BDBM50108877 (3,4-Dihydroxy-5-nitro-phenyl)-p-tolyl-methanone::(3,4-dihydroxy-5-nitrophenyl)(p-tolyl)methanone::CHEMBL1324::Ro-40-7592::TOLCAPONE::Talcapone::Tasmar
SMILES Cc1ccc(cc1)C(=O)c1cc(O)c(O)c(c1)[N+]([O-])=O
InChI Key InChIKey=MIQPIUSUKVNLNT-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 40 hits for monomerid = 50108877
Affinity DataIC50: 640nMAssay Description:Inhibition of Dengue Virus 2 recombinant NS2B-NS3 protease expressed in Escherichia coli using Bz-Nle-Arg-Arg-AMC as substrate incubated for 30 minsMore data for this Ligand-Target Pair
Affinity DataIC50: 1nMAssay Description:Inhibition of human MB-COMT expressed in HEK293 cells using dopamine as substrate and SAM as cofactor preincubated for 30 mins followed by substrate ...More data for this Ligand-Target Pair
Affinity DataEC50: 7.10E+3nMAssay Description:Inhibition of NS2B-NS3 protease in DENV2proHeLa system assessed as inhibition of luciferase signal incubated for 24 hrs by luciferase reporter gene a...More data for this Ligand-Target Pair
Affinity DataKd: 980nMAssay Description:Binding affinity to TTR V3OM mutant (unknown origin) expressed in Escherichia coli incubated for 60 mins by tryptophan intrinsic fluorescence methodMore data for this Ligand-Target Pair
3D Structure (crystal)Affinity DataIC50: 3.20E+3nMAssay Description:Stabilization of TTR V3OM mutant (unknown origin) assessed as acid-mediated protein aggregation inhibition ratio incubated for 1 week by absorbance m...More data for this Ligand-Target Pair
Affinity DataIC50: 3.00E+4nMAssay Description:Stabilization of wild type TTR (unknown origin) expressed in Escherichia coli assessed as reduction in methanol-induced aggregation incubated for 60 ...More data for this Ligand-Target Pair
Affinity DataKd: 95nMAssay Description:Binding affinity to TTR V30M mutant (unknown origin) by isothermal titration calorimetryMore data for this Ligand-Target Pair
Affinity DataKd: 34nMAssay Description:Binding affinity to wild type TTR (unknown origin) assessed as dissociation constant by ITC assayMore data for this Ligand-Target Pair
Affinity DataKd: 34nMAssay Description:Binding affinity to wild type TTR (unknown origin) assessed as gibbs free energy change by ITC analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 640nMAssay Description:Inhibition of Dengue Virus 1 recombinant NS2B-NS3 protease expressed in Escherichia coli using Bz-Nle-Arg-Arg-AMC as substrate incubated for 30 minsMore data for this Ligand-Target Pair
Affinity DataIC50: 0.912nMAssay Description:Inhibition of MB-COMT in Wistar rat brain assessed as metanephrine formation preincubated for 20 mins followed by addition of adrenaline as substrate...More data for this Ligand-Target Pair
Affinity DataIC50: 640nMAssay Description:Inhibition of Dengue Virus 3 recombinant NS2B-NS3 protease expressed in Escherichia coli using Bz-Nle-Arg-Arg-AMC as substrate incubated for 30 minsMore data for this Ligand-Target Pair
Affinity DataIC50: 640nMAssay Description:Inhibition of Dengue Virus 4 recombinant NS2B-NS3 protease expressed in Escherichia coli using Bz-Nle-Arg-Arg-AMC as substrate incubated for 30 minsMore data for this Ligand-Target Pair
Affinity DataIC50: 700nMAssay Description:Inhibition of West Nile virus NS2B-NS3 protease expressed in Escherichia coli using Bz-Nle-Lys-Arg-Arg-AMC as substrate assessed as proteolytic activ...More data for this Ligand-Target Pair
Affinity DataIC50: 53nMAssay Description:Inhibition of S-COMT in rat liver homogenates using adrenaline as substrate and SAM as cofactor preincubated for 20 mins followed by substrate additi...More data for this Ligand-Target Pair
Affinity DataIC50: 17nMAssay Description:Inhibition of MB-COMT in rat liver homogenates using adrenaline as substrate and SAM as cofactor preincubated for 20 mins followed by substrate addit...More data for this Ligand-Target Pair
