BDBM50423877 DIHYDROTANSHINONE::Dihydrotanshinone I::acs.jmedchem.1c00409_ST.562

SMILES C[C@H]1COC2=C1C(=O)C(=O)c1c2ccc2c(C)cccc12

InChI Key InChIKey=HARGZZNYNSYSGJ-JTQLQIEISA-N

Data  10 KI  14 IC50

PDB links: 1 PDB ID matches this monomer.

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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 24 hits for monomerid = 50423877   

TargetELAV-like protein 1(Human)
University of Pavia

Curated by ChEMBL
LigandPNGBDBM50423877(Dihydrotanshinone I | DIHYDROTANSHINONE | acs.jmed...)
Affinity DataIC50: 149nMAssay Description:Inhibition of ELAV1 (unknown origin)-ARE TNFalpha complex formation after 3 hrs by REMSA methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails Article
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
The State University of New Jersey

Curated by ChEMBL
LigandPNGBDBM50423877(Dihydrotanshinone I | DIHYDROTANSHINONE | acs.jmed...)
Affinity DataIC50: 590nMAssay 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
Ligand InfoPC cidPC sidPDB
In DepthDetails Article
PubMed
TargetLysine-specific histone demethylase 1A(Human)
Hangzhou Normal University

Curated by ChEMBL
LigandPNGBDBM50423877(Dihydrotanshinone I | DIHYDROTANSHINONE | acs.jmed...)
Affinity DataIC50: 1.59E+4nMAssay Description:Inhibition of KDM1A (unknown origin) by fluorescence based assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails
PubMed
TargetLysine-specific histone demethylase 1A(Human)
Hangzhou Normal University

Curated by ChEMBL
LigandPNGBDBM50423877(Dihydrotanshinone I | DIHYDROTANSHINONE | acs.jmed...)
Affinity DataIC50: 1.59E+4nMAssay Description:Inhibition of LSD1 (unknown origin) by Spectra Max Paradigm Microplate Reader analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails
PubMed
TargetReplicase polyprotein 1ab(SARS-CoV)
Michigan State University

LigandPNGBDBM50423877(Dihydrotanshinone I | DIHYDROTANSHINONE | acs.jmed...)
Affinity DataIC50: 1.44E+4nMAssay Description:This is a review article. Please point to the original journal.More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails Article
PubMed
LigandPNGBDBM50423877(Dihydrotanshinone I | DIHYDROTANSHINONE | acs.jmed...)
Affinity DataIC50: 1.20E+3nMAssay Description:Inhibition of Rattus norvegicus (rat) lens aldose reductaseMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails Article

TargetAcetylcholinesterase(Human)
New York Structural Biology Center

Curated by ChEMBL
LigandPNGBDBM50423877(Dihydrotanshinone I | DIHYDROTANSHINONE | acs.jmed...)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of acetylcholinesterase (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetEndothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha(Human)
Korean Research Institute of Biosciences and Biotechnology

Curated by ChEMBL
LigandPNGBDBM50423877(Dihydrotanshinone I | DIHYDROTANSHINONE | acs.jmed...)
Affinity DataIC50: 2.05E+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
Ligand InfoPC cidPC sidPDB
In DepthDetails Article
PubMed
TargetEndothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha(Human)
Korean Research Institute of Biosciences and Biotechnology

Curated by ChEMBL
LigandPNGBDBM50423877(Dihydrotanshinone I | DIHYDROTANSHINONE | acs.jmed...)
Affinity DataIC50: 2.29E+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
Ligand InfoPC cidPC sidPDB
In DepthDetails Article
PubMed
TargetELAV-like protein 1(Human)
University of Pavia

Curated by ChEMBL
LigandPNGBDBM50423877(Dihydrotanshinone I | DIHYDROTANSHINONE | acs.jmed...)
Affinity DataIC50: 68nMAssay Description:Inhibition of ELAV1 (unknown origin)-ARE TNFalpha complex formation after 90 mins by AlphaScreen assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails Article
PubMed
TargetReplicase polyprotein 1a(SARS-CoV)
Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL
LigandPNGBDBM50423877(Dihydrotanshinone I | DIHYDROTANSHINONE | acs.jmed...)
Affinity DataIC50: 4.90E+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
Ligand InfoPC cidPC sidPDB
In DepthDetails Article
PubMed
TargetReplicase polyprotein 1a(SARS-CoV)
Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL
LigandPNGBDBM50423877(Dihydrotanshinone I | DIHYDROTANSHINONE | acs.jmed...)
Affinity DataIC50: 1.07E+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
Ligand InfoPC cidPC sidPDB
In DepthDetails Article
PubMed
TargetReplicase polyprotein 1a(SARS-CoV)
Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL
LigandPNGBDBM50423877(Dihydrotanshinone I | DIHYDROTANSHINONE | acs.jmed...)
Affinity DataIC50: 1.20E+3nMAssay 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
Ligand InfoPC cidPC sidPDB
In DepthDetails Article
PubMed
TargetReplicase polyprotein 1a(SARS-CoV)
Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL
LigandPNGBDBM50423877(Dihydrotanshinone I | DIHYDROTANSHINONE | acs.jmed...)
Affinity DataIC50: 1.44E+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
Ligand InfoPC cidPC sidPDB
In DepthDetails Article
PubMed
TargetELAV-like protein 1(Human)
University of Pavia

Curated by ChEMBL
LigandPNGBDBM50423877(Dihydrotanshinone I | DIHYDROTANSHINONE | acs.jmed...)
Affinity DataKi:  50nMAssay Description:Binding affinity to human full length recombinant His-tagged HuR expressed in Escherichia coli Rosetta DH5alpha assessed as inhibition of interaction...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails Article
PubMed
TargetCocaine esterase(Human)
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM50423877(Dihydrotanshinone I | DIHYDROTANSHINONE | acs.jmed...)
Affinity DataKi:  118nMAssay Description:Inhibition of human iCE using o-NPA as substrate by spectrophotometric assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails Article
PubMed
TargetLiver carboxylesterase 1(Human)
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM50423877(Dihydrotanshinone I | DIHYDROTANSHINONE | acs.jmed...)
Affinity DataKi:  398nMAssay Description:Inhibition of human CE1 using o-NPA as substrate by spectrophotometric assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails Article
PubMed
TargetAcetylcholinesterase(Human)
New York Structural Biology Center

Curated by ChEMBL
LigandPNGBDBM50423877(Dihydrotanshinone I | DIHYDROTANSHINONE | acs.jmed...)
Affinity DataKi:  600nMAssay Description:Inhibition of human acetylcholinesteraseMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetAcetylcholinesterase(Human)
New York Structural Biology Center

Curated by ChEMBL
LigandPNGBDBM50423877(Dihydrotanshinone I | DIHYDROTANSHINONE | acs.jmed...)
Affinity DataKi:  750nM ΔG°:  -8.35kcal/molepH: 7.0 T: 2°CAssay Description:Assays were conducted at 25 C in 20 mM sodium phosphate buffer (pH 7.0) and 0.01% bovine serum albumin unless otherwise noted. AChE concentrations we...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetCocaine esterase(Human)
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM50423877(Dihydrotanshinone I | DIHYDROTANSHINONE | acs.jmed...)
Affinity DataKi:  1.83E+3nMAssay Description:Inhibition of human iCE using CPT-11 as substrate by spectrophotometric assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails Article
PubMed
TargetAcetylcholinesterase(Human)
New York Structural Biology Center

Curated by ChEMBL
LigandPNGBDBM50423877(Dihydrotanshinone I | DIHYDROTANSHINONE | acs.jmed...)
Affinity DataKi:  1.95E+3nMAssay Description:Inhibition of human AChE using acetylthiocholine as substrate by spectrophotometric assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetReplicase polyprotein 1ab(SARS-CoV)
Michigan State University

LigandPNGBDBM50423877(Dihydrotanshinone I | DIHYDROTANSHINONE | acs.jmed...)
Affinity DataKi:  1.12E+4nMAssay Description:This is a review article. Please point to the original journal.More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails Article
PubMed
TargetReplicase polyprotein 1a(SARS-CoV)
Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL
LigandPNGBDBM50423877(Dihydrotanshinone I | DIHYDROTANSHINONE | acs.jmed...)
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
Ligand InfoPC cidPC sidPDB
In DepthDetails Article
PubMed
TargetAcetylcholinesterase(Human)
New York Structural Biology Center

Curated by ChEMBL
LigandPNGBDBM50423877(Dihydrotanshinone I | DIHYDROTANSHINONE | acs.jmed...)
Affinity DataKi: >1.00E+5nMAssay Description:Inhibition of human BChE using butyrylthiocholine as substrate by spectrophotometric assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)