BDBM50085536 3,4,5-Trihydroxybenzoate, X::3,4,5-trihydroxybenzoic acid::CHEMBL288114::Gallic Acid, F::gallic acid

SMILES OC(=O)c1cc(O)c(O)c(O)c1

InChI Key InChIKey=LNTHITQWFMADLM-UHFFFAOYSA-N

Data  16 KI  25 IC50  1 Kd  2 EC50  1 Koff  1 Kon

PDB links: 10 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 46 hits for monomerid = 50085536   

TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50085536(3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...)
Affinity DataKi:  2.25E+3nMAssay Description:Inhibition of human CA2 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50085536(3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...)
Affinity DataKi:  3.20E+3nMAssay Description:Inhibition of human CA1 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 5A, mitochondrial(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50085536(3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...)
Affinity DataKi:  4.08E+3nMAssay Description:Inhibition of human CA5A by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase(Dicentrarchus labrax)
Gumushane University

Curated by ChEMBL
LigandPNGBDBM50085536(3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...)
Affinity DataKi:  4.13E+3nMAssay Description:Inhibition of Dicentrarchus labrax CA using 4-nitrophenylacetate substrate by esterase assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 7(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50085536(3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...)
Affinity DataKi:  6.07E+3nMAssay Description:Inhibition of human CA7 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50085536(3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...)
Affinity DataKi:  6.13E+3nMAssay Description:Inhibition of human CA6 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50085536(3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...)
Affinity DataKi:  6.99E+3nMAssay Description:Inhibition of human CA9 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 14(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50085536(3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...)
Affinity DataKi:  7.03E+3nMAssay Description:Inhibition of human CA14 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 3(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50085536(3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...)
Affinity DataKi:  7.49E+3nMAssay Description:Inhibition of human CA3 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50085536(3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...)
Affinity DataKi:  7.78E+3nMAssay Description:Inhibition of human CA12 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 4(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50085536(3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...)
Affinity DataKi:  9.80E+3nMAssay Description:Inhibition of human CA4 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 13(Mus musculus (mouse))
Universit£

Curated by ChEMBL
LigandPNGBDBM50085536(3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...)
Affinity DataKi:  9.86E+3nMAssay Description:Inhibition of mouse CA13 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 5B, mitochondrial(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50085536(3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...)
Affinity DataKi:  9.97E+3nMAssay Description:Inhibition of human CA5B by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProlyl 4-hydroxylase subunit alpha-1(Gallus gallus (Chicken))
University Of Oulu

LigandPNGBDBM50085536(3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...)
Affinity DataKi:  3.00E+4nMAssay Description:Inhibition assay using procollagen-prolin, 2-oxoglutarate 4-dioxygenase.More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50085536(3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...)
Affinity DataKi:  7.58E+5nM ΔG°:  -4.25kcal/molepH: 7.4 T: 2°CAssay Description:Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion using s...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50085536(3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...)
Affinity DataKi:  1.05E+6nM ΔG°:  -4.06kcal/molepH: 7.4 T: 2°CAssay Description:Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion using s...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetE-selectin(Homo sapiens (Human))
Revotar Biopharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50085536(3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...)
Affinity DataIC50: >5.00E+5nMAssay Description:Inhibition of human E-selectin after 2 hrsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNitric oxide synthase, inducible(Mus musculus (mouse))
National Cheng Kung University

Curated by ChEMBL
LigandPNGBDBM50085536(3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of iNOS-mediated NO production in LPS-induced mouse BV2 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSqualene monooxygenase(Rattus norvegicus)
University Of Shizuoka

Curated by ChEMBL
LigandPNGBDBM50085536(3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...)
Affinity DataIC50:  7.30E+4nMAssay Description:Inhibition of C-terminal hexahistidine-tagged rat recombinant squalene epoxidase without N-terminal putative membrane domain expressed in Escherichia...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)
University Of Toledo

Curated by ChEMBL
LigandPNGBDBM50085536(3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of polymerization in wild type HIV-1 RT with poly rC/dG12-18 template primer and [3H]dGTPMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAutoinducer 2-binding periplasmic protein LuxP(Vibrio harveyi)
Georgia State University

Curated by ChEMBL
LigandPNGBDBM50085536(3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...)
Affinity DataIC50:  5.00E+4nMAssay Description:Antagonist activity at LuxP receptor in Vibrio harveyi MM32 assessed as inhibition of autoinducer2-mediated quorum sensing after 3 to 4 hrsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPlasminogen activator inhibitor 1(Homo sapiens (Human))
University Of Michigan

LigandPNGBDBM50085536(3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...)
Affinity DataIC50:  6.60E+3nMpH: 7.8 T: 2°CAssay Description:Enzyme activity assay using human and murine PAI-1.More data for this Ligand-Target Pair
TargetMatrilysin(Homo sapiens (Human))
Schering-Plough Research Institute

LigandPNGBDBM50085536(3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...)
Affinity DataIC50: >2.00E+5nMpH: 7.5 T: 2°CAssay Description:A radioligand-binding assay was developed using scintillation proximity assay (SPA) technology. The wheat germ agglutinin SPA beads (Amersham) (0.2 m...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target72 kDa type IV collagenase(Homo sapiens (Human))
Schering-Plough Research Institute

LigandPNGBDBM50085536(3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...)
Affinity DataIC50: >2.00E+5nMpH: 7.5 T: 2°CAssay Description:A radioligand-binding assay was developed using scintillation proximity assay (SPA) technology. The wheat germ agglutinin SPA beads (Amersham) (0.2 m...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDisintegrin and metalloproteinase domain-containing protein 17(Homo sapiens (Human))
Schering-Plough Research Institute

LigandPNGBDBM50085536(3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...)
Affinity DataIC50: >2.00E+5nMpH: 7.3 T: 2°CAssay Description:Enzyme activity was determined by a kinetic assay measuring the rate of increase in fluorescent intensity generated by the cleavage of an internally ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 1(Homo sapiens (Human))
Schering-Plough Research Institute

LigandPNGBDBM50085536(3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...)
Affinity DataIC50:  1.90E+4nMpH: 7.3 T: 2°CAssay Description:A radioligand-binding assay was developed using scintillation proximity assay (SPA) technology. The wheat germ agglutinin SPA beads (Amersham) (0.2 m...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target4-galactosyl-N-acetylglucosaminide 3-alpha-L-fucosyltransferase FUT6(Homo sapiens (Human))
Schering-Plough Research Institute

LigandPNGBDBM50085536(3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...)
Affinity DataIC50:  1.40E+4nMpH: 7.3 T: 2°CAssay Description:A radioligand-binding assay was developed using scintillation proximity assay (SPA) technology. The wheat germ agglutinin SPA beads (Amersham) (0.2 m...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-(1,3)-fucosyltransferase 7(Homo sapiens (Human))
Schering-Plough Research Institute

LigandPNGBDBM50085536(3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...)
Affinity DataIC50:  8.00E+3nMpH: 7.3 T: 2°CAssay Description:A radioligand-binding assay was developed using scintillation proximity assay (SPA) technology. The wheat germ agglutinin SPA beads (Amersham) (0.2 m...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-(1,3)-fucosyltransferase 7(Homo sapiens (Human))
Schering-Plough Research Institute

LigandPNGBDBM50085536(3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...)
Affinity DataIC50:  60nMpH: 7.3 T: 2°CAssay Description:A radioligand-binding assay was developed using scintillation proximity assay (SPA) technology. The wheat germ agglutinin SPA beads (Amersham) (0.2 m...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAmyloid-beta precursor protein(Homo sapiens (Human))
Muroran Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM50085536(3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...)
Affinity DataEC50:  1.70nMAssay Description:Inhibition of amyloid beta 1 to 42 aggregation (unknown origin) incubated for 24 hrs by ThT fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAngiotensin-converting enzyme(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50085536(3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...)
Affinity DataIC50:  7.70E+6nMAssay Description:Inhibition of ACE by fluorometric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPancreatic triacylglycerol lipase(Sus scrofa (Pig))
Hokkaido University

Curated by ChEMBL
LigandPNGBDBM50085536(3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...)
Affinity DataIC50: >1.00E+6nMAssay Description:Inhibition of porcine pancreatic lipase using micellar solution of triolein as substrate preincubated for 5 mins before substrate addition measured a...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDipeptidyl peptidase 4(Homo sapiens (Human))
Chinese Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM50085536(3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...)
Affinity DataIC50:  4.65E+3nMAssay Description:Inhibition of DPP4 (unknown origin) using Gly-Pro-AMC as substrate preincubated for 4 secs followed by substrate addition and measured after 30 mins ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-glucosidase MAL62(Saccharomyces cerevisiae)TBA
LigandPNGBDBM50085536(3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...)
Affinity DataIC50:  5.20E+9nMAssay Description:Inhibition of baker's yeast alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate by spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails Article
TargetAnthrax toxin receptor 2(Homo sapiens)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50085536(3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...)
Affinity DataIC50: >3.00E+5nMAssay Description:Inhibition of CMG2 (40 to 217) C175A and R40C double mutant (unknown origin) interaction to full length PA E733C mutant expressed in Escherichia coli...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolypeptide N-acetylgalactosaminyltransferase 2(Homo sapiens (Human))
Shanghai Jiao Tong University

Curated by ChEMBL
LigandPNGBDBM50085536(3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...)
Affinity DataKd:  924nMAssay Description:Binding affinity of human recombinant FLAG-tagged ppGalNAcT2 expressed in HEK293 cells assessed as dissociation constant by SPR analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolypeptide N-acetylgalactosaminyltransferase 2(Homo sapiens (Human))
Shanghai Jiao Tong University

Curated by ChEMBL
LigandPNGBDBM50085536(3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...)
Affinity DataKoff:  1.45E+3s-1Assay Description:Binding affinity of human recombinant FLAG-tagged ppGalNAcT2 expressed in HEK293 cells assessed as association rate by SPR analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolypeptide N-acetylgalactosaminyltransferase 2(Homo sapiens (Human))
Shanghai Jiao Tong University

Curated by ChEMBL
LigandPNGBDBM50085536(3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...)
Affinity DataKon:  0.00134M-1s-1Assay Description:Binding affinity of human recombinant FLAG-tagged ppGalNAcT2 expressed in HEK293 cells assessed as dissociation rate by SPR analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolypeptide N-acetylgalactosaminyltransferase 2(Homo sapiens (Human))
Shanghai Jiao Tong University

Curated by ChEMBL
LigandPNGBDBM50085536(3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...)
Affinity DataIC50:  1.37E+3nMAssay Description:Inhibition of catalytic activity of human recombinant FLAG-tagged ppGalNAcT2 expressed in HEK293T cells and using 5-FAM labelled-EA2 peptide as subst...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProteasome subunit beta type-5(Homo sapiens (Human))
Institute Of Agricultural And Food Biotechnology

Curated by ChEMBL
LigandPNGBDBM50085536(3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...)
Affinity DataIC50:  7.10E+6nMAssay Description:Inhibition of chymotrypsin-like activity of purified human 20S proteasome assessed as decrease in AMC hydrolysis using Suc-Leu-Leu-Val-Tyr-AMC as sub...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetToll-like receptor 2(Mus musculus)
Southern Medical University

Curated by ChEMBL
LigandPNGBDBM50085536(3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...)
Affinity DataIC50:  6.93E+4nMAssay Description:Antagonist activity at TLR2 in mouse RAW264.7 cells assessed as PAM3CSK4-induced NO production measured after 24 hrs by Griess assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-synuclein(Homo sapiens (Human))
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50085536(3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...)
Affinity DataIC50:  4.43E+3nMAssay Description:Inhibition of alpha-synuclein (unknown origin) aggregation incubated for 3 days by thioflavin T based fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHemoglobin subunit beta(Homo sapiens)
Mohamed 1St University

Curated by ChEMBL
LigandPNGBDBM50085536(3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...)
Affinity DataIC50:  9.99E+5nMAssay Description:Inhibition of non-enzymatic glycation in hemoglobin (unknown origin) by spectrophotometric analysisMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAmyloid-beta precursor protein(Homo sapiens (Human))
Muroran Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM50085536(3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...)
Affinity DataEC50:  3.20nMAssay Description:Inhibition of amyloid beta 1 to 42 aggregation (unknown origin) incubated for 24 hrs by inverted fluorescence microscopic analysisMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetL-selectin(Homo sapiens (Human))
Revotar Biopharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50085536(3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...)
Affinity DataIC50:  2.76E+4nMAssay Description:Inhibition of human L-selectin after 2 hrsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetP-selectin(Homo sapiens (Human))
Revotar Biopharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50085536(3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...)
Affinity DataIC50:  1.91E+4nMAssay Description:Inhibition of human P-selectin after 2 hrsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed