BDBM50192743 3,4-Dihydroxybenzaldehyde::CHEBI:50205::Protocatechualdehyde

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

InChI Key InChIKey=IBGBGRVKPALMCQ-UHFFFAOYSA-N

Data  3 IC50  1 Kd

PDB links: 7 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 4 hits for monomerid = 50192743   

TargetPolyphenol oxidase 2(White button mushroom)
Institute For Theoretical Medicine

Curated by ChEMBL
LigandPNGBDBM50192743(CHEBI:50205 | 3,4-Dihydroxybenzaldehyde | Protocat...)
Affinity DataIC50: 2.89E+3nMAssay Description:Non-competitive inhibition of mushroom tyrosinaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/10/2016
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(MERS-CoV)
University of Illinois At Chicago

Curated by ChEMBL
LigandPNGBDBM50192743(CHEBI:50205 | 3,4-Dihydroxybenzaldehyde | Protocat...)
Affinity DataKd:  2.20E+5nMAssay Description:Binding affinity to MERS-CoV papain-like protease by SPR analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(MERS-CoV)
University of Illinois At Chicago

Curated by ChEMBL
LigandPNGBDBM50192743(CHEBI:50205 | 3,4-Dihydroxybenzaldehyde | Protocat...)
Affinity DataIC50: 2.39E+5nMAssay Description:Inhibition of MERS-CoV papain-like protease using Z-Arg-Leu-Arg-Gly-Gly-AMC as substrate preincubated for 5 mins followed by substrate addition and m...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMed
TargetProstaglandin G/H synthase 2(Human)
National Institute of Pharmaceutical Education and Research

Curated by ChEMBL
LigandPNGBDBM50192743(CHEBI:50205 | 3,4-Dihydroxybenzaldehyde | Protocat...)
Affinity DataIC50: 1.97E+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