BDBM24777 5-hydroxy-1,4-dihydronaphthalene-1,4-dione::5-hydroxy-1,4-naphthoquinone, 4::CHEMBL43612::Juglone::Juglone (6a)

SMILES c1cc2c(c(c1)O)C(=O)C=CC2=O

InChI Key InChIKey=KQPYUDDGWXQXHS-UHFFFAOYSA-N

Data  22 IC50  2 EC50

PDB links: 6 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 = 24777   

TargetPeptidyl-prolyl cis-trans isomerase NIMA-interacting 1(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM24777(5-hydroxy-1,4-dihydronaphthalene-1,4-dione | CHEMB...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of recombinant N-terminal His6-tagged human Pin1 using Suc-Ala-Glu-cis-Pro-Phe-4-nitroanilide as substrate preincubated for 30 mins follow...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
TargetProtein disulfide-isomerase A4(Human)
National Taiwan University

Curated by ChEMBL
LigandPNGBDBM24777(5-hydroxy-1,4-dihydronaphthalene-1,4-dione | CHEMB...)
Affinity DataIC50: 3.16E+3nMAssay Description:Inhibition of human recombinant ERp72 assessed as inhibition of E-GSH formation using Di-E-GSSG as substrate measured for 60 mins in presence of DTT ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2024
Entry Details
PubMed
TargetProtein disulfide-isomerase A3(Human)
National Taiwan University

Curated by ChEMBL
LigandPNGBDBM24777(5-hydroxy-1,4-dihydronaphthalene-1,4-dione | CHEMB...)
Affinity DataIC50: 2.40E+3nMAssay Description:Inhibition of human recombinant ERp57 assessed as inhibition of E-GSH formation using Di-E-GSSG as substrate measured for 60 mins in presence of DTT ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2024
Entry Details
PubMed
TargetProtein disulfide-isomerase(Human)
National Taiwan University

Curated by ChEMBL
LigandPNGBDBM24777(5-hydroxy-1,4-dihydronaphthalene-1,4-dione | CHEMB...)
Affinity DataIC50: 1.10E+3nMAssay Description:Inhibition of human recombinant PDI assessed as inhibition of E-GSH formation using Di-E-GSSG as substrate measured for 60 mins in presence of DTT by...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2024
Entry Details
PubMed
TargetProtein disulfide-isomerase(Human)
National Taiwan University

Curated by ChEMBL
LigandPNGBDBM24777(5-hydroxy-1,4-dihydronaphthalene-1,4-dione | CHEMB...)
Affinity DataIC50: 630nMAssay Description:Inhibition of PDI in human platelets assessed as inhibition of E-GSH formation using Di-E-GSSG as substrate measured for 60 mins in presence of DTT b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2024
Entry Details
PubMed
TargetPeptidyl-prolyl cis-trans isomerase NIMA-interacting 1(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM24777(5-hydroxy-1,4-dihydronaphthalene-1,4-dione | CHEMB...)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of human Pin1 using Suc-AEPF-NH-Np as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMed
TargetAurora kinase B(Human)
Lahore University of Management Sciences

Curated by ChEMBL
LigandPNGBDBM24777(5-hydroxy-1,4-dihydronaphthalene-1,4-dione | CHEMB...)
Affinity DataIC50: 620nMAssay Description:Inhibition of Aurora B (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetAurora kinase A(Human)
Lahore University of Management Sciences

Curated by ChEMBL
LigandPNGBDBM24777(5-hydroxy-1,4-dihydronaphthalene-1,4-dione | CHEMB...)
Affinity DataIC50: 50nMAssay Description:Inhibition of Aurora A (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetDNA topoisomerase 1(Human)
National Research Institute of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM24777(5-hydroxy-1,4-dihydronaphthalene-1,4-dione | CHEMB...)
Affinity DataIC50: 8.26E+3nMAssay Description:Inhibition of DNA topoisomerase 1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/20/2022
Entry Details Article
PubMed
LigandPNGBDBM24777(5-hydroxy-1,4-dihydronaphthalene-1,4-dione | CHEMB...)
Affinity DataEC50:  1.70E+3nMAssay Description:Activation of human TRPA1 expressed in HEK293 cells assessed as increase in calcium level by fluo-4 dye based plate reader analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
LigandPNGBDBM24777(5-hydroxy-1,4-dihydronaphthalene-1,4-dione | CHEMB...)
Affinity DataEC50:  1.70E+3nMAssay Description:Activation of human TRPA1 expressed in HEK293 cells assessed as increase in calcium level by fluo-4 dye based plate reader analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetPeptidyl-prolyl cis-trans isomerase NIMA-interacting 1(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM24777(5-hydroxy-1,4-dihydronaphthalene-1,4-dione | CHEMB...)
Affinity DataIC50: 1.08E+4nMAssay Description:Inhibition of recombinant human Pin1 (Met1 to Glu163 residues) expressed in Escherichia coli using Suc-Ala-Glu-cis-Pro-Phe-4-nitroanilide as substrat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMed
TargetIndoleamine 2,3-dioxygenase 1(Human)
Bryn Mawr College