Affinity DataIC50: 3nMAssay Description:Inhibition of MB-COMT in rat brain homogenates using adrenaline as substrate and SAM as cofactor preincubated for 20 mins followed by substrate addit...More data for this Ligand-Target Pair
Affinity DataKd: 48nMAssay Description:Binding affinity to wild-type TTR (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as dissociation constant by ITC analysisMore data for this Ligand-Target Pair
Affinity DataKd: 440nMAssay Description:Binding affinity to TTR V30M mutant (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as dissociation constant by ITC analysisMore data for this Ligand-Target Pair
Affinity DataKd: 50nMAssay Description:Binding affinity to TTR V122I mutant (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as dissociation constant by ITC analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 3.39E+4nMAssay 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: 2.20nMAssay Description:Inhibition of Catechol O-methyltransferase activity in rat brainMore data for this Ligand-Target Pair
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of human KLF10 expressed in human HeLa cells assessed as reduction in transcriptional activity after 24 hrs by CACCC-responsive promoter d...More data for this Ligand-Target Pair
Affinity DataIC50: 2.20E+3nMAssay Description:Inhibitory activity against COMT in rat brainMore data for this Ligand-Target Pair
Affinity DataIC50: 930nMAssay Description:Inhibitory activity against COMT in rat liverMore data for this Ligand-Target Pair
Affinity DataIC50: 4.72E+4nMAssay Description:Inhibition of Sprague-Dawley rat Bsep expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate up...More data for this Ligand-Target Pair
Affinity DataIC50: 1.20E+5nMAssay Description:Inhibition of human BSEP expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate uptakeMore data for this Ligand-Target Pair
Affinity DataIC50: 2.20nMAssay Description:Inhibition of rat COMTMore data for this Ligand-Target Pair
Affinity DataIC50: 127nMAssay Description:Inhibition of human recombinant His-tagged soluble COMT expressed in Escherichia coli BL21 using aesculetin as substrate after 60 mins by microplate ...More data for this Ligand-Target Pair
Affinity DataIC50: 3.45E+4nMAssay Description:Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t...More data for this Ligand-Target Pair
Affinity DataIC50: 9.27E+5nMAssay Description:Inhibition of Catechol O-methyltransferase activity in rat liverMore data for this Ligand-Target Pair
Affinity DataIC50: 8.50E+4nMAssay Description:Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...More data for this Ligand-Target Pair
Affinity DataIC50: 3.66E+4nMAssay 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: 1.67E+4nMAssay Description:Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
Affinity DataIC50: 1nMAssay Description:Inhibition of c-terminal hexa-His tagged human MB-COMT (unknown origin)More data for this Ligand-Target Pair
Affinity DataKd: 21nMAssay Description:Binding affinity to transthyretin (unknown origin) by ITC methodMore data for this Ligand-Target Pair
Affinity DataKd: 56nMAssay Description:Binding affinity to transthyretin V122I mutant (unknown origin) by ITC methodMore data for this Ligand-Target Pair
Affinity DataIC50: 640nMAssay Description:Inhibition of DENV2 NS2B-NS3 serine protease expressed using Benzoyl-Nle-Lys-Arg-Arg-AMC as substrate measured preincubated for 3 mins followed by su...More data for this Ligand-Target Pair
Affinity DataIC50: 0.910nMAssay Description:Inhibition of MB-COMT in Wistar rat brain assessed as metanephrine formation preincubated for 20 mins followed by addition of adrenaline as substrate...More data for this Ligand-Target Pair
Affinity DataIC50: 31nMAssay Description:Inhibition of S-COMT in Wistar rat liver assessed as metanephrine formation preincubated for 20 mins followed by addition of adrenaline as substrate ...More data for this Ligand-Target Pair