BDBM24778 2-methyl-1,4-dihydronaphthalene-1,4-dione::2-methyl-1,4-naphthoquinone, 5::CHEMBL590::Menadione::Menadione (5d)::Menadione (Vitamin K3)::Menadione, 9::Vitamin K3::cid_4055

SMILES CC1=CC(=O)c2ccccc2C1=O

InChI Key InChIKey=MJVAVZPDRWSRRC-UHFFFAOYSA-N

Data  7 KI  38 IC50

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 44 hits for monomerid = 24778   

TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
Federal University Of Rio De Janeiro

Curated by ChEMBL
LigandPNGBDBM24778(2-methyl-1,4-dihydronaphthalene-1,4-dione | 2-meth...)
Affinity DataKi:  400nMAssay Description:Competitive inhibition of human recombinant MAO-B expressed in baculovirus infected insect cells using benzylamine as substrate by Lineweaver-Burk pl...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldehyde oxidase(Homo sapiens (Human))
Washington State University

Curated by ChEMBL
LigandPNGBDBM24778(2-methyl-1,4-dihydronaphthalene-1,4-dione | 2-meth...)
Affinity DataKi:  470nMAssay Description:Competitive inhibition of human liver cytosolic aldehyde oxidase using DACA as substrate assessed as free enzyme by Lineweaver-Burk plot analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetAldehyde oxidase(Homo sapiens (Human))
Washington State University

Curated by ChEMBL
LigandPNGBDBM24778(2-methyl-1,4-dihydronaphthalene-1,4-dione | 2-meth...)
Affinity DataKi:  1.50E+3nMAssay Description:Uncompetitive inhibition of human liver cytosolic aldehyde oxidase using DACA as substrate assessed as enzyme-substrate complex by Lineweaver-Burk pl...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetAldehyde oxidase 1(Cavia porcellus (Guinea pig))
Kermanshah University Of Medical Sciences

LigandPNGBDBM24778(2-methyl-1,4-dihydronaphthalene-1,4-dione | 2-meth...)
Affinity DataKi:  7.23E+3nM IC50:  3.18E+4nMpH: 7.0Assay Description:Guinea pig AO activity was assayed spectrophotometrically using phenanthridine as a substrate at 322 nm. All spectrophotometric determinations were c...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlutathione reductase, mitochondrial(Homo sapiens (Human))
Université

Curated by ChEMBL
LigandPNGBDBM24778(2-methyl-1,4-dihydronaphthalene-1,4-dione | 2-meth...)
Affinity DataKi:  1.21E+4nMAssay Description:Inhibitory concentration against human glutathione reductase (In presence of glutathione disulfide)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlutathione reductase, mitochondrial(Homo sapiens (Human))
Université

Curated by ChEMBL
LigandPNGBDBM24778(2-methyl-1,4-dihydronaphthalene-1,4-dione | 2-meth...)
Affinity DataKi:  1.61E+4nMAssay Description:Inhibitory concentration against human glutathione reductase (In presence of NADPH)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAmine oxidase [flavin-containing] A(Homo sapiens (Human))
Federal University Of Rio De Janeiro

Curated by ChEMBL
LigandPNGBDBM24778(2-methyl-1,4-dihydronaphthalene-1,4-dione | 2-meth...)
Affinity DataKi:  2.60E+4nMAssay Description:Competitive inhibition of human recombinant MAO-A expressed in baculovirus infected insect cells using p-tyramine as substrate by Lineweaver-Burk plo...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAmine oxidase [flavin-containing] A(Homo sapiens (Human))
Federal University Of Rio De Janeiro

Curated by ChEMBL
LigandPNGBDBM24778(2-methyl-1,4-dihydronaphthalene-1,4-dione | 2-meth...)
Affinity DataIC50:  1.02E+4nMAssay 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 DepthDetails ArticlePubMed
TargetAmine oxidase(Homo sapiens (Human))
North-West University

LigandPNGBDBM24778(2-methyl-1,4-dihydronaphthalene-1,4-dione | 2-meth...)
Affinity DataIC50:  3.02E+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 DepthDetails ArticlePubMed
TargetTrypanothione reductase(Trypanosoma cruzi)
Université

Curated by ChEMBL
LigandPNGBDBM24778(2-methyl-1,4-dihydronaphthalene-1,4-dione | 2-meth...)
Affinity DataIC50:  5.50E+4nMAssay Description:Concentration required for inhibition of Trypanothione reductase (TcTR) from Trypanosoma cruzi in the presence of 50 uM TS2 as substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTrypanothione reductase(Trypanosoma cruzi)
Université

Curated by ChEMBL
LigandPNGBDBM24778(2-methyl-1,4-dihydronaphthalene-1,4-dione | 2-meth...)
Affinity DataIC50:  5.50E+4nMAssay Description:Inhibitory activity against Trypanosoma cruzi trypanothione disulfide reductase, assay in presence of 57 microM T(S)2.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetM-phase inducer phosphatase 3(Homo sapiens (Human))
Institut Henri Beaufour

Curated by ChEMBL
LigandPNGBDBM24778(2-methyl-1,4-dihydronaphthalene-1,4-dione | 2-meth...)
Affinity DataIC50:  1.90E+4nMAssay Description:Inhibitory activity against recombinant CDC25CMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetM-phase inducer phosphatase 2(Homo sapiens (Human))
Virginia Polytechnic Institute And State University

Curated by ChEMBL
LigandPNGBDBM24778(2-methyl-1,4-dihydronaphthalene-1,4-dione | 2-meth...)
Affinity DataIC50:  3.38E+3nMAssay Description:Inhibition of histidine-tagged human recombinant Cdc25B catalytic domain expressed in Escherichia coliMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDual specificity protein phosphatase 6(Rattus norvegicus)
Virginia Polytechnic Institute And State University

Curated by ChEMBL
LigandPNGBDBM24778(2-methyl-1,4-dihydronaphthalene-1,4-dione | 2-meth...)
Affinity DataIC50:  2.05E+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 DepthDetails ArticlePubMed
TargetDual specificity protein phosphatase 1(Mus musculus)
Virginia Polytechnic Institute And State University

Curated by ChEMBL
LigandPNGBDBM24778(2-methyl-1,4-dihydronaphthalene-1,4-dione | 2-meth...)
Affinity DataIC50:  2.40E+4nMAssay Description:Inhibition of histidine-tagged mouse MKP1 catalytic domain expressed in human Hela cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
Gyeongsang National University

Curated by ChEMBL
LigandPNGBDBM24778(2-methyl-1,4-dihydronaphthalene-1,4-dione | 2-meth...)
Affinity DataIC50:  1.10E+3nMAssay Description:Inhibition of 2,3 dioxygenaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetUbiquitin carboxyl-terminal hydrolase isozyme L1(Homo sapiens (Human))
Institute For Bio-Medical Research

Curated by ChEMBL
LigandPNGBDBM24778(2-methyl-1,4-dihydronaphthalene-1,4-dione | 2-meth...)
Affinity DataIC50:  2.90E+5nMAssay Description:Inhibition of UCHL1 in human H1299 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetUbiquitin carboxyl-terminal hydrolase isozyme L3(Homo sapiens (Human))
Institute For Bio-Medical Research

Curated by ChEMBL
LigandPNGBDBM24778(2-methyl-1,4-dihydronaphthalene-1,4-dione | 2-meth...)
Affinity DataIC50:  7.10E+4nMAssay Description:Inhibition of UCHL3 in human H1299 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldehyde oxidase 1(Rattus norvegicus)
Pfizer

Curated by ChEMBL
LigandPNGBDBM24778(2-methyl-1,4-dihydronaphthalene-1,4-dione | 2-meth...)
Affinity DataIC50:  190nMAssay Description:Inhibition of rat aldehyde oxidaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldehyde oxidase 1(Oryctolagus cuniculus)
Pfizer

Curated by ChEMBL
LigandPNGBDBM24778(2-methyl-1,4-dihydronaphthalene-1,4-dione | 2-meth...)
Affinity DataIC50:  2.00E+3nMAssay Description:Inhibition of rabbit aldehyde oxidaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldehyde oxidase 1(Macaca fascicularis)
Pfizer

Curated by ChEMBL
LigandPNGBDBM24778(2-methyl-1,4-dihydronaphthalene-1,4-dione | 2-meth...)
Affinity DataIC50:  110nMAssay Description:Inhibition of monkey aldehyde oxidaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldehyde oxidase(Homo sapiens (Human))
Washington State University

Curated by ChEMBL
LigandPNGBDBM24778(2-methyl-1,4-dihydronaphthalene-1,4-dione | 2-meth...)
Affinity DataIC50:  200nMAssay Description:Inhibition of human aldehyde oxidaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetAldehyde oxidase 1(Mus musculus)
Pfizer

Curated by ChEMBL
LigandPNGBDBM24778(2-methyl-1,4-dihydronaphthalene-1,4-dione | 2-meth...)
Affinity DataIC50:  150nMAssay Description:Inhibition of mouse aldehyde oxidaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetM-phase inducer phosphatase 3(Homo sapiens (Human))
Institut Henri Beaufour

Curated by ChEMBL
LigandPNGBDBM24778(2-methyl-1,4-dihydronaphthalene-1,4-dione | 2-meth...)
Affinity DataIC50:  1.88E+4nMAssay Description:Inhibitory concentration for human cell division cycle 25 degree C phosphataseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetM-phase inducer phosphatase 2(Homo sapiens (Human))
Virginia Polytechnic Institute And State University

Curated by ChEMBL
LigandPNGBDBM24778(2-methyl-1,4-dihydronaphthalene-1,4-dione | 2-meth...)
Affinity DataIC50:  2.20E+3nMAssay Description:Inhibition of MBP-fused recombinant wild type CDC25B3 using fluorescein 3,6 diphosphate as substrate measured for 30 mins in presence of 1 mM dithiot...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
Gyeongsang National University

Curated by ChEMBL
LigandPNGBDBM24778(2-methyl-1,4-dihydronaphthalene-1,4-dione | 2-meth...)
Affinity DataIC50:  370nMAssay Description:Inhibition of ascorbic acid/methylene blue activated recombinant human IDO expressed in Escherichia coli using L-Tryptophan as substrate after 60 min...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetM-phase inducer phosphatase 1(Homo sapiens (Human))
Montana State University

Curated by ChEMBL
LigandPNGBDBM24778(2-methyl-1,4-dihydronaphthalene-1,4-dione | 2-meth...)
Affinity DataIC50:  6.90E+3nMAssay Description:Inhibition of recombinant Cdc25A (unknown origin) using OMFP as substrate measured every 30 sec for 10 mins by fluorometric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetM-phase inducer phosphatase 2(Homo sapiens (Human))
Virginia Polytechnic Institute And State University

Curated by ChEMBL
LigandPNGBDBM24778(2-methyl-1,4-dihydronaphthalene-1,4-dione | 2-meth...)
Affinity DataIC50:  3.90E+3nMAssay Description:Inhibition of recombinant Cdc25B (unknown origin) using OMFP as substrate measured every 30 sec for 10 mins by fluorometric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCo-chaperonin GroES(Escherichia coli)
Indiana University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM24778(2-methyl-1,4-dihydronaphthalene-1,4-dione | 2-meth...)
Affinity DataIC50:  2.50E+3nMAssay Description:Inhibition of Escherichia coli GroEL expressed in Escherichia coli DH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThiosulfate sulfurtransferase(Homo sapiens)
Indiana University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM24778(2-methyl-1,4-dihydronaphthalene-1,4-dione | 2-meth...)
Affinity DataIC50:  1.00E+3nMAssay Description:Inhibition of native rhodanese (unknown origin) assessed as reduction in rhodanese enzyme activity after 45 mins by Fe(SCN)3 dye based spectrometric ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCo-chaperonin GroES(Escherichia coli)
Indiana University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM24778(2-methyl-1,4-dihydronaphthalene-1,4-dione | 2-meth...)
Affinity DataIC50:  9.00E+3nMAssay Description:Inhibition of Escherichia coli GroEL expressed in Escherichia coliDH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed a...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target60 kDa heat shock protein, mitochondrial(Homo sapiens)
Indiana University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM24778(2-methyl-1,4-dihydronaphthalene-1,4-dione | 2-meth...)
Affinity DataIC50:  1.50E+4nMAssay Description:Inhibition of human N-terminal octa-His-tagged HSP60 expressed in Escherichia coli Rosetta(DE3) pLysS/human HSP10 expressed in Escherichia coli Roset...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetChaperonin GroEL(Escherichia coli)
Indiana University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM24778(2-methyl-1,4-dihydronaphthalene-1,4-dione | 2-meth...)
Affinity DataIC50: >2.50E+5nMAssay Description:Inhibition of ATPase activity of Escherichia coli GroEL expressed in Escherichia coliDH5alpha incubated for 60 mins using ATP by spectrometric analys...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Michigan State University

LigandPNGBDBM24778(2-methyl-1,4-dihydronaphthalene-1,4-dione | 2-meth...)
Affinity DataIC50:  7.96E+3nMAssay Description:This is a review article. Please point to the original journal.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-synuclein(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM24778(2-methyl-1,4-dihydronaphthalene-1,4-dione | 2-meth...)
Affinity DataIC50:  1.50E+4nMAssay Description:Inhibition of wild type human alpha-synuclein fibrillization expressed in Escherichia coli BL21(DE3)pLysS by thioflavin-T based fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPyruvate kinase PKM(Homo sapiens (Human))
Central University Of Punjab

Curated by ChEMBL
LigandPNGBDBM24778(2-methyl-1,4-dihydronaphthalene-1,4-dione | 2-meth...)
Affinity DataIC50:  1.50E+5nMAssay Description:Inhibition of human N-terminal 6x-His tagged PKM2 expressed Escherichia coli incubated for 60 mins in absence of FBP by LDH-coupled assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetDNA gyrase subunit A(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
John Innes Centre

LigandPNGBDBM24778(2-methyl-1,4-dihydronaphthalene-1,4-dione | 2-meth...)
Affinity DataIC50: >2.00E+5nMAssay Description:Mycobacterium tuberculosis gyrase supercoiling, relaxation, and decatenation assays were carried out as described previously.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProtein-glutamine gamma-glutamyltransferase 2(Homo sapiens (Human))
Duke University Medical Center

LigandPNGBDBM24778(2-methyl-1,4-dihydronaphthalene-1,4-dione | 2-meth...)
Affinity DataIC50:  2.20E+3nMT: 2°CAssay Description:In order to eliminated fluorescence interference, chemicals were subjected to a secondary screening using colorimetric BP incorporation assay. TGase...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPerilipin-5(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM24778(2-methyl-1,4-dihydronaphthalene-1,4-dione | 2-meth...)
Affinity DataIC50:  9.47E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetPerilipin-1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM24778(2-methyl-1,4-dihydronaphthalene-1,4-dione | 2-meth...)
Affinity DataIC50:  7.90E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetUbiquitin carboxyl-terminal hydrolase isozyme L3(Mus musculus (Mouse))
Brigham And Women'S Hospital

LigandPNGBDBM24778(2-methyl-1,4-dihydronaphthalene-1,4-dione | 2-meth...)
Affinity DataIC50:  7.10E+4nMpH: 7.6 T: 2°CAssay Description:Inhibition activity and selectivity for UCH-L1 and UCH-L3.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetUbiquitin carboxyl-terminal hydrolase isozyme L3(Homo sapiens (Human))
Institute For Bio-Medical Research

Curated by ChEMBL
LigandPNGBDBM24778(2-methyl-1,4-dihydronaphthalene-1,4-dione | 2-meth...)
Affinity DataIC50:  7.10E+4nMAssay Description:Inhibition of recombinant human UCHL3 expressed in baculovirus infected Sf9 cells using ubiquitin-AMC as substrate preincubated for 30 mins followed ...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
Gyeongsang National University

Curated by ChEMBL
LigandPNGBDBM24778(2-methyl-1,4-dihydronaphthalene-1,4-dione | 2-meth...)
Affinity DataIC50:  1.10E+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 DepthDetails ArticlePubMed
TargetUbiquitin carboxyl-terminal hydrolase isozyme L1(Mus musculus (Mouse))
Brigham And Women'S Hospital

LigandPNGBDBM24778(2-methyl-1,4-dihydronaphthalene-1,4-dione | 2-meth...)
Affinity DataIC50:  2.90E+5nMpH: 7.6 T: 2°CAssay Description:Inhibition activity and selectivity for UCH-L1 and UCH-L3.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed