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 OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl

InChI Key InChIKey=DCOPUUMXTXDBNB-UHFFFAOYSA-N

Data  12 KI  78 IC50  3 Kd  3 EC50  1 ITC

PDB links: 20 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 96 hits for monomerid = 13066   

TargetFatty acid-binding protein, liver(Rattus norvegicus (Rat))
Monash University (Parkville Campus)

Curated by ChEMBL
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Affinity DataKi:  3.22E+3nMAssay Description:Displacement of 1-anilinonaphthalene-8-sulphonic acid from rat recombinant L-FABP high binding affinity site expressed in Escherichia coli BL21 by co...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCalcium/calmodulin-dependent protein kinase type II subunit alpha(Rattus norvegicus (rat))
University Of Copenhagen

Curated by ChEMBL
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Affinity DataKi:  5.10E+3nMAssay Description:Displacement of [3H]NCS-382 from CaMK2alpha in rat brain cerebral cortex membrane homogenates assessed as inhibition constant measured after 60 mins ...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetUDP-glucuronosyltransferase 1A9(Homo sapiens (Human))
The University Of British Columbia

Curated by ChEMBL
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Affinity DataKi:  1.10E+4nMAssay Description:Inhibition of 4-methylumbelliferone glucuronidation by human recombinant UGT1A9More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetUDP-glucuronosyltransferase 1A7(Homo sapiens (Human))
The University Of British Columbia

Curated by ChEMBL
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Affinity DataKi:  1.90E+4nMAssay Description:Inhibition of 4-methylumbelliferone glucuronidation by human recombinant UGT1A7More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetUDP-glucuronosyltransferase 1-6(Homo sapiens (Human))
The University Of British Columbia

Curated by ChEMBL
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Affinity DataKi:  2.30E+4nMAssay Description:Inhibition of 4-methylumbelliferone glucuronidation by human recombinant UGT1A6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetUDP-glucuronosyltransferase 1A10(Homo sapiens (Human))
The University Of British Columbia

Curated by ChEMBL
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Affinity DataKi:  2.80E+4nMAssay Description:Inhibition of 4-methylumbelliferone glucuronidation by human recombinant UGT1A10More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetFatty acid-binding protein, liver(Rattus norvegicus (Rat))
Monash University (Parkville Campus)

Curated by ChEMBL
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Affinity DataKi:  3.54E+4nMAssay Description:Displacement of 1-anilinonaphthalene-8-sulphonic acid from rat recombinant L-FABP low binding affinity site expressed in Escherichia coli BL21 by com...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetUDP-glucuronosyltransferase 1A1(Homo sapiens (Human))
The University Of British Columbia

Curated by ChEMBL
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Affinity DataKi:  5.20E+4nMAssay Description:Inhibition of 4-methylumbelliferone glucuronidation by human recombinant UGT1A1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetFatty acid-binding protein, intestinal(Homo sapiens (Human))
Monash University

LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Affinity DataKi:  8.63E+4nM ΔG°:  -10.5kcal/moleT: 2°CAssay Description:Briefly, steady-state fluorescence spectra of ANS binding was monitored by measuring the increase in fluorescence signal between 450?550 nm following...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
University Of Tennessee

Curated by ChEMBL
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Affinity DataKi:  1.60E+5nMAssay Description:Inhibition of human DHFR in presence of DHF and NADPH by UV-vis spectrometry by Lineweaver-Burk plot analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlbumin(Homo sapiens (Human))
Molecular Discovery

Curated by ChEMBL
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Affinity DataKi:  3.31E+5nMAssay Description:Binding affinity towards human serum albuminMore data for this Ligand-Target Pair
TargetCytochrome P450 3A4(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Affinity DataKi:  1.64E+6nMAssay Description:Mechanism based inhibition of human cytochrome P450 3A4 measured by testosterone 6-beta hydroxylationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetProstaglandin G/H synthase 2(Mus musculus (Mouse))
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
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
TargetProstaglandin G/H synthase 1(Ovis aries (Sheep))
Alexandria University

Curated by ChEMBL
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Affinity DataIC50:  3.90E+3nMAssay Description:Inhibition of ovine COX -1 by colorimetric inhibitor screening assay kit methodMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Ovis aries (Sheep))
Alexandria University

Curated by ChEMBL
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
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(Homo sapiens (Human))
University Of Hull

Curated by ChEMBL
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
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
In DepthDetails ArticlePubMed
TargetTransient receptor potential cation channel subfamily A member 1(Homo sapiens (Human))
University Of Hull

Curated by ChEMBL
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
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
In DepthDetails ArticlePubMed
TargetTransient receptor potential cation channel subfamily A member 1(Homo sapiens (Human))
University Of Hull

Curated by ChEMBL
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
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
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Pusan National University

Curated by ChEMBL
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
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
TargetProstaglandin G/H synthase 1(Ovis aries (Sheep))
Alexandria University

Curated by ChEMBL
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
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
TargetProstaglandin G/H synthase 1(Ovis aries (Sheep))
Alexandria University