LigandPNGBDBM24777(5-hydroxy-1,4-dihydronaphthalene-1,4-dione | CHEMB...)
Affinity DataIC50: 1.00E+3nMpH: 6.5 T: 2°CAssay Description:The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2008
Entry Details Article
PubMed
TargetPeptidyl-prolyl cis-trans isomerase NIMA-interacting 1(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM24777(5-hydroxy-1,4-dihydronaphthalene-1,4-dione | CHEMB...)
Affinity DataIC50: 5.90E+3nMAssay Description:Inhibition of human N-terminal His6-tagged Pin1 PPIase activity expressed in Escherichia coli BL21 using Suc-Ala-Glu-cis-Pro-Phe-4-nitroanilide as su...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetPeptidyl-prolyl cis-trans isomerase NIMA-interacting 1(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM24777(5-hydroxy-1,4-dihydronaphthalene-1,4-dione | CHEMB...)
Affinity DataIC50: 1.08E+4nMAssay Description:Inhibition of Pin1 (unknown origin) assessed as reduction in peptidyl-prolyl isomerase activity incubated for 30 mins using Suc-Ala-Glu-cis-Pro-Phe-4...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/19/2020
Entry Details Article
PubMed
TargetDual specificity protein phosphatase 1(Mouse)
Virginia Polytechnic Institute and State University

Curated by ChEMBL
LigandPNGBDBM24777(5-hydroxy-1,4-dihydronaphthalene-1,4-dione | CHEMB...)
Affinity DataIC50: 1.30E+4nMAssay Description:Inhibition of histidine-tagged mouse MKP1 catalytic domain expressed in human Hela cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetDual specificity protein phosphatase 6(Rat)
Virginia Polytechnic Institute and State University

Curated by ChEMBL
LigandPNGBDBM24777(5-hydroxy-1,4-dihydronaphthalene-1,4-dione | CHEMB...)
Affinity DataIC50: 1.24E+4nMAssay Description:Inhibition of histidine-tagged rat recombinant MKP3 catalytic domain expressed in Escherichia coli BL21(DE3)More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetM-phase inducer phosphatase 2(Human)
Virginia Polytechnic Institute and State University

Curated by ChEMBL
LigandPNGBDBM24777(5-hydroxy-1,4-dihydronaphthalene-1,4-dione | CHEMB...)
Affinity DataIC50: 1.98E+3nMAssay Description:Inhibition of histidine-tagged human recombinant Cdc25B catalytic domain expressed in Escherichia coliMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetPeptidyl-prolyl cis-trans isomerase NIMA-interacting 1(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM24777(5-hydroxy-1,4-dihydronaphthalene-1,4-dione | CHEMB...)
Affinity DataIC50: 1.01E+4nMAssay Description:Inhibition of Pin1 (unknown origin) using Suc-Ala-Glu-Pro-Phe-4-nitroanilide as substrate after 30 mins by protease-coupled assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/17/2016
Entry Details Article
PubMed
Target5-lipoxygenase(Bovine)
WestfäLische Wilhelms-UniversitäT MüNster

Curated by ChEMBL
LigandPNGBDBM24777(5-hydroxy-1,4-dihydronaphthalene-1,4-dione | CHEMB...)
Affinity DataIC50: 1.70E+4nMAssay Description:5-LO inhibitory activity was determined by inhibition of LTB4 biosynthesis in bovine polymorphonuclear leukocytes (PMNL)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
Target3-hydroxyacyl-[acyl-carrier-protein] dehydratase FabZ(Francisella tularensis)
Brookhaven National Laboratory

LigandPNGBDBM24777(5-hydroxy-1,4-dihydronaphthalene-1,4-dione | CHEMB...)
Affinity DataIC50: 5.40E+3nMpH: 7.0 T: 2°CAssay Description:The enzymatic activities of FtFabZ and YpFabZ were determined via the reportedspectrophotometric method using the substrate analogue crotonoyl-CoA.7 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/26/2016
Entry Details Article
PubMed
Target3-hydroxyacyl-[acyl-carrier-protein] dehydratase FabZ [1-175](Yersinia pestis)
Brookhaven National Laboratory

LigandPNGBDBM24777(5-hydroxy-1,4-dihydronaphthalene-1,4-dione | CHEMB...)
Affinity DataIC50: 5.30E+3nMpH: 7.0 T: 2°CAssay Description:The enzymatic activities of FtFabZ and YpFabZ were determined via the reportedspectrophotometric method using the substrate analogue crotonoyl-CoA.7 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/26/2016
Entry Details Article
PubMed
TargetAmine oxidase(Human)
North-West University

LigandPNGBDBM24777(5-hydroxy-1,4-dihydronaphthalene-1,4-dione | CHEMB...)
Affinity DataIC50: 4.36E+3nMAssay Description:The protocol for measuring IC50 values for the inhibition of MAO-A and MAO-B has been reported in detail in a recent publication (26). The recombinan...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/2/2016
Entry Details Article
PubMed
TargetAmine oxidase [flavin-containing] A(Human)
North-West University

LigandPNGBDBM24777(5-hydroxy-1,4-dihydronaphthalene-1,4-dione | CHEMB...)
Affinity DataIC50: 1.71E+3nMAssay Description:The protocol for measuring IC50 values for the inhibition of MAO-A and MAO-B has been reported in detail in a recent publication (26). The recombinan...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/2/2016
Entry Details Article
PubMed