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  27 IC50

  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 27 hits for monomerid = 50033731   

TargetDNA topoisomerase 1(Homo sapiens (Human))
Chungnam National University

Curated by ChEMBL
LigandPNGBDBM50033731((R)-5,8-dihydroxy-2-(1-hydroxy-4-methylpent-3-enyl...)
Affinity DataIC50:  2.08E+5nMAssay Description:Inhibitory activity against DNA topoisomerase-I obtained from Hela cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Jadavpur University

Curated by ChEMBL
LigandPNGBDBM50033731((R)-5,8-dihydroxy-2-(1-hydroxy-4-methylpent-3-enyl...)
Affinity DataIC50:  1.57E+4nMAssay Description:Inhibition of SARS-CoV-2 MProMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetSterol O-acyltransferase 1(Homo sapiens (Human))
National Research Laboratory Of Lipid Metabolism And Atherosclerosis

Curated by ChEMBL
LigandPNGBDBM50033731((R)-5,8-dihydroxy-2-(1-hydroxy-4-methylpent-3-enyl...)
Affinity DataIC50:  7.04E+4nMAssay Description:Inhibition of human ACAT1 expressed in Hi5 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuraminidase(Influenza A virus (strain A/Brevig Mission/1/1918 ...)
Korea Research Institute Of Bioscience And Biotechnology

Curated by ChEMBL
LigandPNGBDBM50033731((R)-5,8-dihydroxy-2-(1-hydroxy-4-methylpent-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 DepthDetails ArticlePubMed
TargetTyrosine-protein phosphatase non-receptor type 1(Homo sapiens (Human))
Inha University

Curated by ChEMBL
LigandPNGBDBM50033731((R)-5,8-dihydroxy-2-(1-hydroxy-4-methylpent-3-enyl...)
Affinity DataIC50:  2.50E+4nMAssay Description:Inhibition of human PTPase 1BMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein phosphatase 1(Saccharomyces cerevisiae)
Inha University

Curated by ChEMBL
LigandPNGBDBM50033731((R)-5,8-dihydroxy-2-(1-hydroxy-4-methylpent-3-enyl...)
Affinity DataIC50:  7.00E+4nMAssay Description:Inhibitory activity against Saccharomyces cerevisiae Tyrosine phosphatase 1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPyruvate kinase PKLR(Homo sapiens (Human))
Peking University Health Science Center

Curated by ChEMBL
LigandPNGBDBM50033731((R)-5,8-dihydroxy-2-(1-hydroxy-4-methylpent-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 DepthDetails ArticlePubMed
TargetPyruvate kinase PKM(Homo sapiens (Human))
Peking University Health Science Center

Curated by ChEMBL
LigandPNGBDBM50033731((R)-5,8-dihydroxy-2-(1-hydroxy-4-methylpent-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 DepthDetails ArticlePubMed
TargetPyruvate kinase PKM(Homo sapiens (Human))
Peking University Health Science Center

Curated by ChEMBL
LigandPNGBDBM50033731((R)-5,8-dihydroxy-2-(1-hydroxy-4-methylpent-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 DepthDetails ArticlePubMed
TargetSortase family protein(Staphylococcus aureus)
Shanghai Institute Of Materia Medica

Curated by ChEMBL
LigandPNGBDBM50033731((R)-5,8-dihydroxy-2-(1-hydroxy-4-methylpent-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 DepthDetails ArticlePubMed
TargetSortase family protein(Staphylococcus aureus)
Shanghai Institute Of Materia Medica

Curated by ChEMBL
LigandPNGBDBM50033731((R)-5,8-dihydroxy-2-(1-hydroxy-4-methylpent-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 DepthDetails ArticlePubMed
TargetPyruvate kinase PKM(Homo sapiens (Human))
Peking University Health Science Center

Curated by ChEMBL
LigandPNGBDBM50033731((R)-5,8-dihydroxy-2-(1-hydroxy-4-methylpent-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 DepthDetails ArticlePubMed
TargetPyruvate kinase PKM(Homo sapiens (Human))
Peking University Health Science Center

Curated by ChEMBL
LigandPNGBDBM50033731((R)-5,8-dihydroxy-2-(1-hydroxy-4-methylpent-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 DepthDetails ArticlePubMed
TargetDNA topoisomerase 2-alpha/2-beta(Homo sapiens (Human))
Guangxi University

Curated by ChEMBL
LigandPNGBDBM50033731((R)-5,8-dihydroxy-2-(1-hydroxy-4-methylpent-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 DepthDetails ArticlePubMed
TargetDNA topoisomerase 2-alpha/2-beta(Homo sapiens (Human))
Guangxi University

Curated by ChEMBL
LigandPNGBDBM50033731((R)-5,8-dihydroxy-2-(1-hydroxy-4-methylpent-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 DepthDetails ArticlePubMed
TargetDNA topoisomerase 2-alpha/2-beta(Homo sapiens (Human))
Guangxi University

Curated by ChEMBL
LigandPNGBDBM50033731((R)-5,8-dihydroxy-2-(1-hydroxy-4-methylpent-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 DepthDetails ArticlePubMed
TargetDNA topoisomerase 2-alpha/2-beta(Homo sapiens (Human))
Guangxi University

Curated by ChEMBL
LigandPNGBDBM50033731((R)-5,8-dihydroxy-2-(1-hydroxy-4-methylpent-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 DepthDetails ArticlePubMed
TargetDNA topoisomerase 2-alpha/2-beta(Homo sapiens (Human))
Guangxi University

Curated by ChEMBL
LigandPNGBDBM50033731((R)-5,8-dihydroxy-2-(1-hydroxy-4-methylpent-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 DepthDetails ArticlePubMed
TargetDNA topoisomerase 2-alpha/2-beta(Homo sapiens (Human))
Guangxi University

Curated by ChEMBL
LigandPNGBDBM50033731((R)-5,8-dihydroxy-2-(1-hydroxy-4-methylpent-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 DepthDetails ArticlePubMed
TargetM-phase inducer phosphatase 1(Homo sapiens (Human))
Montana State University

Curated by ChEMBL
LigandPNGBDBM50033731((R)-5,8-dihydroxy-2-(1-hydroxy-4-methylpent-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 DepthDetails ArticlePubMed
TargetM-phase inducer phosphatase 2(Homo sapiens (Human))
Montana State University

Curated by ChEMBL
LigandPNGBDBM50033731((R)-5,8-dihydroxy-2-(1-hydroxy-4-methylpent-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 DepthDetails ArticlePubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Nanjing University

Curated by ChEMBL
LigandPNGBDBM50033731((R)-5,8-dihydroxy-2-(1-hydroxy-4-methylpent-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 DepthDetails ArticlePubMed
TargetHistone-lysine N-methyltransferase SETD7(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50033731((R)-5,8-dihydroxy-2-(1-hydroxy-4-methylpent-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 DepthDetails ArticlePubMed
TargetPyruvate kinase PKM(Homo sapiens (Human))
Peking University Health Science Center

Curated by ChEMBL
LigandPNGBDBM50033731((R)-5,8-dihydroxy-2-(1-hydroxy-4-methylpent-3-enyl...)
Affinity DataIC50:  800nMAssay Description:Inhibition of PKM2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetPyruvate kinase PKM(Homo sapiens (Human))
Peking University Health Science Center

Curated by ChEMBL
LigandPNGBDBM50033731((R)-5,8-dihydroxy-2-(1-hydroxy-4-methylpent-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 DepthDetails PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Jadavpur University

Curated by ChEMBL
LigandPNGBDBM50033731((R)-5,8-dihydroxy-2-(1-hydroxy-4-methylpent-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 DepthDetails PubMed
TargetSterol O-acyltransferase 2(Homo sapiens (Human))
National Research Laboratory Of Lipid Metabolism And Atherosclerosis

Curated by ChEMBL
LigandPNGBDBM50033731((R)-5,8-dihydroxy-2-(1-hydroxy-4-methylpent-3-enyl...)
Affinity DataIC50:  1.38E+5nMAssay Description:Inhibition of human ACAT2 expressed in Hi5 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed