BDBM50100861 3,4-Dihydroxybenzoate, VIII::3,4-dihydroxybenzoic acid::4,5-Dihydroxybenzoic acid::4-Carboxy-1,2-dihydroxybenzene::CHEMBL37537::Protocatechuic acid::Protocatechuic acid (M1)::Protocatehuic acid::cid_72

SMILES OC(=O)c1ccc(O)c(O)c1

InChI Key InChIKey=YQUVCSBJEUQKSH-UHFFFAOYSA-N

Data  13 KI  11 IC50

PDB links: 30 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 24 hits for monomerid = 50100861   

TargetCarbonic anhydrase 2(Homo sapiens (Human))
University Of Calgary

Curated by ChEMBL
LigandPNGBDBM50100861(3,4-Dihydroxybenzoate, VIII | 3,4-dihydroxybenzoic...)
Affinity DataKi:  470nMAssay Description:Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 14(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50100861(3,4-Dihydroxybenzoate, VIII | 3,4-dihydroxybenzoic...)
Affinity DataKi:  690nMAssay Description:Inhibition of human carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration stopped-flow assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
University Of Calgary

Curated by ChEMBL
LigandPNGBDBM50100861(3,4-Dihydroxybenzoate, VIII | 3,4-dihydroxybenzoic...)
Affinity DataKi:  1.08E+3nMAssay Description:Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 4(Homo sapiens (Human))
Atat£Rk University

Curated by ChEMBL
LigandPNGBDBM50100861(3,4-Dihydroxybenzoate, VIII | 3,4-dihydroxybenzoic...)
Affinity DataKi:  2.45E+3nMAssay Description:Inhibition of human CA4 using 4NPA as substrate for 3 mins by Lineweaver burk plot analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase(Dicentrarchus labrax)
Gumushane University

Curated by ChEMBL
LigandPNGBDBM50100861(3,4-Dihydroxybenzoate, VIII | 3,4-dihydroxybenzoic...)
Affinity DataKi:  3.21E+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 12(Homo sapiens (Human))
University Of Calgary

Curated by ChEMBL
LigandPNGBDBM50100861(3,4-Dihydroxybenzoate, VIII | 3,4-dihydroxybenzoic...)
Affinity DataKi:  4.09E+3nMAssay Description:Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 9(Homo sapiens (Human))
University Of Calgary

Curated by ChEMBL
LigandPNGBDBM50100861(3,4-Dihydroxybenzoate, VIII | 3,4-dihydroxybenzoic...)
Affinity DataKi:  4.45E+3nMAssay Description:Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Atat£Rk University

Curated by ChEMBL
LigandPNGBDBM50100861(3,4-Dihydroxybenzoate, VIII | 3,4-dihydroxybenzoic...)
Affinity DataKi:  4.72E+3nMAssay Description:Inhibition of human CA6 using 4NPA as substrate for 3 mins by Lineweaver burk plot analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Atat£Rk University

Curated by ChEMBL
LigandPNGBDBM50100861(3,4-Dihydroxybenzoate, VIII | 3,4-dihydroxybenzoic...)
Affinity DataKi:  4.72E+3nMAssay Description:Inhibition of human CA6 using 4-nitrophenylacetate substrate by esterase assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProlyl 4-hydroxylase subunit alpha-1(Gallus gallus (Chicken))
University of Oulu

LigandPNGBDBM50100861(3,4-Dihydroxybenzoate, VIII | 3,4-dihydroxybenzoic...)
Affinity DataKi:  5.00E+3nMAssay Description:Inhibition assay using procollagen-prolin, 2-oxoglutarate 4-dioxygenase.More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCarbonic anhydrase 7(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50100861(3,4-Dihydroxybenzoate, VIII | 3,4-dihydroxybenzoic...)
Affinity DataKi:  7.87E+3nMAssay Description:Inhibition of human carbonic anhydrase 7 preincubated for 15 mins by CO2 hydration stopped-flow assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target3-dehydroquinate synthase(Escherichia coli (strain K12))
Michigan State University

