BDBM13066 2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid::CHEMBL139::Diclofenac::US11337935, Compound Diclofenac::US11478464, Compound Diclofenac::US11786535, Compound Diclofenac::{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid
SMILES c1ccc(c(c1)CC(=O)O)Nc2c(cccc2Cl)Cl
InChI Key InChIKey=DCOPUUMXTXDBNB-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 107 hits for monomerid = 13066
Affinity DataIC50: 1.00E+5nMpH: 7.4 T: 2°CAssay Description:Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...More data for this Ligand-Target Pair
Affinity DataIC50: 1.00E+5nMpH: 7.4 T: 2°CAssay Description:Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...More data for this Ligand-Target Pair
Affinity DataIC50: 1.00E+5nMpH: 7.4 T: 2°CAssay Description:Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...More data for this Ligand-Target Pair
Affinity DataIC50: 1.00E+5nMpH: 7.5 T: 2°CAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair
TargetUDP-glucuronosyltransferase 1A1(Human)
Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences
Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences
Affinity DataIC50: 1.55E+5nMAssay Description:Refer to Fisher et al., Drug Metab. Dispos., 28:560-566.More data for this Ligand-Target Pair
TargetUDP-glucuronosyltransferase 1A4(Human)
Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences
Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences
Affinity DataIC50: 1.92E+5nMAssay Description:Refer to Fisher et al., Drug Metab. Dispos., 28:560-566.More data for this Ligand-Target Pair
TargetUDP-glucuronosyltransferase 1-6(Human)
Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences
Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences
Affinity DataIC50: 4.60E+4nMAssay Description:Refer to Fisher et al., Drug Metab. Dispos., 28:560-566.More data for this Ligand-Target Pair
Affinity DataIC50: 3.74E+3nMAssay Description:Table 3: The FP assay was then adapted for HTS and used to screen 120,000 small molecule library for compounds that displaced probe 5 from the T4 bin...More data for this Ligand-Target Pair
Affinity DataIC50: 50nMAssay Description:The inhibitory effects of candidate compounds on COX-1 and COX-2 were determined using COX inhibitor screening test kits, testing each compound's...More data for this Ligand-Target Pair
Affinity DataIC50: 20nMAssay Description:The inhibitory effects of candidate compounds on COX-1 and COX-2 were determined using COX inhibitor screening test kits, testing each compound's...More data for this Ligand-Target Pair
Affinity DataIC50: 50nMAssay Description:The inhibitory effects of candidate compounds on COX-1 and COX-2 were determined using COX inhibitor screening test kits, testing each compound's...More data for this Ligand-Target Pair
Affinity DataIC50: 20nMAssay Description:The inhibitory effects of candidate compounds on COX-1 and COX-2 were determined using COX inhibitor screening test kits, testing each compound's...More data for this Ligand-Target Pair
Affinity DataIC50: 6.50E+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: 50nMAssay Description:Non noncompetitive inhibition of human COX-2 preincubated for 5 mins followed by arachidonic acid substrate addition by Lineweaver-Burk plot analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 150nMAssay Description:Inhibition of ovine COX-1 preincubated for 5 mins followed by arachidonic acid substrate addition by colorimetric enzyme immunoassayMore data for this Ligand-Target Pair
Affinity DataIC50: 1.82E+4nMAssay Description:Inhibition of COX1 in human platelet microsomes assessed as reduction in formation of oxidized TMPD using arachidonic acid as substrate preincubated ...More data for this Ligand-Target Pair
Affinity DataIC50: 2.36E+4nMAssay Description:Inhibition of human COX2 expressed in baculovirus infected sf21 cells assessed as reduction in formation of oxidized TMPD using arachidonic acid as s...More data for this Ligand-Target Pair
Affinity DataIC50: 100nMAssay Description:Inhibition of purified mouse COX-2 assessed as inhibition of PGE2/PGD2 formation preincubated for 15 mins before arachidonic acid substrate addition ...More data for this Ligand-Target Pair
Affinity DataIC50: 30nMAssay Description:Inhibition of purified mouse COX-2 assessed as inhibition of PGE2-G/PGD2-G formation preincubated for 15 mins before 2-AG substrate addition measured...More data for this Ligand-Target Pair
Affinity DataIC50: 70nMAssay Description:Inhibition of ovine COX1 using arachidonic acid as substrate incubated for 10 mins prior to substrate addition measured after 2 mins by spectrophotom...More data for this Ligand-Target Pair
Affinity DataIC50: 20nMAssay Description:Inhibition of human recombinant COX2 using arachidonic acid as substrate incubated for 10 mins prior to substrate addition measured after 2 mins by s...More data for this Ligand-Target Pair
Affinity DataIC50: 3.90E+3nMAssay Description:Inhibition of ovine COX -1 by colorimetric inhibitor screening assay kit methodMore data for this Ligand-Target Pair
Affinity DataIC50: 800nMAssay Description:Inhibition of ovine COX -2 by colorimetric inhibitor screening assay kit methodMore data for this Ligand-Target Pair
TargetTransient receptor potential cation channel subfamily A member 1(Human)
University of Hull
Curated by ChEMBL
University of Hull
Curated by ChEMBL
Affinity DataEC50: 6.30E+4nMAssay Description:Agonist activity at human TRPA1 expressed in HEK293 cells assessed as increase in calcium influx by Fluo-4-AM dye based fluorescence assayMore data for this Ligand-Target Pair
TargetTransient receptor potential cation channel subfamily A member 1(Human)
University of Hull
Curated by ChEMBL
University of Hull
Curated by ChEMBL
Affinity DataEC50: 2.10E+5nMAssay Description:Agonist activity at human TRPA1 in WI38 cells assessed as increase in calcium influx by Fluo-4-AM dye based fluorescence assayMore data for this Ligand-Target Pair
TargetTransient receptor potential cation channel subfamily A member 1(Human)
University of Hull
Curated by ChEMBL
University of Hull
Curated by ChEMBL
Affinity DataEC50: 6.31E+4nMAssay Description:Agonist activity at human TRPA1 expressed in HEK293 cells assessed as increase in calcium influx by Fluo-4-AM dye based fluorescence assayMore data for this Ligand-Target Pair
Affinity DataIC50: 1.24E+3nMAssay Description:Inhibition of recombinant human COX2 using arachidonic acid as substrate pretreated for 5 mins followed by substrate addition and measured after 2 mi...More data for this Ligand-Target Pair
Affinity DataIC50: 1.88E+4nMAssay Description:Inhibition of ovine COX1 using arachidonic acid as substrate pretreated for 5 mins followed by substrate addition and measured after 2 mins by fluore...More data for this Ligand-Target Pair
Affinity DataIC50: 70nMAssay Description:Inhibition of ovine COX1 using arachidonic acid as substrate incubated for 10 mins followed by substrate addition and measured after 2 mins by EIA as...More data for this Ligand-Target Pair
Affinity DataIC50: 20nMAssay Description:Inhibition of human COX2 using arachidonic acid as substrate incubated for 10 mins followed by substrate addition and measured after 2 mins by EIA as...More data for this Ligand-Target Pair
Affinity DataKd: 60nMAssay Description:Binding affinity to wild type TTR (unknown origin) expressed in Escherichia coli BL21/DE3 by Circular dichroism spectroscopyMore data for this Ligand-Target Pair
Affinity DataIC50: 480nMAssay Description:Inhibition of sheep COX1 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition and measured after 5 mins by UV-v...More data for this Ligand-Target Pair
Affinity DataIC50: 1.01E+4nMAssay Description:Inhibition of recombinant human COX2 expressed in baculovirus infected Sf21 cells using arachidonic acid as substrate preincubated for 5 mins followe...More data for this Ligand-Target Pair
Affinity DataIC50: 70nMAssay Description:Inhibition of ovine COX-1 using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition and measured after 2 mins by EI...More data for this Ligand-Target Pair
Affinity DataIC50: 20nMAssay Description:Inhibition of human COX-2 using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition and measured after 2 mins by EI...More data for this Ligand-Target Pair
Affinity DataIC50: 5nMAssay Description:Inhibitory concentration against COX-2 upon incubation for 15 minutes at 37 degree CMore data for this Ligand-Target Pair
Affinity DataIC50: 26nMAssay Description:Inhibitory concentration against COX-2; (valus obtained by Kato et al.)More data for this Ligand-Target Pair
Affinity DataIC50: 840nMAssay Description:Inhibition of ovine COX-1 by EIA methodMore data for this Ligand-Target Pair
Affinity DataIC50: 1.10E+3nMAssay Description:Inhibition of COX-2 (unknown origin) at 10 uMMore data for this Ligand-Target Pair
Affinity DataIC50: 6.74E+3nMAssay Description:Inhibition of COX-1 (unknown origin) at 10 uMMore data for this Ligand-Target Pair
Affinity DataIC50: 5.23E+3nMAssay Description:Inhibition of ovine COX-1 using arachidonic acid as substrate preincubated with compound for 5 mins followed by substrate addition and measured after...More data for this Ligand-Target Pair
Affinity DataIC50: 1.73E+3nMAssay Description:Inhibition of recombinant human COX-2 using arachidonic acid as substrate preincubated with compound for 5 mins followed by substrate addition and me...More data for this Ligand-Target Pair
Affinity DataIC50: 77nMAssay Description:Inhibition of mouse wild type COX2More data for this Ligand-Target Pair
Affinity DataIC50: 820nMAssay Description:Inhibition of COX-2 (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: 3.88E+3nMAssay Description:Inhibition of COX-2 (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: 3.88E+3nMAssay Description:Inhibition of sheep COX-1More data for this Ligand-Target Pair
Affinity DataIC50: 820nMAssay Description:Inhibition of recombinant human COX-2More data for this Ligand-Target Pair
Activity Spreadsheet -- ITC Data from BindingDB
Found 1 hit for monomerid = 13066
ITC DataΔG°: -8.79kcal/mole −TΔS°: -4.09kcal/mole ΔH°: -4.68kcal/mole logk: 2.80E+6
pH: 7.5 T: 25.00°C
pH: 7.5 T: 25.00°C

3D Structure (crystal)