BDBM50236983 2-Hydroxy-cyclohepta-2,4,6-trienone::2-hydroxycyclohepta-2,4,6-trienone::CHEMBL121188::tropolone

SMILES C1=CC=C(C(=O)C=C1)O

InChI Key InChIKey=MDYOLVRUBBJPFM-UHFFFAOYSA-N

Data  8 KI  9 IC50

PDB links: 5 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50236983   

TargetPolyphenol oxidase 2(White button mushroom)
Sun Yat-Sen University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50236983BDBM50236983(2-hydroxycyclohepta-2,4,6-trienone | tropolone | 2...)
Affinity DataIC50: 400nMAssay Description:Inhibition of mushroom tyrosinaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetPolyphenol oxidase 2(White button mushroom)
Sun Yat-Sen University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50236983BDBM50236983(2-hydroxycyclohepta-2,4,6-trienone | tropolone | 2...)
Affinity DataIC50: 400nMAssay Description:Inhibition of mushroom tyrosinaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMed
TargetPolyphenol oxidase 2(White button mushroom)
Sun Yat-Sen University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50236983BDBM50236983(2-hydroxycyclohepta-2,4,6-trienone | tropolone | 2...)
Affinity DataIC50: 400nMAssay Description:Inhibition of mushroom tyrosinase after 10 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2011
Entry Details Article
PubMed
TargetPolyphenol oxidase 2(White button mushroom)
Sun Yat-Sen University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50236983BDBM50236983(2-hydroxycyclohepta-2,4,6-trienone | tropolone | 2...)
Affinity DataIC50: 400nMAssay Description:Inhibition of mushroom tyrosinaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2010
Entry Details Article
PubMed
TargetDopamine beta-hydroxylase(Human)
City University of New York

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50236983BDBM50236983(2-hydroxycyclohepta-2,4,6-trienone | tropolone | 2...)
Affinity DataIC50: 2.00E+3nMAssay Description:Inhibition of dopamine beta-oxygenase (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/3/2020
Entry Details Article
PubMed
TargetCarboxypeptidase A1(Bovine)
Osaka Organic Chemical Industry

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50236983BDBM50236983(2-hydroxycyclohepta-2,4,6-trienone | tropolone | 2...)
Affinity DataIC50: 2.73E+3nMAssay Description:Inhibition of Bos taurus (bovine) pancrease carboxypeptidase A after 15 minMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/31/2020
Entry Details Article
PubMed
TargetPolyphenol oxidase 4(Agaricus bisporus)
Univ. Grenoble Alpes

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50236983BDBM50236983(2-hydroxycyclohepta-2,4,6-trienone | tropolone | 2...)
Affinity DataKi:  8.00E+3nMAssay Description:Binding affinity to mushroom Tyrosinase using L-DOPA as substrate assessed as inhibition constant by Michaelis-Menten analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetCollagenase ColG(Hathewaya histolytica)
Osaka Organic Chemical Industry

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50236983BDBM50236983(2-hydroxycyclohepta-2,4,6-trienone | tropolone | 2...)
Affinity DataIC50: 4.68E+4nMAssay Description:Inhibition of Clostridium histolyticum collagenase after 15 minMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/31/2020
Entry Details Article
PubMed
TargetThermolysin(Bacillus thermoproteolyticus)
Osaka Organic Chemical Industry

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50236983BDBM50236983(2-hydroxycyclohepta-2,4,6-trienone | tropolone | 2...)
Affinity DataIC50: 7.11E+4nMAssay Description:Inhibition of Bacillus thermoproteolyticus thermolysin after 15 minMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/31/2020
Entry Details Article
PubMed
TargetCarbonic anhydrase 2(Human)
"G. d'Annunzio" University of Chieti-Pescara

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50236983BDBM50236983(2-hydroxycyclohepta-2,4,6-trienone | tropolone | 2...)
Affinity DataKi: >1.00E+5nMAssay Description:Inhibition of human CA-II incubated for 15 mins by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetCarbonic anhydrase 9(Human)
"G. d'Annunzio" University of Chieti-Pescara

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50236983BDBM50236983(2-hydroxycyclohepta-2,4,6-trienone | tropolone | 2...)
Affinity DataKi: >1.00E+5nMAssay Description:Inhibition of human CA-IX incubated for 15 mins by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed
TargetCarbonic anhydrase 5A, mitochondrial(Human)
"G. d'Annunzio" University of Chieti-Pescara

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50236983BDBM50236983(2-hydroxycyclohepta-2,4,6-trienone | tropolone | 2...)
Affinity DataKi: >1.00E+5nMAssay Description:Inhibition of human CA-VA incubated for 15 mins by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed
TargetCarbonic anhydrase 12(Human)
"G. d'Annunzio" University of Chieti-Pescara

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50236983BDBM50236983(2-hydroxycyclohepta-2,4,6-trienone | tropolone | 2...)
Affinity DataKi: >1.00E+5nMAssay Description:Inhibition of human CA-XII incubated for 15 mins by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed
TargetCarbonic anhydrase 1(Human)
"G. d'Annunzio" University of Chieti-Pescara

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50236983BDBM50236983(2-hydroxycyclohepta-2,4,6-trienone | tropolone | 2...)
Affinity DataKi: >1.00E+5nMAssay Description:Inhibition of human CA-I incubated for 15 mins by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed
TargetCarbonic anhydrase 7(Human)
"G. d'Annunzio" University of Chieti-Pescara

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50236983BDBM50236983(2-hydroxycyclohepta-2,4,6-trienone | tropolone | 2...)
Affinity DataKi: >1.00E+5nMAssay Description:Inhibition of human CA-VII incubated for 15 mins by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed
Target72 kDa type IV collagenase(Human)
University of California

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50236983BDBM50236983(2-hydroxycyclohepta-2,4,6-trienone | tropolone | 2...)
Affinity DataIC50: 1.46E+5nMAssay Description:Inhibition of human recombinant MMP2 after 30 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2011
Entry Details Article
PubMed
TargetCarbonic anhydrase 2(Human)
"G. d'Annunzio" University of Chieti-Pescara

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50236983BDBM50236983(2-hydroxycyclohepta-2,4,6-trienone | tropolone | 2...)
Affinity DataKi:  1.35E+6nMAssay Description:Inhibition of wild-type human CA-II using p-nitrophenylacetate as substrate preincubated for 15 mins followed by substrate addition measured for 20 m...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMedPDB3D3D Structure (crystal)