BDBM50009219 2-isopropyl-8,8-dimethyl-5,6,7,8-tetrahydrophenanthrene-3,4-dione::CHEMBL45830::MILTIRONE::acs.jmedchem.1c00409_ST.608::miltirone;2-Isopropyl-8,8-dimethyl-5,6,7,8-tetrahydro-phenanthrene-3,4-dione

SMILES CC(C)C1=Cc2ccc3c(CCCC3(C)C)c2C(=O)C1=O

InChI Key InChIKey=FEFAIBOZOKSLJR-UHFFFAOYSA-N

Data  7 KI  6 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 13 hits for monomerid = 50009219   

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

Curated by ChEMBL
LigandPNGBDBM50009219(2-isopropyl-8,8-dimethyl-5,6,7,8-tetrahydrophenant...)
Affinity DataIC50: 3.00E+4nMAssay 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 Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetReplicase polyprotein 1a(SARS-CoV)
Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL
LigandPNGBDBM50009219(2-isopropyl-8,8-dimethyl-5,6,7,8-tetrahydrophenant...)
Affinity DataIC50: 7.89E+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 Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetReplicase polyprotein 1a(SARS-CoV)
Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL
LigandPNGBDBM50009219(2-isopropyl-8,8-dimethyl-5,6,7,8-tetrahydrophenant...)
Affinity DataIC50: 6.02E+4nMAssay 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 Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetReplicase polyprotein 1a(SARS-CoV)
Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL
LigandPNGBDBM50009219(2-isopropyl-8,8-dimethyl-5,6,7,8-tetrahydrophenant...)
Affinity DataIC50: 2.11E+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 Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetPapain(Papaya)
Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL
LigandPNGBDBM50009219(2-isopropyl-8,8-dimethyl-5,6,7,8-tetrahydrophenant...)
Affinity DataIC50: 8.80E+4nMAssay Description:Inhibition of papaya papain using N-alpha-benzoyl-L-arginine-pnitroanilide as substrate after 5 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(SARS-CoV)
Michigan State University

LigandPNGBDBM50009219(2-isopropyl-8,8-dimethyl-5,6,7,8-tetrahydrophenant...)
Affinity DataIC50: 2.11E+4nMAssay 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
TargetCocaine esterase(Human)
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM50009219(2-isopropyl-8,8-dimethyl-5,6,7,8-tetrahydrophenant...)
Affinity DataKi:  40nMAssay Description:Inhibition of human iCE using o-NPA as substrate by spectrophotometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetCocaine esterase(Human)
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM50009219(2-isopropyl-8,8-dimethyl-5,6,7,8-tetrahydrophenant...)
Affinity DataKi:  84nMAssay Description:Inhibition of human iCE using CPT-11 as substrate by spectrophotometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetLiver carboxylesterase 1(Human)
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM50009219(2-isopropyl-8,8-dimethyl-5,6,7,8-tetrahydrophenant...)
Affinity DataKi:  2.53E+3nMAssay Description:Inhibition of human CE1 using o-NPA as substrate by spectrophotometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetLiver carboxylesterase 1(Human)
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM50009219(2-isopropyl-8,8-dimethyl-5,6,7,8-tetrahydrophenant...)
Affinity DataKi:  2.53E+3nMAssay Description:Inhibition of human liver carboxylesterase 1 using o-nitrophenyl acetate as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetReplicase polyprotein 1a(SARS-CoV)
Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL
LigandPNGBDBM50009219(2-isopropyl-8,8-dimethyl-5,6,7,8-tetrahydrophenant...)
Affinity DataKi:  2.15E+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 Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetAcetylcholinesterase(Human)
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM50009219(2-isopropyl-8,8-dimethyl-5,6,7,8-tetrahydrophenant...)
Affinity DataKi: >1.00E+5nMAssay Description:Inhibition of human BChE using butyrylthiocholine as substrate by spectrophotometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetAcetylcholinesterase(Human)
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM50009219(2-isopropyl-8,8-dimethyl-5,6,7,8-tetrahydrophenant...)
Affinity DataKi: >1.00E+5nMAssay Description:Inhibition of human AChE using acetylthiocholine as substrate by spectrophotometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed