BDBM50033731 (R)-5,8-dihydroxy-2-(1-hydroxy-4-methylpent-3-enyl)naphthalene-1,4-dione::5,8-Dihydroxy-2-((R)-1-hydroxy-4-methyl-pent-3-enyl)-[1,4]naphthoquinone::5,8-Dihydroxy-2-(1-hydroxy-4-methyl-pent-3-enyl)-[1,4]naphthoquinone::CHEMBL9470::Shikonin

SMILES CC(C)C=CC(=O)c1cc(O)c2c(O)ccc(O)c2c1O

InChI Key InChIKey=FSWBAMMIGFKJBV-UHFFFAOYSA-N

Data  42 IC50

  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 42 hits for monomerid = 50033731   

TargetPyruvate kinase PKM(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50033731(5,8-Dihydroxy-2-(1-hydroxy-4-methyl-pent-3-enyl)-[...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human PKM2 assessed as ATP production incubated for 10 mins in presence of beta-mercaptoethanol by Celltiter-glo luminescent analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2024
Entry Details
PubMed
TargetHistone-lysine N-methyltransferase SETD7(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50033731(5,8-Dihydroxy-2-(1-hydroxy-4-methyl-pent-3-enyl)-[...)
Affinity DataIC50: 2.16E+4nMAssay Description:Inhibition of human SET7 overexpressed in Escherichia coli BL21 (DE3) cells preincubated for 15 mins followed by addition of SAM as substrate and bio...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2021
Entry Details Article
PubMed
TargetPyruvate kinase PKM(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50033731(5,8-Dihydroxy-2-(1-hydroxy-4-methyl-pent-3-enyl)-[...)
Affinity DataIC50: 800nMAssay Description:Inhibition of PKM2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetPyruvate kinase PKM(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50033731(5,8-Dihydroxy-2-(1-hydroxy-4-methyl-pent-3-enyl)-[...)
Affinity DataIC50: 8.82E+3nMAssay Description:Inhibition of human N-terminal His tagged PKM2 expressed in Escherichia coli Gly128, Ser205, Lys367, Gly208, Ile335, Gly363, Asn75, Ser362, lle51 res...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Jadavpur University

Curated by ChEMBL
LigandPNGBDBM50033731(5,8-Dihydroxy-2-(1-hydroxy-4-methyl-pent-3-enyl)-[...)
Affinity DataIC50: 1.58E+4nMAssay Description:Inhibition of SARS-CoV-2 MPro expressed in Escherichia coli BL21 (DE3) using Mca-AVLQ SGFR-K(Dnp)K as substrate by EnVision multimode plate reader an...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Jadavpur University

Curated by ChEMBL
LigandPNGBDBM50033731(5,8-Dihydroxy-2-(1-hydroxy-4-methyl-pent-3-enyl)-[...)
Affinity DataIC50: 1.57E+4nMAssay Description:Inhibition of SARS-CoV-2 MProMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetPyruvate kinase PKM(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50033731(5,8-Dihydroxy-2-(1-hydroxy-4-methyl-pent-3-enyl)-[...)
Affinity DataIC50: 1.42E+3nMAssay Description:Inhibition of PKM2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Jadavpur University

Curated by ChEMBL
LigandPNGBDBM50033731(5,8-Dihydroxy-2-(1-hydroxy-4-methyl-pent-3-enyl)-[...)
Affinity DataIC50: 670nMAssay Description:Inhibition of recombinant SARS-CoV-2 Main protease expressed in Escherichia coli BL21 (DE3) using Mca-AVLQSGFR-K(Dnp)K as substrate by fluorescence b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Jadavpur University

Curated by ChEMBL
LigandPNGBDBM50033731(5,8-Dihydroxy-2-(1-hydroxy-4-methyl-pent-3-enyl)-[...)
Affinity DataIC50: 1.60E+3nMAssay Description:Inhibition of SARS-CoV-2 MProMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Jadavpur University

Curated by ChEMBL
LigandPNGBDBM50033731(5,8-Dihydroxy-2-(1-hydroxy-4-methyl-pent-3-enyl)-[...)
Affinity DataIC50: 1.58E+4nMAssay Description:Inhibition of SARS-CoV-2 Main protease by FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2024
Entry Details
PubMed
TargetPyruvate kinase PKM(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50033731(5,8-Dihydroxy-2-(1-hydroxy-4-methyl-pent-3-enyl)-[...)
Affinity DataIC50: 2.58E+3nMAssay Description:Inhibition of human PKM2 assessed as ATP production incubated for 10 mins by Celltiter-glo luminescent analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2024
Entry Details
PubMed
TargetEpidermal growth factor receptor(Human)
Nanjing University

Curated by ChEMBL
LigandPNGBDBM50033731(5,8-Dihydroxy-2-(1-hydroxy-4-methyl-pent-3-enyl)-[...)
Affinity DataIC50: 139nMAssay Description:Inhibition of C-terminal His-tagged N-terminal GST-tagged human EGFR (668 to 1210 residues) expressed in baculovirus infected Sf9 cells after 30 mins...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetPyruvate kinase PKM(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50033731(5,8-Dihydroxy-2-(1-hydroxy-4-methyl-pent-3-enyl)-[...)
Affinity DataIC50: 1.52E+3nMAssay Description:Inhibition of human PKM1 assessed as ATP production incubated for 10 mins by Celltiter-glo luminescent analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2024
Entry Details
PubMed
TargetPyruvate kinase PKM(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50033731(5,8-Dihydroxy-2-(1-hydroxy-4-methyl-pent-3-enyl)-[...)
Affinity DataIC50: 301nMAssay Description:Binding affinity to wild type FLAG-tagged PKM2 in human PA-1 cells measured for 72 hrsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2024
Entry Details
PubMed
TargetPyruvate kinase PKM(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50033731(5,8-Dihydroxy-2-(1-hydroxy-4-methyl-pent-3-enyl)-[...)
Affinity DataIC50: 381nMAssay Description:Binding affinity to PKM2 C474A mutant in human PA-1 cells measured for 72 hrsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2024
Entry Details
PubMed
TargetPyruvate kinase PKM(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50033731(5,8-Dihydroxy-2-(1-hydroxy-4-methyl-pent-3-enyl)-[...)
Affinity DataIC50: 326nMAssay Description:Binding affinity to PKM2 C474S mutant in human PA-1 cells measured for 72 hrsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2024
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Jadavpur University

Curated by ChEMBL
LigandPNGBDBM50033731(5,8-Dihydroxy-2-(1-hydroxy-4-methyl-pent-3-enyl)-[...)
Affinity DataIC50: 1.58E+4nMAssay Description:Inhibition of SARS-CoV-2 main proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMed
TargetM-phase inducer phosphatase 2(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50033731(5,8-Dihydroxy-2-(1-hydroxy-4-methyl-pent-3-enyl)-[...)
Affinity DataIC50: 5.82E+3nMAssay Description:Inhibition of human recombinant CDC25BMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMed
TargetM-phase inducer phosphatase 1(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50033731(5,8-Dihydroxy-2-(1-hydroxy-4-methyl-pent-3-enyl)-[...)
Affinity DataIC50: 2.14E+3nMAssay Description:Inhibition of human recombinant CDC25AMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMed
TargetM-phase inducer phosphatase 3(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50033731(5,8-Dihydroxy-2-(1-hydroxy-4-methyl-pent-3-enyl)-[...)
Affinity DataIC50: 4.78E+3nMAssay Description:Inhibition of human recombinant CDC25CMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Jadavpur University

Curated by ChEMBL
LigandPNGBDBM50033731(5,8-Dihydroxy-2-(1-hydroxy-4-methyl-pent-3-enyl)-[...)
Affinity DataIC50: 1.58E+4nMAssay Description:Inhibition of SARS-COV2 main protease using Mca-AVLQ-SGFR-K as substrate by Fluorescence microplate reader assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details
PubMed
TargetPyruvate kinase PKM(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50033731(5,8-Dihydroxy-2-(1-hydroxy-4-methyl-pent-3-enyl)-[...)
Affinity DataIC50: 500nMAssay Description:Inhibition of recombinant human N-terminal His6/SUMO-tagged PKM2 expressed in Escherichia coli BL21 using PEP as substrate incubated for 30 mins in p...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetSterol O-acyltransferase 2(Human)
National Research Laboratory of Lipid Metabolism and Atherosclerosis

