BDBM51317 1,6-dimethylnaphtho[1,2-g][1]benzofuran-10,11-dione::1,6-dimethylnaphtho[1,2-g]benzofuran-10,11-dione::1,6-dimethylnaphtho[1,2-g]benzofuran-10,11-quinone::MLS000697676::SMR000445578::TANSHINONE I::acs.jmedchem.1c00409_ST.675::cid_114917

SMILES Cc1coc-2c1C(=O)C(=O)c1c-2ccc2c(C)cccc12

InChI Key InChIKey=AIGAZQPHXLWMOJ-UHFFFAOYSA-N

Data  7 KI  16 IC50  1 EC50

  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 24 hits for monomerid = 51317   

TargetCocaine esterase(Human)
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM51317(1,6-dimethylnaphtho[1,2-g][1]benzofuran-10,11-dion...)
Affinity DataKi:  1.41E+3nMAssay Description:Inhibition of human iCE using CPT-11 as substrate by spectrophotometric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetReplicase polyprotein 1a(SARS-CoV)
Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL
LigandPNGBDBM51317(1,6-dimethylnaphtho[1,2-g][1]benzofuran-10,11-dion...)
Affinity DataKi:  1.37E+4nMAssay Description:Time dependent inhibition of SARS-CoV PLpro expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate at 3 to 100 uM up to ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetReplicase polyprotein 1ab(SARS-CoV)
Michigan State University

LigandPNGBDBM51317(1,6-dimethylnaphtho[1,2-g][1]benzofuran-10,11-dion...)
Affinity DataKi:  1.37E+4nMAssay Description:This is a review article. Please point to the original journal.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCocaine esterase(Human)
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM51317(1,6-dimethylnaphtho[1,2-g][1]benzofuran-10,11-dion...)
Affinity DataKi:  1.46E+4nMAssay Description:Inhibition of human iCE using o-NPA as substrate by spectrophotometric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetLiver carboxylesterase 1(Human)
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM51317(1,6-dimethylnaphtho[1,2-g][1]benzofuran-10,11-dion...)
Affinity DataKi:  2.63E+4nMAssay Description:Inhibition of human CE1 using o-NPA as substrate by spectrophotometric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAcetylcholinesterase(Human)
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM51317(1,6-dimethylnaphtho[1,2-g][1]benzofuran-10,11-dion...)
Affinity DataKi: >1.00E+5nMAssay Description:Inhibition of human BChE using butyrylthiocholine as substrate by spectrophotometric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAcetylcholinesterase(Human)
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM51317(1,6-dimethylnaphtho[1,2-g][1]benzofuran-10,11-dion...)
Affinity DataKi: >1.00E+5nMAssay Description:Inhibition of human AChE using acetylthiocholine as substrate by spectrophotometric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetTyrosine-protein phosphatase non-receptor type 11(Human)
Case Western Reserve University

Curated by ChEMBL
LigandPNGBDBM51317(1,6-dimethylnaphtho[1,2-g][1]benzofuran-10,11-dion...)
Affinity DataIC50:  2.57E+3nMAssay Description:Inhibition of GST-tagged SHP2 PTP domain (unknown origin) using phospho-EGFR Asp-Ala-Asp-Glu-Tyr[PO3H2]-Leu-Ile-Pro-Gln-Gln-Gly as substrate preincub...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetReplicase polyprotein 1a(SARS-CoV)
Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL
LigandPNGBDBM51317(1,6-dimethylnaphtho[1,2-g][1]benzofuran-10,11-dion...)
Affinity DataIC50:  700nMAssay Description:Inhibition of SARS-CoV PLpro deubiququitination expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate by fluorescence a...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetEndothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha(Human)
Korean Research Institute of Biosciences and Biotechnology

Curated by ChEMBL
LigandPNGBDBM51317(1,6-dimethylnaphtho[1,2-g][1]benzofuran-10,11-dion...)
Affinity DataIC50:  1.25E+4nMAssay Description:Inhibition of HIF1 activation in human AGS cells assessed as inhibition of hypoxia-induced luciferase expression after 16 hrs by reporter assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetEndothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha(Human)
Korean Research Institute of Biosciences and Biotechnology

Curated by ChEMBL
LigandPNGBDBM51317(1,6-dimethylnaphtho[1,2-g][1]benzofuran-10,11-dion...)
Affinity DataIC50:  8.51E+3nMAssay Description:Inhibition of HIF1 activation in human Hep3B cells assessed as inhibition of hypoxia-induced luciferase expression after 16 hrs by reporter assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAcetylcholinesterase(Human)
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM51317(1,6-dimethylnaphtho[1,2-g][1]benzofuran-10,11-dion...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of acetylcholinesterase (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

LigandPNGBDBM51317(1,6-dimethylnaphtho[1,2-g][1]benzofuran-10,11-dion...)
Affinity DataIC50:  1.00E+4nMAssay Description:Inhibition of Rattus norvegicus (rat) lens aldose reductaseMore data for this Ligand-Target Pair
In DepthDetails Article

TargetReplicase polyprotein 1ab(SARS-CoV)
Michigan State University

LigandPNGBDBM51317(1,6-dimethylnaphtho[1,2-g][1]benzofuran-10,11-dion...)
Affinity DataIC50:  3.87E+4nMAssay Description:This is a review article. Please point to the original journal.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetLysine-specific histone demethylase 1A(Human)
Beijing University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM51317(1,6-dimethylnaphtho[1,2-g][1]benzofuran-10,11-dion...)
Affinity DataIC50:  1.65E+4nMAssay Description:Inhibition of LSD1 (unknown origin) by Spectra Max Paradigm Microplate Reader analysisMore data for this Ligand-Target Pair
In DepthDetails PubMed

TargetReplicase polyprotein 1ab(2019-nCoV)
The State University of New Jersey

Curated by ChEMBL
LigandPNGBDBM51317(1,6-dimethylnaphtho[1,2-g][1]benzofuran-10,11-dion...)
Affinity DataIC50:  2.21E+3nMAssay Description:Inhibition of full-length SARS-CoV-2 papain-like protease (1564 to 1878 residues) expressed in Escherichia coli Rosetta (DE3) using Arg-Leu-Arg-Gly-G...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetTyrosine-protein phosphatase non-receptor type 6(Human)
Case Western Reserve University

Curated by ChEMBL
LigandPNGBDBM51317(1,6-dimethylnaphtho[1,2-g][1]benzofuran-10,11-dion...)
Affinity DataIC50:  1.97E+3nMAssay Description:Inhibition of GST-tagged SHP1 PTP domain (unknown origin) using phospho-EGFR Asp-Ala-Asp-Glu-Tyr[PO3H2]-Leu-Ile-Pro-Gln-Gln-Gly as substrate preincub...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetReplicase polyprotein 1a(SARS-CoV)
Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL
LigandPNGBDBM51317(1,6-dimethylnaphtho[1,2-g][1]benzofuran-10,11-dion...)
Affinity DataIC50:  1.15E+4nMAssay Description:Inhibition of SARS-CoV PLpro expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetReplicase polyprotein 1a(SARS-CoV)
Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL
LigandPNGBDBM51317(1,6-dimethylnaphtho[1,2-g][1]benzofuran-10,11-dion...)
Affinity DataIC50:  8.80E+3nMAssay Description:Inhibition of SARS-CoV PLpro expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate preincubated for 30 mins by fluoresc...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetReplicase polyprotein 1a(SARS-CoV)
Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL
LigandPNGBDBM51317(1,6-dimethylnaphtho[1,2-g][1]benzofuran-10,11-dion...)
Affinity DataIC50:  3.87E+4nMAssay Description:Inhibition of SARS-CoV 3CLpro expressed in Escherichia coli BL21 (DE3) using Dabcyl-KNSTLQSGLRKE-Edan as substrate after 60 mins by FRET analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetHistone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12(Human)
Korea Research Institute of Chemical Technology

Curated by ChEMBL
LigandPNGBDBM51317(1,6-dimethylnaphtho[1,2-g][1]benzofuran-10,11-dion...)
Affinity DataIC50:  8.90E+3nMAssay Description:Inhibition of EZH2 histone methyltransferase activity in EZH2/SUZ12/EED protein complex (unknown origin) using histone H3 peptide/S-adenosylmethionin...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetLysine-specific histone demethylase 1A(Human)
Beijing University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM51317(1,6-dimethylnaphtho[1,2-g][1]benzofuran-10,11-dion...)
Affinity DataIC50:  1.65E+4nMAssay Description:Inhibition of KDM1A (unknown origin) by fluorescence based assayMore data for this Ligand-Target Pair
In DepthDetails PubMed

LigandPNGBDBM51317(1,6-dimethylnaphtho[1,2-g][1]benzofuran-10,11-dion...)
Affinity DataIC50:  8.50E+4nMAssay Description:Project Title: A screen for modulators of human Rad51, a key DNA repair protein Application Number: MH084119 Assay Submitter: Dr. Alex Mazin Submitte...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay

TargetStreptokinase A(Streptococcus pyogenes M1 GAS)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM51317(1,6-dimethylnaphtho[1,2-g][1]benzofuran-10,11-dion...)
Affinity DataEC50:  1.50E+5nMAssay Description:Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay