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  83 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
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 83 hits for monomerid = 13066   

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))
Shoolini 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))
Shoolini 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))
Shoolini 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))
K.L.E.U'S College Of Pharmacy

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))
Institute For Chemical Biology And Center In Molecular Toxicology

Curated by ChEMBL
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))
Institute For Chemical Biology And Center In Molecular Toxicology

Curated by ChEMBL
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))
Institute For Chemical Biology And Center In Molecular Toxicology

Curated by ChEMBL
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))
Institute For Chemical Biology And Center In Molecular Toxicology

Curated by ChEMBL
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))
Institute For Chemical Biology And Center In Molecular Toxicology

Curated by ChEMBL
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))
Shoolini 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))
Shoolini 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
TargetAldo-keto reductase family 1 member B1(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of human AR by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldo-keto reductase family 1 member B10(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Affinity DataIC50:  1.90E+3nMAssay Description:Inhibition of wild-type N-terminal 6-His tagged AKR1B10 (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as pyridine-3-aldehyde redu...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 1(Ovis aries (Sheep))
Shoolini University

Curated by ChEMBL
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Affinity DataIC50:  250nMAssay Description:Inhibition of ovine COX1 assessed as inhibition of PGF2alpha production from PGH2 preincubated for 5 mins before arachidonic acid addition measured a...More data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Ovis aries (Sheep))
K.L.E.U'S College Of Pharmacy

Curated by ChEMBL
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Affinity DataIC50:  4.20E+3nMAssay Description:Inhibition of ovine COX2 assessed as inhibition of PGF2alpha production from PGH2 preincubated for 5 mins before arachidonic acid addition measured a...More data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Shoolini University

Curated by ChEMBL
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Affinity DataIC50:  5nMAssay Description:Inhibitory concentration against COX-2 upon incubation for 15 minutes at 37 degree CMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Shoolini University

Curated by ChEMBL
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Affinity DataIC50:  26nMAssay Description:Inhibitory concentration against COX-2; (valus obtained by Kato et al.)More data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Shoolini University

Curated by ChEMBL
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Affinity DataIC50:  70nMAssay Description:Inhibition of human COX2 expressed in sf9 cellsMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Shoolini University

Curated by ChEMBL
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Affinity DataIC50:  630nMAssay Description:Inhibition of human recombinant COX-2 assessed as PGF2 alpha formation using arachidonic acid as substrate pretreated with compound for 20 mins prior...More data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Ovis aries (Sheep))
Shoolini University

Curated by ChEMBL
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Affinity DataIC50:  610nMAssay Description:Inhibition of ovine COX-1 assessed as PGF2alpha formation using arachidonic acid as substrate pretreated with compound for 20 mins prior to substrate...More data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Shoolini University

Curated by ChEMBL
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Affinity DataIC50:  20nMAssay Description:Inhibition of COX2More data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Mus musculus (Mouse))
Institute For Chemical Biology And Center In Molecular Toxicology

Curated by ChEMBL
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Affinity DataIC50:  77nMAssay Description:Inhibition of mouse wild type COX2More data for this Ligand-Target Pair
TargetCytochrome P450 2J2(Homo sapiens (Human))
Tongji University

Curated by ChEMBL
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVoltage-dependent L-type calcium channel subunit alpha-1C(RAT)
Jagiellonian University

Curated by ChEMBL
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Affinity DataIC50:  1.29E+4nMAssay Description:Inhibition of L-type calcium channel measured using whole-cell patch clamp in rat ventricular myocytesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransthyretin(Homo sapiens (Human))
Ume£

Curated by ChEMBL
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Affinity DataIC50:  1.40E+5nMAssay Description:Binding affinity to TTR in human plasma assessed as protein stabilization preincubated for 1 hr followed by urea-mediated denaturation by Western blo...More data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Bos taurus)
Johannes Gutenberg University

Curated by ChEMBL
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Affinity DataIC50:  3nMAssay Description:Inhibition of COX1 in bovine platelets assessed as formation of 12-hydroxyheptadecatrienoic acid by HPLCMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Shoolini University

Curated by ChEMBL
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Affinity DataIC50:  10nMAssay Description:Inhibition of COX2 in LPS-stimulated human bloodMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Ovis aries (Sheep))
Shoolini University

Curated by ChEMBL
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Affinity DataIC50:  70nMAssay Description:Inhibition of ovine COX1 assessed as reduction in PGH2-derived PGF2alpha using arachidonic acid as substrate preincubated for 10 mins followed by sub...More data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Shoolini University

Curated by ChEMBL
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Affinity DataIC50:  20nMAssay Description:Inhibition of human recombinant COX2 assessed as reduction in PGH2-derived PGF2alpha using arachidonic acid as substrate preincubated for 10 mins fol...More data for this Ligand-Target Pair
TargetInterleukin-8(Homo sapiens (Human))
Grupo Uriach

Curated by ChEMBL
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Affinity DataIC50:  8nMAssay Description:Inhibition of CXCL8-induced chemotaxis in human polymorphonuclear leukocyte pretreated for 15 mins measured after 4 hrs by cell migration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetC-X-C chemokine receptor type 1(Homo sapiens (Human))
Grupo Uriach

Curated by ChEMBL
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Affinity DataIC50:  12nMAssay Description:Inhibition of wild type CXCR1 transfected in mouse L1.2 cells assessed as inhibition of CXCL8-induced cell migration pretreated for 15 mins measured ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Shoolini University

Curated by ChEMBL
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Affinity DataIC50:  2.36E+4nMAssay Description:Inhibition of human recombinant COX2 expressed in baculovirus infected SF21 cellMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Shoolini University

Curated by ChEMBL
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Affinity DataIC50:  50nMAssay Description:In vitro inhibitory activity against human whole blood Prostaglandin G/H synthase 2More data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
Institute For Chemical Biology And Center In Molecular Toxicology

Curated by ChEMBL
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Affinity DataIC50:  150nMAssay Description:In vitro inhibitory activity against human whole blood Prostaglandin G/H synthase 1More data for this Ligand-Target Pair
TargetSolute carrier family 22 member 6(Homo sapiens (Human))
Gilead Sciences

Curated by ChEMBL
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Affinity DataIC50:  4.00E+3nMAssay Description:TP_TRANSPORTER: inhibition of Adefovir uptake in OAT1-expressing CHO cellsMore data for this Ligand-Target Pair
In DepthDetails PubMedDrugBank

TargetMultidrug and toxin extrusion protein 1(Homo sapiens (Human))
University Of California

Curated by ChEMBL
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Affinity DataIC50: >5.00E+5nMAssay Description:Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Shoolini University

Curated by ChEMBL
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Affinity DataIC50:  28nMAssay Description:Inhibition of human COX2 for 17 mins pre-incubated before addition of [1-14C]arachidonic acidMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Ovis aries (Sheep))
Shoolini University

Curated by ChEMBL
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Affinity DataIC50:  67nMAssay Description:Inhibition of ovine COX1 for 17 mins pre-incubated before addition of [1-14C]arachidonic acidMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Mus musculus (Mouse))
Institute For Chemical Biology And Center In Molecular Toxicology

Curated by ChEMBL
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Affinity DataIC50:  22nMAssay Description:Inhibition of mouse COX2 for 17 mins pre-incubated before addition of [1-14C]arachidonic acidMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Mus musculus (Mouse))
Institute For Chemical Biology And Center In Molecular Toxicology

Curated by ChEMBL
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Affinity DataIC50:  22nMAssay Description:Inhibition of mouse COX2 for 20 mins pre-incubated before addition of [1-14C]arachidonic acidMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Ovis aries (Sheep))
K.L.E.U'S College Of Pharmacy

Curated by ChEMBL
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Affinity DataIC50:  60nMAssay Description:Inhibition of sheep placental cotyledons COX2More data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
Institute For Chemical Biology And Center In Molecular Toxicology

Curated by ChEMBL
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Affinity DataIC50:  3nMAssay Description:Inhibition of COX1More data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Shoolini University

Curated by ChEMBL
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Affinity DataIC50:  5nMAssay Description:Inhibition of COX2More data for this Ligand-Target Pair

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