Curated by ChEMBL
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
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
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Pusan National University

Curated by ChEMBL
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
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
TargetProstaglandin G/H synthase 1(Ovis aries (Sheep))
Alexandria University

Curated by ChEMBL
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
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
TargetCytochrome c oxidase subunit 2(Homo sapiens (Human))
University Of Malakand

Curated by ChEMBL
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
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
In DepthDetails ArticlePubMed
TargetTransthyretin(Homo sapiens (Human))
University Of Toyama

Curated by ChEMBL
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
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
TargetTransthyretin(Homo sapiens (Human))
University Of Toyama

Curated by ChEMBL
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
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
TargetProstaglandin G/H synthase 1(Ovis aries (Sheep))
Alexandria University

Curated by ChEMBL
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
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
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Pusan National University

Curated by ChEMBL
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
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
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
King Faisal University

US Patent
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
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
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
King Faisal University

US Patent
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
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
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
King Faisal University

US Patent
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
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
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
King Faisal University

US Patent
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
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
TargetCarbonic anhydrase 1(Homo sapiens (Human))
University Of Marburg

LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
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
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
University Of Marburg

LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
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
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 4(Bos taurus (bovine))
University Of Marburg

LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
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
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 9(Homo sapiens (Human))
University Of Marburg

LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
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
In DepthDetails ArticlePubMed
TargetUDP-glucuronosyltransferase 1A4(Homo sapiens (Human))
Guangzhou Institutes Of Biomedicine And Health, Chinese Academy Of Sciences

LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Affinity DataIC50:  1.92E+5nMAssay Description:Refer to Fisher et al., Drug Metab. Dispos., 28:560-566.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetUDP-glucuronosyltransferase 1-6(Homo sapiens (Human))
The University Of British Columbia

Curated by ChEMBL
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Affinity DataIC50:  4.60E+4nMAssay Description:Refer to Fisher et al., Drug Metab. Dispos., 28:560-566.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetUDP-glucuronosyltransferase 1A1(Homo sapiens (Human))
The University Of British Columbia

Curated by ChEMBL
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Affinity DataIC50:  1.55E+5nMAssay Description:Refer to Fisher et al., Drug Metab. Dispos., 28:560-566.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 1(Ovis aries (Sheep))
Alexandria University

Curated by ChEMBL
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Affinity DataIC50:  180nMAssay Description:Inhibition of ovine COX1 after 2 mins by EIAMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Pusan National University

Curated by ChEMBL
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Affinity DataIC50:  2.70E+3nMAssay Description:Inhibition of human recombinant COX2 after 2 mins by EIAMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Ovis aries (Sheep))
Alexandria University

Curated by ChEMBL
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Affinity DataIC50:  6.25E+3nMAssay Description:Inhibition of ovine COX1 peroxidase activity assessed as reduction of PGG2 to PGH2 by measuring oxidized TMPD level by colorimetric assayMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Ovis aries (Sheep))
Alexandria University

Curated by ChEMBL
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Affinity DataIC50:  1.50E+4nMAssay Description:Inhibition of ovine COX2 peroxidase activity assessed as reduction of PGG2 to PGH2 by measuring oxidized TMPD level by colorimetric assayMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
King Faisal University

US Patent
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Affinity DataIC50:  70nMAssay Description:Inhibition of COX1More data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
King Faisal University

US Patent
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Affinity DataIC50:  12nMAssay Description:Inhibition of human COX1-mediated conversion of arachidonic acid to prostaglandin-E2More data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
King Faisal University

US Patent
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Affinity DataIC50:  30nMAssay Description:Inhibition of human COX1 expressed in sf9 cellsMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
King Faisal University

US Patent
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Affinity DataIC50:  12nMAssay Description:Inhibition of cyclooxygenase 1More data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
King Faisal University

US Patent
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Affinity DataIC50:  12nMAssay Description:Inhibition of COX1 assessed as inhibition of arachidonic acid conversion to prostaglandin-E2 releaseMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Ovis aries (Sheep))
Alexandria University

Curated by ChEMBL
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Affinity DataIC50:  320nMAssay Description:Inhibition of purified ovine COX1 pre-treated for 1 hr before 10-acetyl-3,7-dihydroxyphenoxazin substrate addition in absence of porcine liver estera...More data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Pusan National University

Curated by ChEMBL
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Affinity DataIC50:  1.69E+4nMAssay Description:Inhibition of human recombinant COX2 pre-treated for 1 hr before 10-acetyl-3,7-dihydroxyphenoxazin substrate addition in absence of porcine liver est...More data for this Ligand-Target Pair
Displayed 1 to 50 (of 96 total ) | Next | Last >>

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 13066   

CellTransthyretin(Homo sapiens (Human))
Leland Stanford Junior University

US Patent
SyringePNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
ITC DataΔG°: -8.79kcal/mole −TΔS°: -4.09kcal/mole ΔH°: -4.68kcal/mole logk: 2.80E+6
pH: 7.5 T: 25.00°C