Curated by ChEMBL
LigandPNGBDBM50033731(5,8-Dihydroxy-2-(1-hydroxy-4-methyl-pent-3-enyl)-[...)
Affinity DataIC50: 1.38E+5nMAssay Description:Inhibition of human ACAT2 expressed in Hi5 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSterol O-acyltransferase 1(Human)
National Research Laboratory of Lipid Metabolism and Atherosclerosis

Curated by ChEMBL
LigandPNGBDBM50033731(5,8-Dihydroxy-2-(1-hydroxy-4-methyl-pent-3-enyl)-[...)
Affinity DataIC50: 7.04E+4nMAssay Description:Inhibition of human ACAT1 expressed in Hi5 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetNeuraminidase(Influenza A virus (strain A/Brevig Mission/1/1918 ...)
Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL
LigandPNGBDBM50033731(5,8-Dihydroxy-2-(1-hydroxy-4-methyl-pent-3-enyl)-[...)
Affinity DataIC50: 3.41E+4nMAssay Description:Inhibition of recombinant influenza A virus H1N1 A/Bervig_Mission/1/18 sialidase activity using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/22/2012
Entry Details Article
PubMed
TargetTyrosine-protein phosphatase non-receptor type 1(Human)
Inha University

Curated by ChEMBL
LigandPNGBDBM50033731(5,8-Dihydroxy-2-(1-hydroxy-4-methyl-pent-3-enyl)-[...)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of human PTPase 1BMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2012
Entry Details Article
PubMed
TargetTyrosine-protein phosphatase 1(Baker's yeast)
Inha University

Curated by ChEMBL
LigandPNGBDBM50033731(5,8-Dihydroxy-2-(1-hydroxy-4-methyl-pent-3-enyl)-[...)
Affinity DataIC50: 7.00E+4nMAssay Description:Inhibitory activity against Saccharomyces cerevisiae Tyrosine phosphatase 1More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2012
Entry Details Article
PubMed
TargetPyruvate kinase PKLR(Human)
Peking University Health Science Center

Curated by ChEMBL
LigandPNGBDBM50033731(5,8-Dihydroxy-2-(1-hydroxy-4-methyl-pent-3-enyl)-[...)
Affinity DataIC50: 3.93E+4nMAssay Description:Inhibition of recombinant human N-terminal His-tagged PKL expressed in Escherichia coli preincubated for 15 mins followed by PEP/NADH addition measur...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2020
Entry Details Article
PubMed
TargetPyruvate kinase PKM(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50033731(5,8-Dihydroxy-2-(1-hydroxy-4-methyl-pent-3-enyl)-[...)
Affinity DataIC50: 1.30E+4nMAssay Description:Inhibition of recombinant human N-terminal His-tagged PKM1 expressed in Escherichia coli BL21 preincubated for 15 mins followed by PEP/NADH addition ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2020
Entry Details Article
PubMed
TargetPyruvate kinase PKM(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50033731(5,8-Dihydroxy-2-(1-hydroxy-4-methyl-pent-3-enyl)-[...)
Affinity DataIC50: 8.82E+3nMAssay Description:Inhibition of recombinant human N-terminal His-tagged PKM2 expressed in Escherichia coli BL21 preincubated for 15 mins followed by PEP/NADH addition ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2020
Entry Details Article
PubMed
TargetSortase family protein(Staphylococcus aureus)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandPNGBDBM50033731(5,8-Dihydroxy-2-(1-hydroxy-4-methyl-pent-3-enyl)-[...)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of Staphylococcus aureus SrtA deltaN24 mutant assessed as decrease in transpeptidation of IsdA (64 to 323 residues) incubated for 1.25 hrs...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/29/2020
Entry Details Article
PubMed
TargetSortase family protein(Staphylococcus aureus)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandPNGBDBM50033731(5,8-Dihydroxy-2-(1-hydroxy-4-methyl-pent-3-enyl)-[...)
Affinity DataIC50: 300nMAssay Description:Inhibition of Staphylococcus aureus SrtA deltaN24 mutant transpeptidation activity using abz-LPATG-dnp as substrate preincubated for 10 mins followed...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/29/2020
Entry Details Article
PubMed
TargetDNA topoisomerase 1(Human)
Chungnam National University

Curated by ChEMBL
LigandPNGBDBM50033731(5,8-Dihydroxy-2-(1-hydroxy-4-methyl-pent-3-enyl)-[...)
Affinity DataIC50: 2.08E+5nMAssay Description:Inhibitory activity against DNA topoisomerase-1 obtained from Hela cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetPyruvate kinase PKM(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50033731(5,8-Dihydroxy-2-(1-hydroxy-4-methyl-pent-3-enyl)-[...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of recombinant human N-terminal His6/SUMO-tagged PKM1 expressed in Escherichia coli BL21 using PEP as substrate incubated for 30 mins in p...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetDNA topoisomerase 2-alpha/2-beta(Human)
Guangxi University

Curated by ChEMBL
LigandPNGBDBM50033731(5,8-Dihydroxy-2-(1-hydroxy-4-methyl-pent-3-enyl)-[...)
Affinity DataIC50: 7.80E+3nMAssay Description:Inhibition of topoisomerase 2 in human MDA-MB-231 cells assessed as reduction in cell growth measured after 72 hrs by MTT assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetDNA topoisomerase 2-alpha/2-beta(Human)
Guangxi University

Curated by ChEMBL
LigandPNGBDBM50033731(5,8-Dihydroxy-2-(1-hydroxy-4-methyl-pent-3-enyl)-[...)
Affinity DataIC50: 1.25E+4nMAssay Description:Inhibition of topoisomerase 2 in human CNE1 cells assessed as reduction in cell growth measured after 72 hrs by MTT assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetDNA topoisomerase 2-alpha/2-beta(Human)
Guangxi University

Curated by ChEMBL
LigandPNGBDBM50033731(5,8-Dihydroxy-2-(1-hydroxy-4-methyl-pent-3-enyl)-[...)
Affinity DataIC50: 6.20E+3nMAssay Description:Inhibition of topoisomerase 2 in human HepG2 cells assessed as reduction in cell growth measured after 72 hrs by MTT assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetDNA topoisomerase 2-alpha/2-beta(Human)
Guangxi University

Curated by ChEMBL
LigandPNGBDBM50033731(5,8-Dihydroxy-2-(1-hydroxy-4-methyl-pent-3-enyl)-[...)
Affinity DataIC50: 6.70E+3nMAssay Description:Inhibition of topoisomerase 2 in human HeLa cells assessed as reduction in cell growth measured after 72 hrs by MTT assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetDNA topoisomerase 2-alpha/2-beta(Human)
Guangxi University

Curated by ChEMBL
LigandPNGBDBM50033731(5,8-Dihydroxy-2-(1-hydroxy-4-methyl-pent-3-enyl)-[...)
Affinity DataIC50: 1.60E+4nMAssay Description:Inhibition of topoisomerase 2 in human A549 cells assessed as reduction in cell growth measured after 72 hrs by MTT assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetDNA topoisomerase 2-alpha/2-beta(Human)
Guangxi University

Curated by ChEMBL
LigandPNGBDBM50033731(5,8-Dihydroxy-2-(1-hydroxy-4-methyl-pent-3-enyl)-[...)
Affinity DataIC50: 5.70E+3nMAssay Description:Inhibition of topoisomerase 2 in human MCF7 cells assessed as reduction in cell growth measured after 72 hrs by MTT assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetM-phase inducer phosphatase 1(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50033731(5,8-Dihydroxy-2-(1-hydroxy-4-methyl-pent-3-enyl)-[...)
Affinity DataIC50: 220nMAssay 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 Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetM-phase inducer phosphatase 2(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50033731(5,8-Dihydroxy-2-(1-hydroxy-4-methyl-pent-3-enyl)-[...)
Affinity DataIC50: 400nMAssay 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 Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed