BDBM17636 2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid::Arlef::CHEMBL23588::Flufenamic acid::Nichisedan::US20240002326, Compound Flufenamic acid::US9271961, Flufenamic Acid

SMILES OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F

InChI Key InChIKey=LPEPZBJOKDYZAD-UHFFFAOYSA-N

Data  3 KI  43 IC50  4 Kd  8 EC50

PDB links: 7 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 58 hits for monomerid = 17636   

TargetAldo-keto reductase family 1 member C3(Homo sapiens (Human))
The University Of Birmingham

LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataKi:  140nM ΔG°:  -9.50kcal/molepH: 7.0 T: 2°CAssay Description:A fluorescence assay was used to determine the kinetic constants for the oxidation of 3alpha-androstanediol. The fluorescence emission of NADPH at 45...More data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member C3(Homo sapiens (Human))
The University Of Birmingham

LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataKi:  3.10E+3nM ΔG°:  -7.64kcal/molepH: 7.0 T: 2°CAssay Description:Enzyme activity was measured in the reductive direction against varying concentrations of androsterone. Initial velocities were measured by observing...More data for this Ligand-Target Pair
TargetFatty acid-binding protein, intestinal(Homo sapiens (Human))
Monash University

LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataKi:  1.55E+4nM ΔG°:  -12.5kcal/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
TargetAldo-keto reductase family 1 member C2(Homo sapiens (Human))
University Of Pennsylvania

US Patent
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataIC50:  630nMAssay Description:Compounds may be evaluated as selective reversible inhibitors of AKR1C3 by screening them against homogeneous recombinant AKR1C1-AKR1C4 expressed in ...More data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member C2(Homo sapiens (Human))
University Of Pennsylvania

US Patent
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataIC50:  370nMAssay Description:Compounds may be evaluated as selective reversible inhibitors of AKR1C3 by screening them against homogeneous recombinant AKR1C1-AKR1C4 expressed in ...More data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member C1(Homo sapiens (Human))
University Of Pennsylvania

US Patent
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataIC50:  980nMAssay Description:Compounds may be evaluated as selective reversible inhibitors of AKR1C3 by screening them against homogeneous recombinant AKR1C1-AKR1C4 expressed in ...More data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
University Of Pennsylvania

US Patent
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataIC50:  2.23E+3nMAssay Description:Compounds may be evaluated as selective reversible inhibitors of AKR1C3 by screening them against homogeneous recombinant AKR1C1-AKR1C4 expressed in ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
University Of Pennsylvania

US Patent
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataIC50:  16nMAssay Description:Compounds may be evaluated as selective reversible inhibitors of AKR1C3 by screening them against homogeneous recombinant AKR1C1-AKR1C4 expressed in ...More data for this Ligand-Target Pair
TargetTranscription factor SOX-18(Mus musculus (Mouse))
The University Of Queensland

LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataIC50:  2.20E+5nMpH: 7.5 T: 2°CAssay Description:The DNA-binding competition assay was performed in 25 μL, in black 384-well plates, using either 30 mM HEPES (N-2-Hydroxyethylpiperazine-N'-2-Etha...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldo-keto reductase family 1 member B1(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataIC50:  1.00E+5nMAssay Description:In vitro inhibition of rabbit lens aldose reductase.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldo-keto reductase family 1 member C3(Homo sapiens (Human))
The University Of Birmingham

LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataIC50:  51nMAssay Description:Inhibition of AKR1C3 by fluorimetric methodMore data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member B1(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataIC50:  4.10E+4nMAssay 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
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataIC50:  760nMAssay 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
TargetAcid-sensing ion channel 5(Rattus norvegicus)
Rwth Aachen University

Curated by ChEMBL
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataEC50:  2.60E+6nMAssay Description:Binding affinity to rat bile acid-sensitive ion channel expressed in xenopus oocytesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium channel subfamily K member 2(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataEC50:  1.00E+5nMAssay Description:Activation of TREK1 (unknown origin) expressed in COS7 cells assessed as increase in whole cell currents at +50 mV relative to controlMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldo-keto reductase family 1 member C2(Homo sapiens (Human))
University Of Pennsylvania

US Patent
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataIC50:  370nMAssay Description:Inhibition of AKR1C2 by fluorimetric methodMore data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
University Of British Columbia

Curated by ChEMBL
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataIC50: >5.00E+4nMAssay Description:Transcriptional activity at human androgen receptor BF3 site stably transfected in eGFP-expressing human LNCAP cells after 5 days by fluorometric ana...More data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member C4(Homo sapiens (Human))
University Of Auckland

Curated by ChEMBL
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of human recombinant N-terminal His6-tagged AKR1C4 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-1...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldo-keto reductase family 1 member C2(Homo sapiens (Human))
University Of Pennsylvania

US Patent
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataIC50:  3.14E+3nMAssay Description:Inhibition of human recombinant N-terminal His6-tagged AKR1C2 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-1...More data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member C1(Homo sapiens (Human))
University Of Pennsylvania

US Patent
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataIC50:  2.64E+3nMAssay Description:Inhibition of human recombinant N-terminal His6-tagged AKR1C1 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-1...More data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member C3(Homo sapiens (Human))
The University Of Birmingham

LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataIC50:  410nMAssay Description:Inhibition of human recombinant N-terminal His6-tagged AKR1C3 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-1...More data for this Ligand-Target Pair
TargetPotassium channel subfamily K member 18(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataEC50:  4.74E+5nMAssay Description:Activation of human TRESK channel expressed in HEK293 cells assessed as induction of channel current by whole cell patch clamp assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMyeloperoxidase(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataIC50:  1.80E+3nMAssay Description:Inhibition of chlorinating activity of recombinant myeloperoxidase by taurine assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldo-keto reductase family 1 member C4(Homo sapiens (Human))
University Of Auckland

Curated by ChEMBL
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of AKR1C4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
University Of Pennsylvania

US Patent
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataIC50:  9.30E+3nMAssay Description:Inhibition of COX2 (unknown origin)More data for this Ligand-Target Pair
TargetTranscription factor SOX-18(Human)
University of Queensland

US Patent
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataIC50:  2.20E+5nMAssay Description:Different concentration ranges were tested in the FP-based DNA binding competition assay (0.2-200 uM, 10-500 uM, 10 uM-3 mM), with DMSO concentration...More data for this Ligand-Target Pair
Target InfoPDB
GoogleScholar
In DepthDetails US Patent
TargetAldo-keto reductase family 1 member C3(Homo sapiens (Human))
The University Of Birmingham

LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataIC50:  410nMAssay Description:Inhibition of AKR1C3 (unknown origin)More data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member C2(Homo sapiens (Human))
University Of Pennsylvania

US Patent
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataIC50:  3.14E+3nMAssay Description:Inhibition of AKR1C2 (unknown origin)More data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member C1(Homo sapiens (Human))
University Of Pennsylvania

US Patent
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataIC50:  2.64E+3nMAssay Description:Inhibition of AKR1C1 (unknown origin)More data for this Ligand-Target Pair
TargetTransthyretin(Homo sapiens (Human))
University Of California

Curated by ChEMBL
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataIC50:  2.90E+3nMpH: 4.4Assay Description:Inhibition of human transthyretin fibril formation at pH 4.4 after 72 hrsMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
University Of Pennsylvania

US Patent
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataIC50:  2.23E+3nMAssay Description:Inhibition of recombinant COX1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
University Of Pennsylvania

US Patent
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataIC50:  20nMAssay Description:Inhibition of recombinant COX2More data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member C2(Homo sapiens (Human))
University Of Pennsylvania

US Patent
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataIC50:  370nMAssay Description:Inhibition of recombinant AKR1C2 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assayMore data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member C3(Homo sapiens (Human))
The University Of Birmingham

LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataIC50:  50nMAssay Description:Inhibition of recombinant AKR1C3 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assayMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
University Of Pennsylvania

US Patent
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataIC50:  16nMAssay Description:Inhibition of COX2 expressed in baculovirus infected SF-21 cells assessed as formation of PGH2 from PGG2 using arachidonic acid as substrate preincub...More data for this Ligand-Target Pair
TargetPotassium channel subfamily K member 18(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataEC50: >1.00E+5nMAssay Description:Activation of human TRESK channel relative to controlMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome c oxidase subunit 2(Homo sapiens (Human))
University Of Torino

Curated by ChEMBL
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataIC50: >1.00E+5nMAssay Description:Thromboxane (TXA2) receptor antagonist activity using human plateletMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldo-keto reductase family 1 member C3(Homo sapiens (Human))
The University Of Birmingham

LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataIC50:  8.63E+3nMAssay Description:Thromboxane (TXA2) receptor antagonist activity using human plateletMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Ovis aries (Sheep))
University Of Torino

Curated by ChEMBL
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataIC50:  1.40E+4nMAssay Description:Thromboxane (TXA2) receptor antagonist activity using human plateletMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldo-keto reductase family 1 member C2(Homo sapiens (Human))
University Of Pennsylvania

US Patent
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataIC50:  530nMAssay Description:Antagonistic activity against TP-receptor by inhibition of U 46619-induced contraction of isolated guinea pig tracheaMore data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member C3(Homo sapiens (Human))
The University Of Birmingham

LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataIC50:  440nMAssay Description:Inhibition of type-1 human steroid 5-alpha-reductaseMore data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member C3(Homo sapiens (Human))
The University Of Birmingham

LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataIC50:  440nMAssay Description:Inhibition of recombinant N-terminal GST-tagged human AKR1C3 expressed in Escherichia coli BL21 (DE) Codon Plus RP cells using S-tetralol as substrat...More data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member C2(Homo sapiens (Human))
University Of Pennsylvania

US Patent
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataIC50:  530nMAssay Description:Inhibition of recombinant N-terminal GST-tagged human AKR1C2 expressed in Escherichia coli BL21 (DE) Codon Plus RP cells using S-tetralol as substrat...More data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member B10(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataIC50:  760nMAssay Description:Inhibition of recombinant human N-terminal His6-tagged AKR1B10 expressed in Escherichia coli BL21 (DE3) pLysS cells by pyridine-3-aldehyde reductase ...More data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member B10(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataIC50:  9.60E+4nMAssay Description:Inhibition of recombinant human N-terminal His6-tagged AKR1B10 expressed in Escherichia coli BL21 cells using all-trans-retinal as substrate incubate...More data for this Ligand-Target Pair
TargetTransient receptor potential cation channel subfamily A member 1(Homo sapiens (Human))
University Of Hull

Curated by ChEMBL
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataEC50:  6.92E+3nMAssay 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
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataEC50:  7.00E+3nMAssay 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
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataEC50:  2.40E+4nMAssay 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
TargetTranscriptional enhancer factor TEF-3(Homo sapiens)
Shanghai Institute Of Materia Medica

Curated by ChEMBL
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataKd:  7.30E+4nMAssay Description:Binding affinity to N-terminal His6 tagged human TEAD4 (217 to 434 residues) expressed in Escherichia coli C43 (DE3) cells incubated for 30 mins by i...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTranscriptional enhancer factor TEF-3(Homo sapiens)
Shanghai Institute Of Materia Medica

Curated by ChEMBL
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataKd:  8.40E+4nMAssay Description:Binding affinity to N-terminal His6 tagged human TEAD4-YBD (217 to 434 residues) expressed in Escherichia coli C43 (DE3) cells by SPR analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
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