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 c1cc(c(cc1C(=O)O)O)O

InChI Key InChIKey=YQUVCSBJEUQKSH-UHFFFAOYSA-N

Data  13 KI  11 IC50

PDB links: 32 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 24 hits for monomerid = 50100861   

TargetProcathepsin L(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50100861(Protocatechuic acid (M1) | Protocatechuic acid | 3...)
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 Depth
Date in BDB:
6/5/2011
Entry Details
PCBioAssay
TargetProstaglandin G/H synthase 2(Human)
National Institute of Pharmaceutical Education and Research

Curated by ChEMBL
LigandPNGBDBM50100861(Protocatechuic acid (M1) | Protocatechuic acid | 3...)
Affinity DataIC50: 2.54E+4nMAssay Description:Inhibition of COX-2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMed
TargetAnthrax toxin receptor 2(Human)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50100861(Protocatechuic acid (M1) | Protocatechuic acid | 3...)
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 Depth
Date in BDB:
8/31/2020
Entry Details Article
PubMed
TargetPolyphenol oxidase 2(White button mushroom)
Kinki University

Curated by ChEMBL
LigandPNGBDBM50100861(Protocatechuic acid (M1) | Protocatechuic acid | 3...)
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 Depth
Date in BDB:
9/2/2020
Entry Details Article
PubMed
TargetDihydroorotate dehydrogenase (fumarate)(Leishmania major)
University of S£O Paulo

Curated by ChEMBL
LigandPNGBDBM50100861(Protocatechuic acid (M1) | Protocatechuic acid | 3...)
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 Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
TargetDihydroorotate dehydrogenase (fumarate)(Leishmania major)
University of S£O Paulo

Curated by ChEMBL
LigandPNGBDBM50100861(Protocatechuic acid (M1) | Protocatechuic acid | 3...)
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 Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
TargetM18 aspartyl aminopeptidase(Plasmodium falciparum (isolate 3D7))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50100861(Protocatechuic acid (M1) | Protocatechuic acid | 3...)
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 Depth
Date in BDB:
6/5/2011
Entry Details
PCBioAssay
TargetAlpha-glucosidase MAL12(Baker's yeast)
Kinki University

LigandPNGBDBM50100861(Protocatechuic acid (M1) | Protocatechuic acid | 3...)
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 Depth
Date in BDB:
8/21/2017
Entry Details Article
PubMed
TargetAlpha-glucosidase MAL12(Baker's yeast)
Kinki University

LigandPNGBDBM50100861(Protocatechuic acid (M1) | Protocatechuic acid | 3...)
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 Depth
Date in BDB:
4/24/2014
Entry Details Article
PubMed
TargetXanthine dehydrogenase/oxidase(Bovine)
Srtm University

LigandPNGBDBM50100861(Protocatechuic acid (M1) | Protocatechuic acid | 3...)
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 Depth
Date in BDB:
4/24/2014
Entry Details Article
PubMed
TargetAlpha-(1,3)-fucosyltransferase 7(Human)
Schering-Plough Research Institute

LigandPNGBDBM50100861(Protocatechuic acid (M1) | Protocatechuic acid | 3...)
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 Depth
Date in BDB:
9/10/2012
Entry Details Article
PubMed
TargetCarbonic anhydrase 2(Human)
University of Calgary

Curated by ChEMBL
LigandPNGBDBM50100861(Protocatechuic acid (M1) | Protocatechuic acid | 3...)
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 Depth
Date in BDB:
8/23/2011
Entry Details Article
PubMed
TargetCarbonic anhydrase 14(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50100861(Protocatechuic acid (M1) | Protocatechuic acid | 3...)
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 Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetCarbonic anhydrase 1(Human)
University of Calgary

Curated by ChEMBL
LigandPNGBDBM50100861(Protocatechuic acid (M1) | Protocatechuic acid | 3...)
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 Depth
Date in BDB:
8/23/2011
Entry Details Article
PubMed
TargetCarbonic anhydrase 4(Human)
Ataturk University

Curated by ChEMBL
LigandPNGBDBM50100861(Protocatechuic acid (M1) | Protocatechuic acid | 3...)
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 Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetCarbonic anhydrase(European seabass)
Gumushane University

Curated by ChEMBL
LigandPNGBDBM50100861(Protocatechuic acid (M1) | Protocatechuic acid | 3...)
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 Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMed
TargetCarbonic anhydrase 12(Human)
University of Calgary

Curated by ChEMBL
LigandPNGBDBM50100861(Protocatechuic acid (M1) | Protocatechuic acid | 3...)
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 Depth
Date in BDB:
8/23/2011
Entry Details Article
PubMed
TargetCarbonic anhydrase 9(Human)
University of Calgary

Curated by ChEMBL
LigandPNGBDBM50100861(Protocatechuic acid (M1) | Protocatechuic acid | 3...)
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 Depth
Date in BDB:
8/23/2011
Entry Details Article
PubMed
TargetCarbonic anhydrase 6(Human)
Gumushane University

Curated by ChEMBL
LigandPNGBDBM50100861(Protocatechuic acid (M1) | Protocatechuic acid | 3...)
Affinity DataKi:  4.72E+3nMAssay Description:Inhibition of human CA6 using 4-nitrophenylacetate substrate by esterase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMed
TargetCarbonic anhydrase 6(Human)
Gumushane University

Curated by ChEMBL
LigandPNGBDBM50100861(Protocatechuic acid (M1) | Protocatechuic acid | 3...)
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 Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetProlyl 4-hydroxylase subunit alpha-1(Chicken)
University of Oulu

LigandPNGBDBM50100861(Protocatechuic acid (M1) | Protocatechuic acid | 3...)
Affinity DataKi:  5.00E+3nMAssay Description:Inhibition assay using procollagen-prolin, 2-oxoglutarate 4-dioxygenase.More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/21/2013
Entry Details
PubMed
TargetCarbonic anhydrase 7(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50100861(Protocatechuic acid (M1) | Protocatechuic acid | 3...)
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 Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
Target3-dehydroquinate synthase(Escherichia coli (strain K12))
Michigan State University

Curated by ChEMBL
LigandPNGBDBM50100861(Protocatechuic acid (M1) | Protocatechuic acid | 3...)
Affinity DataKi:  4.40E+4nMAssay Description:Inhibition constant for binding to Co2+ form of 3-dehydroquinate synthase (DHQ) purified from Escherichia coliMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
Target3-dehydroquinate synthase(Escherichia coli (strain K12))
Michigan State University

Curated by ChEMBL
LigandPNGBDBM50100861(Protocatechuic acid (M1) | Protocatechuic acid | 3...)
Affinity DataKi:  6.50E+4nMAssay Description:Inhibition constant for binding to Zn2+ form of 3-dehydroquinate synthase (DHQ) purified from Escherichia coliMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed