More data for this Ligand-Target Pair
Affinity DataIC50: 0.890nMAssay Description:Inhibition of aromatse in human JEG3 cells by scintillation spectrometryMore data for this Ligand-Target Pair
Affinity DataIC50: 9.90nMAssay Description:Inhibition of human placental aromatase using [3H]-1beta-androstenedione as substrate after 16 hrs by [3H]-water methodMore data for this Ligand-Target Pair
Affinity DataIC50: 2.95E+4nMAssay Description:Inhibition of aromatase activity in human T47D cells after 24 hrsMore data for this Ligand-Target Pair
Affinity DataIC50: 2.25E+5nMAssay Description:Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...More data for this Ligand-Target Pair
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...More data for this Ligand-Target Pair
Affinity DataIC50: 2.95E+4nMAssay Description:Inhibition of aromatase activity in human T47D cells after 24 hrsMore data for this Ligand-Target Pair
Affinity DataIC50: 50nMAssay Description:Inhibition of human aromatase using androstenedione as substrate and NADPH preincubated for 24 hrs followed by substrate addition measured after 24 h...More data for this Ligand-Target Pair
Affinity DataIC50: 1.90nMAssay Description:Inhibition of aromatase (unknown origin) using O-benzyl fluorescein benzyl ester as substrate in presence of NADPH-generating system by fluorescence ...More data for this Ligand-Target Pair
Affinity DataIC50: 10nMAssay Description:Inhibition of CYP19A1 (unknown origin) preincubated with NADPH followed by DBF substrate addition after 30 mins by fluorescence based assayMore data for this Ligand-Target Pair
Affinity DataIC50: 1.90nMAssay Description:Inhibition of aromatase in human MCF-7aro cells using [1beta-3H] androstenedione as substrate incubated for 1 hr by liquid scintillation counting met...More data for this Ligand-Target Pair
Affinity DataIC50: 2.20nMAssay Description:Inhibition of recombinant human aromatase using 7-methoxy-trifluoromethylcoumarin as substrate incubated for 30 mins by fluorescence microplate reade...More data for this Ligand-Target Pair
Affinity DataIC50: 2.20nMAssay Description:Inhibition of recombinant human aromatase using 7-methoxy-trifluoromethylcoumarin as substrate incubated for 30 mins by fluorescence microplate reade...More data for this Ligand-Target Pair
Affinity DataIC50: 1.90nMAssay Description:Inhibition of recombinant human aromatase expressed in baculovirus infected insect cells using O-benzyl fluorescein benzyl ester as substrate in pres...More data for this Ligand-Target Pair
Affinity DataIC50: 10nMAssay Description:Inhibition of recombinant human aromatase preincubated for 10 mins followed by substrate and beta-NADP+ addition and measured for 60 mins by fluoresc...More data for this Ligand-Target Pair
Affinity DataIC50: 10nMAssay Description:Inhibition of human aromatase using ASD as substrate incubated for 16 hrs by UV/vis-spectrophotometryMore data for this Ligand-Target Pair
Affinity DataIC50: 1nMAssay Description:Inhibition of aromatase (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: 4nMAssay Description:Inhibition of human aromatase assessed as reduction in fluorescence intensity preincubated with NADPH regenerating system for 10 mins followed by sub...More data for this Ligand-Target Pair
TargetEstrogen receptor(Homo sapiens (Human))
Alma Mater Studiorum-University of Bologna
Curated by ChEMBL
Alma Mater Studiorum-University of Bologna
Curated by ChEMBL
Affinity DataIC50: 1.00E+4nMAssay Description:Binding affinity to human ERalpha measured after 2 hrs by fluorescence polarization plate readerMore data for this Ligand-Target Pair
Affinity DataIC50: 1.00E+3nMpH: 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
Affinity DataIC50: 0.890nMpH: 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