Curated by ChEMBL
LigandPNGBDBM50100861(3,4-Dihydroxybenzoate, VIII | 3,4-dihydroxybenzoic...)
Affinity DataKi:  4.40E+4nMAssay Description:Inhibition constant for binding to Co2+ form of 3-dehydroquinate synthase (DHQ) purified from E. coliMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target3-dehydroquinate synthase(Escherichia coli (strain K12))
Michigan State University

Curated by ChEMBL
LigandPNGBDBM50100861(3,4-Dihydroxybenzoate, VIII | 3,4-dihydroxybenzoic...)
Affinity DataKi:  6.50E+4nMAssay Description:Inhibition constant for binding to Zn2+ form of 3-dehydroquinate synthase (DHQ) purified from E. coliMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAnthrax toxin receptor 2(Homo sapiens)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50100861(3,4-Dihydroxybenzoate, VIII | 3,4-dihydroxybenzoic...)
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
TargetPolyphenol oxidase 2(Agaricus bisporus (Common mushroom))
Kinki University

Curated by ChEMBL
LigandPNGBDBM50100861(3,4-Dihydroxybenzoate, VIII | 3,4-dihydroxybenzoic...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of mushroom tyrosinase using L-tyrosine as substrate preincubated for 10 mins followed by enzyme addition measured after 20 mins by microp...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydroorotate dehydrogenase (fumarate)(Leishmania major)
University Of S£O Paulo

Curated by ChEMBL
LigandPNGBDBM50100861(3,4-Dihydroxybenzoate, VIII | 3,4-dihydroxybenzoic...)
Affinity DataIC50:  1.00E+6nMAssay Description:Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydroorotate dehydrogenase (fumarate)(Leishmania major)
University Of S£O Paulo

Curated by ChEMBL
LigandPNGBDBM50100861(3,4-Dihydroxybenzoate, VIII | 3,4-dihydroxybenzoic...)
Affinity DataIC50:  9.22E+5nMAssay Description:Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-glucosidase MAL12(Saccharomyces cerevisiae)
Kinki University

LigandPNGBDBM50100861(3,4-Dihydroxybenzoate, VIII | 3,4-dihydroxybenzoic...)
Affinity DataIC50: >3.00E+5nMpH: 7.0 T: 2°CAssay Description:α-glucosidase (25 μL, 0.2 U/mL), 25 μL of various concentrations of samples, and 175 μL of 50 mM sodium phosphate buffer (pH 7.0)...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-glucosidase MAL12(Saccharomyces cerevisiae)
Kinki University

LigandPNGBDBM50100861(3,4-Dihydroxybenzoate, VIII | 3,4-dihydroxybenzoic...)
Affinity DataIC50:  8.51E+4nMAssay Description:The assay was performed using isolated phenolics from maize, and inhibition was determined according to previously described method.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetXanthine dehydrogenase/oxidase(Bos taurus (Bovine))
Srtm University

LigandPNGBDBM50100861(3,4-Dihydroxybenzoate, VIII | 3,4-dihydroxybenzoic...)
Affinity DataIC50:  5.80E+3nMpH: 7.6 T: 2°CAssay Description:Inhibition of xanthine oxidase (XO) by each isolated phenolics was measured by following the decrease in the uric acid formation at 293nm at 25°...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-(1,3)-fucosyltransferase 7(Homo sapiens (Human))
Schering-Plough Research Institute

LigandPNGBDBM50100861(3,4-Dihydroxybenzoate, VIII | 3,4-dihydroxybenzoic...)
Affinity DataIC50:  1.37E+5nMpH: 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
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))TBA
LigandPNGBDBM50100861(3,4-Dihydroxybenzoate, VIII | 3,4-dihydroxybenzoic...)
Affinity DataIC50:  2.54E+4nMAssay Description:Inhibition of COX-2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetM18 aspartyl aminopeptidase(Plasmodium falciparum 3D7)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50100861(3,4-Dihydroxybenzoate, VIII | 3,4-dihydroxybenzoic...)
Affinity DataIC50:  479nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetProcathepsin L(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50100861(3,4-Dihydroxybenzoate, VIII | 3,4-dihydroxybenzoic...)
Affinity DataIC50: >5.96E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay