BDBM50012070 5-Hydroxy-2-methyl-[1,4]naphthoquinone::5-hydroxy-2-methylnaphthalene-1,4-dione::CHEMBL295316::Plum-bagin::Plumbagin (6b)::Pumbagin::plumbagin

SMILES CC1=CC(=O)c2c(O)cccc2C1=O

InChI Key InChIKey=VCMMXZQDRFWYSE-UHFFFAOYSA-N

Data  21 IC50  2 Kd  2 EC50

PDB links: 1 PDB ID matches 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 25 hits for monomerid = 50012070   

TargetAmine oxidase [flavin-containing] A(Homo sapiens (Human))
North-West University

LigandPNGBDBM50012070(5-Hydroxy-2-methyl-[1,4]naphthoquinone | 5-hydroxy...)
Affinity DataIC50:  4.91E+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
TargetReplicase polyprotein 1ab(2019-nCoV)
Michigan State University

LigandPNGBDBM50012070(5-Hydroxy-2-methyl-[1,4]naphthoquinone | 5-hydroxy...)
Affinity DataIC50:  1.71E+4nMAssay Description:This is a review article. Please point to the original journal.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTrypanothione reductase(Trypanosoma cruzi)
Université

Curated by ChEMBL
LigandPNGBDBM50012070(5-Hydroxy-2-methyl-[1,4]naphthoquinone | 5-hydroxy...)
Affinity DataIC50:  2.80E+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
LigandPNGBDBM50012070(5-Hydroxy-2-methyl-[1,4]naphthoquinone | 5-hydroxy...)
Affinity DataIC50:  2.80E+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
TargetHistone acetyltransferase p300(Homo sapiens (Human))
University of Freiburg

Curated by ChEMBL
LigandPNGBDBM50012070(5-Hydroxy-2-methyl-[1,4]naphthoquinone | 5-hydroxy...)
Affinity DataIC50:  2.00E+4nMAssay Description:Inhibition of full length recombinant His6-tagged p300 (unknown origin) expressed in baculovirus expression system using histone substrate after 10 m...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone acetyltransferase p300(Homo sapiens (Human))
University of Freiburg

Curated by ChEMBL
LigandPNGBDBM50012070(5-Hydroxy-2-methyl-[1,4]naphthoquinone | 5-hydroxy...)
Affinity DataIC50:  2.00E+3nMAssay Description:Inhibition of recombinant His6-tagged p300 catalytic domain (1284 to1673 residues) (unknown origin) expressed in baculovirus expression system using ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone acetyltransferase KAT2B(Homo sapiens (Human))
University of Freiburg

Curated by ChEMBL
LigandPNGBDBM50012070(5-Hydroxy-2-methyl-[1,4]naphthoquinone | 5-hydroxy...)
Affinity DataIC50:  5.00E+4nMAssay Description:Inhibition of recombinant PCAF (unknown origin) expressed in baculovirus expression system using histone substrate after 10 mins by liquid scintillat...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMitogen-activated protein kinase kinase kinase 14(Homo sapiens (Human))
University of Namur

Curated by ChEMBL
LigandPNGBDBM50012070(5-Hydroxy-2-methyl-[1,4]naphthoquinone | 5-hydroxy...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of human recombinant GST-fused NIK expressed in Sf9 cells after 60 mins by radiometric protein kinase assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCell division protein FtsZ(Bacillus subtilis)
National Institute of Technology Calicut

Curated by ChEMBL
LigandPNGBDBM50012070(5-Hydroxy-2-methyl-[1,4]naphthoquinone | 5-hydroxy...)
Affinity DataKd:  1.58E+4nMAssay Description:Binding affinity to Bacillus subtilis FtsZ assessed as dissociation constant of intrinsic tryptophan quenching incubated for 30 mins by double recipr...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetDual specificity mitogen-activated protein kinase kinase 7(Homo sapiens (Human))
Montana State University

Curated by ChEMBL
LigandPNGBDBM50012070(5-Hydroxy-2-methyl-[1,4]naphthoquinone | 5-hydroxy...)
Affinity DataKd:  1.40E+4nMAssay Description:Binding affinity to MKK7 (unknown origin) expressed in HEK293 cells assessed as dissociation constant by kinomescan methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetM-phase inducer phosphatase 2(Homo sapiens (Human))
Montana State University

Curated by ChEMBL
LigandPNGBDBM50012070(5-Hydroxy-2-methyl-[1,4]naphthoquinone | 5-hydroxy...)
Affinity DataIC50:  3.10E+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
TargetM-phase inducer phosphatase 1(Homo sapiens (Human))
Montana State University

Curated by ChEMBL
LigandPNGBDBM50012070(5-Hydroxy-2-methyl-[1,4]naphthoquinone | 5-hydroxy...)
Affinity DataIC50:  700nMAssay 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
TargetReceptor tyrosine-protein kinase erbB-2(Homo sapiens (Human))
Xavier University of Louisiana

Curated by ChEMBL
LigandPNGBDBM50012070(5-Hydroxy-2-methyl-[1,4]naphthoquinone | 5-hydroxy...)
Affinity DataIC50:  3.08E+4nMAssay Description:Inhibition of HER2 (unknown origin) by ADP-Glo assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetChaperonin GroEL(Escherichia coli)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50012070(5-Hydroxy-2-methyl-[1,4]naphthoquinone | 5-hydroxy...)
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
Target60 kDa heat shock protein, mitochondrial(Homo sapiens)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50012070(5-Hydroxy-2-methyl-[1,4]naphthoquinone | 5-hydroxy...)
Affinity DataIC50:  6.30E+3nMAssay 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
TargetThiosulfate sulfurtransferase(Homo sapiens)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50012070(5-Hydroxy-2-methyl-[1,4]naphthoquinone | 5-hydroxy...)
Affinity DataIC50:  60nMAssay 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
LigandPNGBDBM50012070(5-Hydroxy-2-methyl-[1,4]naphthoquinone | 5-hydroxy...)
Affinity DataIC50:  3.80E+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
TargetCo-chaperonin GroES(Escherichia coli)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50012070(5-Hydroxy-2-methyl-[1,4]naphthoquinone | 5-hydroxy...)
Affinity DataIC50:  290nMAssay 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
TargetTransient receptor potential cation channel subfamily A member 1(Homo sapiens (Human))
Universit£T Leipzig

Curated by ChEMBL
LigandPNGBDBM50012070(5-Hydroxy-2-methyl-[1,4]naphthoquinone | 5-hydroxy...)
Affinity DataEC50:  460nMAssay 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 DepthDetails ArticlePubMed
TargetTransient receptor potential cation channel subfamily A member 1(Homo sapiens (Human))
Universit£T Leipzig

Curated by ChEMBL
LigandPNGBDBM50012070(5-Hydroxy-2-methyl-[1,4]naphthoquinone | 5-hydroxy...)
Affinity DataEC50:  460nMAssay 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 DepthDetails ArticlePubMed
TargetHistone acetyltransferase KAT2B(Homo sapiens (Human))
University of Freiburg

Curated by ChEMBL
LigandPNGBDBM50012070(5-Hydroxy-2-methyl-[1,4]naphthoquinone | 5-hydroxy...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of PCAF in human HeLa cells using [3H]-acetyl-CoA as substrate preincubated for 10 mins followed by substrate addition measured after 10 m...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone acetyltransferase p300(Homo sapiens (Human))
University of Freiburg

Curated by ChEMBL
LigandPNGBDBM50012070(5-Hydroxy-2-methyl-[1,4]naphthoquinone | 5-hydroxy...)
Affinity DataIC50:  2.00E+4nMAssay Description:Displacement of [3H]-acetyl-CoA from recombinant P300 (unknown origin) expressed in baculovirus expression system preincubated for 10 mins followed b...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone acetyltransferase KAT2B(Homo sapiens (Human))
University of Freiburg

Curated by ChEMBL
LigandPNGBDBM50012070(5-Hydroxy-2-methyl-[1,4]naphthoquinone | 5-hydroxy...)
Affinity DataIC50: >5.00E+4nMAssay Description:Displacement of [3H]-acetyl-CoA from recombinant PCAF (unknown origin) expressed in baculovirus expression system preincubated for 10 mins followed b...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone acetyltransferase p300(Homo sapiens (Human))
University of Freiburg

Curated by ChEMBL
LigandPNGBDBM50012070(5-Hydroxy-2-methyl-[1,4]naphthoquinone | 5-hydroxy...)
Affinity DataIC50:  2.00E+4nMAssay Description:Inhibition of P300 in human HeLa cells using [3H]-acetyl-CoA as substrate preincubated for 10 mins followed by substrate addition measured after 10 m...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAmine oxidase(Homo sapiens (Human))
North-West University

LigandPNGBDBM50012070(5-Hydroxy-2-methyl-[1,4]naphthoquinone | 5-hydroxy...)
Affinity DataIC50:  1.09E+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