BDBM83922 1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione::1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g]benzofuran-10,11-dione::1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g]benzofuran-10,11-quinone::MLS001048863::SMR000387068::acs.jmedchem.1c00409_ST.743::cid_164676::med.21724, Compound 173

SMILES Cc1coc-2c1C(=O)C(=O)c1c3CCCC(C)(C)c3ccc-21

InChI Key InChIKey=HYXITZLLTYIPOF-UHFFFAOYSA-N

Data  6 KI  25 IC50  1 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 32 hits for monomerid = 83922   

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

Curated by ChEMBL
LigandPNGBDBM83922(1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]be...)
Affinity DataKi:  69nMAssay Description:Inhibition of human iCE using CPT-11 as substrate by spectrophotometric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCocaine esterase(Homo sapiens (Human))
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM83922(1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]be...)
Affinity DataKi:  2.45E+3nMAssay 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(Homo sapiens (Human))
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM83922(1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]be...)
Affinity DataKi:  6.89E+3nMAssay Description:Inhibition of human CE1 using o-NPA as substrate by spectrophotometric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReplicase polyprotein 1a(Human SARS coronavirus (SARS-CoV))
Korea Research Institute Of Bioscience And Biotechnology

Curated by ChEMBL
LigandPNGBDBM83922(1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]be...)
Affinity DataKi:  1.12E+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
TargetAcetylcholinesterase(Homo sapiens (Human))
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM83922(1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]be...)
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
TargetAcetylcholinesterase(Homo sapiens (Human))
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM83922(1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]be...)
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
TargetHistone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12(Homo sapiens (Human))
Korea Research Institute Of Chemical Technology

Curated by ChEMBL
LigandPNGBDBM83922(1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]be...)
Affinity DataIC50:  2.81E+4nMAssay 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
TargetReplicase polyprotein 1a(Human SARS coronavirus (SARS-CoV))
Korea Research Institute Of Bioscience And Biotechnology

Curated by ChEMBL
LigandPNGBDBM83922(1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]be...)
Affinity DataIC50:  1.60E+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(Human SARS coronavirus (SARS-CoV))
Korea Research Institute Of Bioscience And Biotechnology

Curated by ChEMBL
LigandPNGBDBM83922(1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]be...)
Affinity DataIC50:  1.71E+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
TargetAldo-keto reductase family 1 member B1(Homo sapiens (Human))
King'S College London

Curated by ChEMBL
LigandPNGBDBM83922(1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]be...)
Affinity DataIC50:  8.69E+3nMAssay Description:Inhibition of human recombinant aldose reductase using D-glyceraldehyde as substrate preincubated for 10 mins before substrate addition measured for ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldo-keto reductase family 1 member B1(Rattus norvegicus)
King'S College London

Curated by ChEMBL
LigandPNGBDBM83922(1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]be...)
Affinity DataIC50:  1.14E+3nMAssay Description:Inhibition of rat lens aldose reductaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein phosphatase non-receptor type 6(Homo sapiens (Human))
Case Western Reserve University

Curated by ChEMBL
LigandPNGBDBM83922(1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]be...)
Affinity DataIC50:  2.14E+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
TargetTyrosine-protein phosphatase non-receptor type 11(Homo sapiens (Human))
Case Western Reserve University

Curated by ChEMBL
LigandPNGBDBM83922(1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]be...)
Affinity DataIC50:  2.59E+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(Human SARS coronavirus (SARS-CoV))
Korea Research Institute Of Bioscience And Biotechnology

Curated by ChEMBL
LigandPNGBDBM83922(1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]be...)
Affinity DataIC50:  8.91E+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
TargetPapain(Carica papaya)
Korea Research Institute Of Bioscience And Biotechnology

Curated by ChEMBL
LigandPNGBDBM83922(1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]be...)
Affinity DataIC50:  1.22E+5nMAssay Description:Inhibition of papaya papain using N-alpha-benzoyl-L-arginine-pnitroanilide as substrate after 5 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA-(apurinic or apyrimidinic site) endonuclease(Homo sapiens (Human))
Russian Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM83922(1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]be...)
Affinity DataKd:  0.880nMAssay Description:Binding affinity to full length human APE1 expressed in Escherichia coli BL21/DE3More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEndothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha(Homo sapiens (Human))
Korean Research Institute Of Biosciences And Biotechnology

