BDBM57938 (1R)-1,6,6-trimethyl-2,7,8,9-tetrahydro-1H-naphtho[1,2-g][1]benzofuran-10,11-dione::(1R)-1,6,6-trimethyl-2,7,8,9-tetrahydro-1H-naphtho[1,2-g]benzofuran-10,11-dione::(1R)-1,6,6-trimethyl-2,7,8,9-tetrahydro-1H-naphtho[1,2-g]benzofuran-10,11-quinone::MLS001049002::SMR000387041::acs.jmedchem.1c00409_ST.780::cid_160254

SMILES C[C@H]1COC2=C1C(=O)C(=O)c1c3CCCC(C)(C)c3ccc21

InChI Key InChIKey=GVKKJJOMQCNPGB-UHFFFAOYSA-N

Data  1 KI  11 IC50  1 EC50

  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 13 hits for monomerid = 57938   

TargetStreptokinase A(Streptococcus pyogenes M1 GAS)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM57938(cid_160254 | MLS001049002 | (1R)-1,6,6-trimethyl-2...)
Affinity DataEC50:  1.48E+4nMAssay 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 Depth
Date in BDB:
6/8/2011
Entry Details
PCBioAssay
TargetEndothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha(Human)
Korean Research Institute of Biosciences and Biotechnology

Curated by ChEMBL
LigandPNGBDBM57938(cid_160254 | MLS001049002 | (1R)-1,6,6-trimethyl-2...)
Affinity DataIC50: 1.36E+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 Depth
Date in BDB:
8/24/2020
Entry Details Article
PubMed
TargetEndothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha(Human)
Korean Research Institute of Biosciences and Biotechnology

Curated by ChEMBL
LigandPNGBDBM57938(cid_160254 | MLS001049002 | (1R)-1,6,6-trimethyl-2...)
Affinity DataIC50: 1.58E+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 Depth
Date in BDB:
8/24/2020
Entry Details Article
PubMed
LigandPNGBDBM57938(cid_160254 | MLS001049002 | (1R)-1,6,6-trimethyl-2...)
Affinity DataIC50: 4.79E+3nMAssay Description:Inhibition of Rattus norvegicus (rat) lens aldose reductaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2020
Entry Details Article

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

LigandPNGBDBM57938(cid_160254 | MLS001049002 | (1R)-1,6,6-trimethyl-2...)
Affinity DataIC50: 2.27E+5nMAssay Description:This is a review article. Please point to the original journal.More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/27/2022
Entry Details Article
PubMed
TargetTyrosine-protein phosphatase non-receptor type 11(Human)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM57938(cid_160254 | MLS001049002 | (1R)-1,6,6-trimethyl-2...)
Affinity DataIC50: 2.25E+4nMAssay Description:Inhibition of SHP2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
University of California San Diego

Curated by ChEMBL
LigandPNGBDBM57938(cid_160254 | MLS001049002 | (1R)-1,6,6-trimethyl-2...)
Affinity DataIC50: 4.20E+3nMAssay Description:Inhibition of SARS-CoV-2 3CL proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetLysine-specific histone demethylase 1A(Human)
Beijing University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM57938(cid_160254 | MLS001049002 | (1R)-1,6,6-trimethyl-2...)
Affinity DataIC50: 9.02E+3nMAssay Description:Inhibition of LSD1 (unknown origin) by Spectra Max Paradigm Microplate Reader analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
University of California San Diego

Curated by ChEMBL
LigandPNGBDBM57938(cid_160254 | MLS001049002 | (1R)-1,6,6-trimethyl-2...)
Affinity DataIC50: 5.63E+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 Depth
Date in BDB:
6/22/2023
Entry Details Article
PubMed
TargetIndoleamine 2,3-dioxygenase 1(Human)
Kunming Institute of Botany

Curated by ChEMBL
LigandPNGBDBM57938(cid_160254 | MLS001049002 | (1R)-1,6,6-trimethyl-2...)
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 Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetTryptophan 2,3-dioxygenase(Human)
Kunming Institute of Botany

Curated by ChEMBL
LigandPNGBDBM57938(cid_160254 | MLS001049002 | (1R)-1,6,6-trimethyl-2...)
Affinity DataIC50: 9.80E+3nMAssay 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 Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
University of California San Diego

Curated by ChEMBL
LigandPNGBDBM57938(cid_160254 | MLS001049002 | (1R)-1,6,6-trimethyl-2...)
Affinity DataIC50: 1.34E+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 Depth
Date in BDB:
6/22/2023
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(SARS-CoV)
Michigan State University

LigandPNGBDBM57938(cid_160254 | MLS001049002 | (1R)-1,6,6-trimethyl-2...)
Affinity DataKi:  9.00E+3nMAssay Description:This is a review article. Please point to the original journal.More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/27/2022
Entry Details Article
PubMed