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SMILES Cc1cccc(Nc2ccccc2C(O)=O)c1C

InChI Key InChIKey=HYYBABOKPJLUIN-UHFFFAOYSA-N

PDB links: 5 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 34 hits for monomerid = 50134036   

TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Dallas Department of Veterans Affairs Medical Center

Curated by PDSP Ki Database
LigandPNGBDBM50134036(2-(2,3-Dimethyl-phenylamino)-benzoic acid | 2-(2,3...)copy SMILEScopy InChI
Affinity DataKi:  160nMMore data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member C2(Homo sapiens (Human))
University of Ljubljana

Curated by ChEMBL
LigandPNGBDBM50134036(2-(2,3-Dimethyl-phenylamino)-benzoic acid | 2-(2,3...)copy SMILEScopy InChI
Affinity DataKi:  220nMAssay Description:Inhibition of human recombinant AKR1C2 assessed as 1-acenaphthenol oxidation by spectrophotometryMore data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member C3(Homo sapiens (Human))
University of Ljubljana

Curated by ChEMBL
LigandPNGBDBM50134036(2-(2,3-Dimethyl-phenylamino)-benzoic acid | 2-(2,3...)copy SMILEScopy InChI
Affinity DataKi:  300nMAssay Description:Inhibition of human recombinant AKR1C3 assessed as 1-acenaphthenol oxidation by spectrophotometryMore data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member C1(Homo sapiens (Human))
University of Ljubljana

Curated by ChEMBL
LigandPNGBDBM50134036(2-(2,3-Dimethyl-phenylamino)-benzoic acid | 2-(2,3...)copy SMILEScopy InChI
Affinity DataKi:  810nMAssay Description:Inhibition of human recombinant AKR1C1 assessed as 1-acenaphthenol oxidation by spectrophotometryMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Dallas Department of Veterans Affairs Medical Center

Curated by PDSP Ki Database
LigandPNGBDBM50134036(2-(2,3-Dimethyl-phenylamino)-benzoic acid | 2-(2,3...)copy SMILEScopy InChI
Affinity DataKi:  1.30E+3nMMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
Dallas Department of Veterans Affairs Medical Center

Curated by PDSP Ki Database
LigandPNGBDBM50134036(2-(2,3-Dimethyl-phenylamino)-benzoic acid | 2-(2,3...)copy SMILEScopy InChI
Affinity DataKi:  1.94E+3nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2F18X97PubMed
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Dallas Department of Veterans Affairs Medical Center

Curated by PDSP Ki Database
LigandPNGBDBM50134036(2-(2,3-Dimethyl-phenylamino)-benzoic acid | 2-(2,3...)copy SMILEScopy InChI
Affinity DataKi:  2.90E+3nMMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
Dallas Department of Veterans Affairs Medical Center

Curated by PDSP Ki Database
LigandPNGBDBM50134036(2-(2,3-Dimethyl-phenylamino)-benzoic acid | 2-(2,3...)copy SMILEScopy InChI
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q21G0JT4PubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
University of Tennessee

Curated by ChEMBL
LigandPNGBDBM50134036(2-(2,3-Dimethyl-phenylamino)-benzoic acid | 2-(2,3...)copy SMILEScopy InChI
Affinity DataKi:  7.20E+4nMAssay 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 Article
BindingDB Entry DOI: 10.7270/Q2T72N1JPubMed
TargetAldo-keto reductase family 1 member C3(Homo sapiens (Human))
University of Ljubljana

Curated by ChEMBL
LigandPNGBDBM50134036(2-(2,3-Dimethyl-phenylamino)-benzoic acid | 2-(2,3...)copy SMILEScopy InChI
Affinity DataIC50: 560nMAssay 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 Ljubljana

Curated by ChEMBL
LigandPNGBDBM50134036(2-(2,3-Dimethyl-phenylamino)-benzoic acid | 2-(2,3...)copy SMILEScopy InChI
Affinity DataIC50: 6.97E+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 Ljubljana

Curated by ChEMBL
LigandPNGBDBM50134036(2-(2,3-Dimethyl-phenylamino)-benzoic acid | 2-(2,3...)copy SMILEScopy InChI
Affinity DataIC50: 3.91E+3nMAssay Description:Inhibition of AKR1C1 (unknown origin)More data for this Ligand-Target Pair
TargetBile salt export pump(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50134036(2-(2,3-Dimethyl-phenylamino)-benzoic acid | 2-(2,3...)copy SMILEScopy InChI
Affinity DataIC50: 5.70E+4nMAssay Description:Inhibition of recombinant human BSEP expressed in baculovirus infected sf9 cell membrane vesicles assessed as reduction in ATP or AMP-dependent [3H]-...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2TF00N2PubMed
TargetMyeloperoxidase(Homo sapiens (Human))
Universit£ Libre de Bruxelles

Curated by ChEMBL
LigandPNGBDBM50134036(2-(2,3-Dimethyl-phenylamino)-benzoic acid | 2-(2,3...)copy SMILEScopy InChI
Affinity DataIC50: 2.21E+3nMAssay Description:Inhibition of recombinant MPO (unknown origin) assessed as reduction in LDL oxidation in presence of H2O2 and HCl after 5 mins by ELISAMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27D2XD7PubMed
TargetMyeloperoxidase(Homo sapiens (Human))
Universit£ Libre de Bruxelles

Curated by ChEMBL
LigandPNGBDBM50134036(2-(2,3-Dimethyl-phenylamino)-benzoic acid | 2-(2,3...)copy SMILEScopy InChI
Affinity DataIC50: 980nMAssay Description:In vitro antagonist activity against rat prostatic androgen receptor (AR)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27D2XD7PubMed
TargetATP-binding cassette sub-family C member 4(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50134036(2-(2,3-Dimethyl-phenylamino)-benzoic acid | 2-(2,3...)copy SMILEScopy InChI
Affinity DataIC50: 1.33E+5nMAssay 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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JM2D2DPubMed
TargetATP-binding cassette sub-family C member 2(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50134036(2-(2,3-Dimethyl-phenylamino)-benzoic acid | 2-(2,3...)copy SMILEScopy InChI
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP2 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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JM2D2DPubMed
TargetATP-binding cassette sub-family C member 3(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50134036(2-(2,3-Dimethyl-phenylamino)-benzoic acid | 2-(2,3...)copy SMILEScopy InChI
Affinity DataIC50: 1.33E+5nMAssay 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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JM2D2DPubMed
TargetBile salt export pump(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50134036(2-(2,3-Dimethyl-phenylamino)-benzoic acid | 2-(2,3...)copy SMILEScopy InChI
Affinity DataIC50: 1.33E+5nMAssay 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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JM2D2DPubMed
TargetNACHT, LRR and PYD domains-containing protein 3(Mus musculus)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50134036(2-(2,3-Dimethyl-phenylamino)-benzoic acid | 2-(2,3...)copy SMILEScopy InChI
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of NLRP3 inflammasome activation in LPS-primed C57BL/6 mouse bone marrow derived macrophages preincubated for 15 mins followed by addition...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2SN0D7DPubMed
TargetTransient receptor potential cation channel subfamily A member 1(Homo sapiens (Human))
University of Hull

Curated by ChEMBL
LigandPNGBDBM50134036(2-(2,3-Dimethyl-phenylamino)-benzoic acid | 2-(2,3...)copy SMILEScopy InChI
Affinity DataEC50:  6.10E+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 Article
BindingDB Entry DOI: 10.7270/Q2F76GWSPubMed
TargetTransient receptor potential cation channel subfamily A member 1(Homo sapiens (Human))
University of Hull

Curated by ChEMBL
LigandPNGBDBM50134036(2-(2,3-Dimethyl-phenylamino)-benzoic acid | 2-(2,3...)copy SMILEScopy InChI
Affinity DataEC50:  1.66E+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 Article
BindingDB Entry DOI: 10.7270/Q2F76GWSPubMed
TargetTransient receptor potential cation channel subfamily A member 1(Homo sapiens (Human))
University of Hull

Curated by ChEMBL
LigandPNGBDBM50134036(2-(2,3-Dimethyl-phenylamino)-benzoic acid | 2-(2,3...)copy SMILEScopy InChI
Affinity DataEC50:  1.60E+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 Article
BindingDB Entry DOI: 10.7270/Q2F76GWSPubMed
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
Dallas Department of Veterans Affairs Medical Center

Curated by PDSP Ki Database
LigandPNGBDBM50134036(2-(2,3-Dimethyl-phenylamino)-benzoic acid | 2-(2,3...)copy SMILEScopy InChI
Affinity DataIC50: 7.70E+5nMAssay Description:Inhibition of COX-1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2N01B92PubMed
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Dallas Department of Veterans Affairs Medical Center

Curated by PDSP Ki Database
LigandPNGBDBM50134036(2-(2,3-Dimethyl-phenylamino)-benzoic acid | 2-(2,3...)copy SMILEScopy InChI
Affinity DataIC50: 1.03E+5nMAssay Description:Inhibition of COX-2 (unknown origin)More data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Dallas Department of Veterans Affairs Medical Center

Curated by PDSP Ki Database
LigandPNGBDBM50134036(2-(2,3-Dimethyl-phenylamino)-benzoic acid | 2-(2,3...)copy SMILEScopy InChI
Affinity DataIC50: 2.90E+3nMAssay Description:Inhibition of COX2 (unknown origin)More data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member C4(Homo sapiens (Human))
University of Auckland

Curated by ChEMBL
LigandPNGBDBM50134036(2-(2,3-Dimethyl-phenylamino)-benzoic acid | 2-(2,3...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of AKR1C4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2H133CXPubMed
TargetMalate dehydrogenase, cytoplasmic(Homo sapiens (Human))
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50134036(2-(2,3-Dimethyl-phenylamino)-benzoic acid | 2-(2,3...)copy SMILEScopy InChI
Affinity DataIC50: 2.25E+5nMAssay Description:Inhibition of malate dehydrogenase (MDH)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2X34Z5CPubMed
TargetBeta-lactamase(Escherichia coli)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50134036(2-(2,3-Dimethyl-phenylamino)-benzoic acid | 2-(2,3...)copy SMILEScopy InChI
Affinity DataIC50: 3.50E+5nMAssay Description:Compound was tested for the inhibition of beta-lactamaseMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2X34Z5CPubMed
TargetCytochrome P450 2J2(Homo sapiens (Human))
Tongji University

Curated by ChEMBL
LigandPNGBDBM50134036(2-(2,3-Dimethyl-phenylamino)-benzoic acid | 2-(2,3...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2K0761GPubMed
TargetAldo-keto reductase family 1 member B10(Homo sapiens (Human))
Universit£ degli Studi di Messina

Curated by ChEMBL
LigandPNGBDBM50134036(2-(2,3-Dimethyl-phenylamino)-benzoic acid | 2-(2,3...)copy SMILEScopy InChI
Affinity DataIC50: 1.60E+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 Article
BindingDB Entry DOI: 10.7270/Q2D79D4XPubMed
TargetAldo-keto reductase family 1 member B1(Homo sapiens (Human))
Universit£ degli Studi di Messina

Curated by ChEMBL
LigandPNGBDBM50134036(2-(2,3-Dimethyl-phenylamino)-benzoic acid | 2-(2,3...)copy SMILEScopy InChI
Affinity DataIC50: 7.70E+4nMAssay Description:Inhibition of human AR by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2D79D4XPubMed
TargetGlycogen synthase kinase-3 beta(Homo sapiens (Human))
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM50134036(2-(2,3-Dimethyl-phenylamino)-benzoic acid | 2-(2,3...)copy SMILEScopy InChI
Affinity DataEC50: >3.00E+5nMAssay Description:Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2TX3CTTPCBioAssay
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
Dallas Department of Veterans Affairs Medical Center

Curated by PDSP Ki Database
LigandPNGBDBM50134036(2-(2,3-Dimethyl-phenylamino)-benzoic acid | 2-(2,3...)copy SMILEScopy InChI
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of COX1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2H133CXPubMed