Curated by ChEMBL
LigandPNGBDBM83922(1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]be...)
Affinity DataIC50:  7.53E+3nMAssay 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(Homo sapiens (Human))
Korean Research Institute Of Biosciences And Biotechnology

Curated by ChEMBL
LigandPNGBDBM83922(1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]be...)
Affinity DataIC50:  6.18E+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
TargetReplicase polyprotein 1a(Human SARS coronavirus (SARS-CoV))
Korea Research Institute Of Bioscience And Biotechnology

Curated by ChEMBL
LigandPNGBDBM83922(1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]be...)
Affinity DataIC50:  800nMAssay Description:This is a review article.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM83922(1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]be...)
Affinity DataIC50: >1.40E+5nMAssay Description:Inhibition of acetylcholinesterase (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldo-keto reductase family 1 member B1(Rattus norvegicus)
King'S College London

Curated by ChEMBL
LigandPNGBDBM83922(1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]be...)
Affinity DataIC50:  1.15E+3nMAssay Description:Inhibition of Rattus norvegicus (rat) lens aldose reductaseMore data for this Ligand-Target Pair
In DepthDetails Article
TargetReplicase polyprotein 1ab(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
Michigan State University

LigandPNGBDBM83922(1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]be...)
Affinity DataIC50:  8.91E+4nMAssay Description:This is a review article. Please point to the original journal.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPyruvate kinase PKM(Homo sapiens (Human))
Central University Of Punjab

Curated by ChEMBL
LigandPNGBDBM83922(1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]be...)
Affinity DataIC50:  1.92E+6nMAssay Description:Inhibition of PKM2 (lle51, Lys207, Hie78, GIn329, Arg73, Hie84, Asn75 residues) in human EC109 cells assessed as miR-122-mediated PKM2 expressionMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
Kunming Institute Of Botany

Curated by ChEMBL
LigandPNGBDBM83922(1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]be...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of recombinant human IDO1 assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate and measured after 15 minsMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetTryptophan 2,3-dioxygenase(Homo sapiens (Human))
Kunming Institute Of Botany

Curated by ChEMBL
LigandPNGBDBM83922(1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]be...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of recombinant human TDO assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate and measured after 15 minsMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAldo-keto reductase family 1 member B1(Rattus norvegicus)
King'S College London

Curated by ChEMBL
LigandPNGBDBM83922(1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]be...)
Affinity DataIC50:  1.14E+3nMAssay Description:Inhibition of rat aldose reductaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetApoptotic protease-activating factor 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM83922(1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]be...)
Affinity DataIC50: >1.00E+5nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetApoptotic protease-activating factor 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM83922(1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]be...)
Affinity DataIC50:  4.82E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetCaspase-9(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM83922(1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]be...)
Affinity DataIC50:  1.12E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetReplicase polyprotein 1ab(2019-nCoV)
The State University Of New Jersey

Curated by ChEMBL
LigandPNGBDBM83922(1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]be...)
Affinity DataIC50:  1.57E+3nMAssay Description:Inhibition of N-terminal 3xFlag-His6-tagged SARS-CoV-2 papain-like protease nsp3 (1564 to 1878 residues) expressed in baculovirus infected Sf9 insect...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTelomerase reverse transcriptase(Homo sapiens (Human))
University Of North Carolina

Curated by ChEMBL
LigandPNGBDBM83922(1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]be...)
Affinity DataIC50:  5.00E+3nMAssay Description:Inhibition of human recombinant telomerase activity in rabbit reticulocytes after 90 mins by telomerase assemblage gel electrophoresisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTelomerase reverse transcriptase(Homo sapiens (Human))
University Of North Carolina

Curated by ChEMBL
LigandPNGBDBM83922(1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]be...)
Affinity DataIC50:  500nMAssay Description:Inhibition of pre-assembled human recombinant telomerase activity in rabbit reticulocytes after 90 mins by gel electrophoresis method based direct pr...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed