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: 33 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   

TargetCarbonic anhydrase 2(Human)
University of Calgary

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50100861BDBM50100861(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
TargetM18 aspartyl aminopeptidase(Plasmodium falciparum (isolate 3D7))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 50100861BDBM50100861(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
TargetCarbonic anhydrase 14(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50100861BDBM50100861(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
LigandChemical structure of BindingDB Monomer ID 50100861BDBM50100861(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
LigandChemical structure of BindingDB Monomer ID 50100861BDBM50100861(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
LigandChemical structure of BindingDB Monomer ID 50100861BDBM50100861(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
LigandChemical structure of BindingDB Monomer ID 50100861BDBM50100861(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
LigandChemical structure of BindingDB Monomer ID 50100861BDBM50100861(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
LigandChemical structure of BindingDB Monomer ID 50100861BDBM50100861(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
LigandChemical structure of BindingDB Monomer ID 50100861BDBM50100861(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

LigandChemical structure of BindingDB Monomer ID 50100861BDBM50100861(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
TargetXanthine dehydrogenase/oxidase(Bovine)
Srtm University

LigandChemical structure of BindingDB Monomer ID 50100861BDBM50100861(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
TargetCarbonic anhydrase 7(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50100861BDBM50100861(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
TargetProstaglandin G/H synthase 2(Human)
National Institute of Pharmaceutical Education and Research

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50100861BDBM50100861(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
Target3-dehydroquinate synthase(Escherichia coli (strain K12))
Michigan State University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50100861BDBM50100861(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
TargetProcathepsin L(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 50100861BDBM50100861(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
Target3-dehydroquinate synthase(Escherichia coli (strain K12))
Michigan State University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50100861BDBM50100861(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
TargetAlpha-glucosidase MAL12(Baker's yeast)
Srtm University

LigandChemical structure of BindingDB Monomer ID 50100861BDBM50100861(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
TargetPolyphenol oxidase 2(White button mushroom)
Kinki University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50100861BDBM50100861(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
TargetAlpha-(1,3)-fucosyltransferase 7(Human)
Schering-Plough Research Institute

LigandChemical structure of BindingDB Monomer ID 50100861BDBM50100861(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
TargetAlpha-glucosidase MAL12(Baker's yeast)
Srtm University

LigandChemical structure of BindingDB Monomer ID 50100861BDBM50100861(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
TargetAnthrax toxin receptor 2(Human)
Harvard Medical School

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50100861BDBM50100861(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
TargetDihydroorotate dehydrogenase (fumarate)(Leishmania major)
University of S£O Paulo

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50100861BDBM50100861(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
TargetDihydroorotate dehydrogenase (fumarate)(Leishmania major)
University of S£O Paulo

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50100861BDBM50100861(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