BDBM81348 β-Lapachone (A3)::Beta lapachone::R115 (Reactive Blue 2)::beta-Lapachone

SMILES CC1(C)CCC2=C(O1)c1ccccc1C(=O)C2=O

InChI Key InChIKey=QZPQTZZNNJUOLS-UHFFFAOYSA-N

Data  5 KI  23 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 28 hits for monomerid = 81348   

TargetReplicase polyprotein 1ab(2019-nCoV)
National Institutes of Health

LigandPNGBDBM81348(R115 (Reactive Blue 2) | β-Lapachone (A3) | b...)
Affinity DataIC50: 1.33E+4nMAssay Description:The 3CLpro enzyme assay was developed in 384-well black, medium binding microplates (Greiner Bio-One, Monroe, NC, USA) with a total volume of 20 _...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/21/2020
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
National Institutes of Health

LigandPNGBDBM81348(R115 (Reactive Blue 2) | β-Lapachone (A3) | b...)
Affinity DataIC50: 610nMAssay 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
TargetIndoleamine 2,3-dioxygenase 1(Human)
Panjab University

Curated by ChEMBL
LigandPNGBDBM81348(R115 (Reactive Blue 2) | β-Lapachone (A3) | b...)
Affinity DataIC50: 440nMAssay Description:Inhibition of human recombinant IDO1 expressed in Escherichia coliMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/20/2024
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
National Institutes of Health

LigandPNGBDBM81348(R115 (Reactive Blue 2) | β-Lapachone (A3) | b...)
Affinity DataIC50: 1.33E+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
TargetIndoleamine 2,3-dioxygenase 1(Human)
Panjab University

Curated by ChEMBL
LigandPNGBDBM81348(R115 (Reactive Blue 2) | β-Lapachone (A3) | b...)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of IDO1 in IFNgamma-induced human HeLa cells incubated for 5 hrs by Ehrlich's reagent based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetIndoleamine 2,3-dioxygenase 1(Human)
Panjab University

Curated by ChEMBL
LigandPNGBDBM81348(R115 (Reactive Blue 2) | β-Lapachone (A3) | b...)
Affinity DataIC50: 440nMAssay Description:Inhibition of purified human recombinant IDO1 expressed in Escherichia coli assessed as reduction in kynurenine production incubated up to 90 mins us...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetIndoleamine 2,3-dioxygenase 1(Human)
Panjab University

Curated by ChEMBL
LigandPNGBDBM81348(R115 (Reactive Blue 2) | β-Lapachone (A3) | b...)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of IDO1 in IFNgamma-induced human HeLa cells incubated for 5 hrs by Ehrlich's reagent based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetIndoleamine 2,3-dioxygenase 1(Human)
Panjab University

Curated by ChEMBL
LigandPNGBDBM81348(R115 (Reactive Blue 2) | β-Lapachone (A3) | b...)
Affinity DataIC50: 440nMAssay Description:Inhibition of purified human recombinant IDO1 expressed in Escherichia coli assessed as reduction in kynurenine production incubated up to 90 mins us...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetChaperonin GroEL(Escherichia coli)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM81348(R115 (Reactive Blue 2) | β-Lapachone (A3) | b...)
Affinity DataIC50: 2.50E+5nMAssay Description:Inhibition of ATPase activity of Escherichia coli GroEL expressed in Escherichia coliDH5alpha incubated for 60 mins using ATP by spectrometric analys...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMed
Target60 kDa heat shock protein, mitochondrial(Human)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM81348(R115 (Reactive Blue 2) | β-Lapachone (A3) | b...)
Affinity DataIC50: 2.10E+3nMAssay Description:Inhibition of human N-terminal octa-His-tagged HSP60 expressed in Escherichia coli Rosetta(DE3) pLysS/human HSP10 expressed in Escherichia coli Roset...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMed
TargetCo-chaperonin GroES(Escherichia coli)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM81348(R115 (Reactive Blue 2) | β-Lapachone (A3) | b...)
Affinity DataIC50: 1.30E+3nMAssay Description:Inhibition of Escherichia coli GroEL expressed in Escherichia coliDH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMed
TargetCo-chaperonin GroES(Escherichia coli)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM81348(R115 (Reactive Blue 2) | β-Lapachone (A3) | b...)
Affinity DataIC50: 590nMAssay Description:Inhibition of Escherichia coli GroEL expressed in Escherichia coli DH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMed
TargetThiosulfate sulfurtransferase(Human)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM81348(R115 (Reactive Blue 2) | β-Lapachone (A3) | b...)
Affinity DataIC50: 120nMAssay Description:Inhibition of native rhodanese (unknown origin) assessed as reduction in rhodanese enzyme activity after 45 mins by Fe(SCN)3 dye based spectrometric ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMed
TargetTyrosyl-DNA phosphodiesterase 2(Human)
University of Manchester

Curated by ChEMBL
LigandPNGBDBM81348(R115 (Reactive Blue 2) | β-Lapachone (A3) | b...)
Affinity DataIC50: 970nMAssay Description:Inhibition of TDP2 (unknown origin) using 4-nitrophenyl phenylphosphonate as substrate after 60 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetNADPH--cytochrome P450 reductase(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM81348(R115 (Reactive Blue 2) | β-Lapachone (A3) | b...)
Affinity DataIC50: 1.10E+4nMAssay Description:Substrate activity at CPR in human L02 cells assessed as CPR-mediated one-electron reduction of compound by measuring cell growth inhibition treated ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/29/2019
Entry Details Article
PubMed
TargetNAD(P)H dehydrogenase [quinone] 1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM81348(R115 (Reactive Blue 2) | β-Lapachone (A3) | b...)
Affinity DataIC50: 3.00E+3nMAssay Description:Substrate activity at NQO1 in human A549 cells assessed as NQO1-mediated two-electron reduction of compound by measuring cell growth inhibition treat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/29/2019
Entry Details Article
PubMed
TargetNAD(P)H dehydrogenase [quinone] 1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM81348(R115 (Reactive Blue 2) | β-Lapachone (A3) | b...)
Affinity DataIC50: 3.40E+3nMAssay Description:Activation of NQO1 in human A549 cells assessed as decrease in cell survival incubated for 2 hrs measured after 7 days by Hoechst 33258 staining base...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/2/2018
Entry Details Article
PubMed
TargetNAD(P)H dehydrogenase [quinone] 1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM81348(R115 (Reactive Blue 2) | β-Lapachone (A3) | b...)
Affinity DataIC50: 1.00E+4nMAssay Description:Activation of NQO1 in human A549 cells assessed as decrease in cell survival incubated for 2 hrs measured after 7 days in presence of NQO1 inhibitor ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/2/2018
Entry Details Article
PubMed
TargetMucosa-associated lymphoid tissue lymphoma translocation protein 1(Human)
Institute of Basic Science (Ibs)

Curated by ChEMBL
LigandPNGBDBM81348(R115 (Reactive Blue 2) | β-Lapachone (A3) | b...)
Affinity DataIC50: 1.90E+3nMAssay Description:Inhibition of MALT1 in human Jurkat cell lysate preincubated for 2 hrs followed by addition of 25 uM Ac-LRSR-AMC substrate for 3 hrs by fluorescence ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2016
Entry Details Article
PubMed
TargetMucosa-associated lymphoid tissue lymphoma translocation protein 1(Human)
Institute of Basic Science (Ibs)

Curated by ChEMBL
LigandPNGBDBM81348(R115 (Reactive Blue 2) | β-Lapachone (A3) | b...)
Affinity DataIC50: 1.20E+3nMAssay Description:Inhibition of His-tagged human MALT1 (catalytic domain-339-719 aa) by fluorescence based assay using 25 uM Ac-LRSR-AMC as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2016
Entry Details Article
PubMed
TargetLysine-specific demethylase 4E(Human)
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM81348(R115 (Reactive Blue 2) | β-Lapachone (A3) | b...)
Affinity DataIC50: 3.00E+3nMAssay Description:Inhibition of JMJD2EMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMed
TargetCaspase-1(Human)
Depaul University

LigandPNGBDBM81348(R115 (Reactive Blue 2) | β-Lapachone (A3) | b...)
Affinity DataIC50: 1.69E+3nMpH: 7.5 T: 2°CAssay Description:All assays were performed at 100 µL total volume in triplicate and monitored for 60 minutes at room temperature in a 96-well plate format in HEPES Bu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/29/2016
Entry Details Article
PubMed
TargetProtein-glutamine gamma-glutamyltransferase 2(Human)
Duke University Medical Center

LigandPNGBDBM81348(R115 (Reactive Blue 2) | β-Lapachone (A3) | b...)
Affinity DataIC50: 1.80E+3nMT: 2°CAssay Description:In order to eliminated fluorescence interference, chemicals were subjected to a secondary screening using colorimetric BP incorporation assay. TGase...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2011
Entry Details Article
PubMed
TargetIndoleamine 2,3-dioxygenase 1(Human)
Panjab University

Curated by ChEMBL
LigandPNGBDBM81348(R115 (Reactive Blue 2) | β-Lapachone (A3) | b...)
Affinity DataKi:  100nMAssay Description:Noncompetitive inhibition of human recombinant IDO1 expressed in Escherichia coli by Michaelis-Menton nonlinear regression plot analysis in presence ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/4/2020
Entry Details Article
PubMed
TargetIndoleamine 2,3-dioxygenase 1(Human)
Panjab University

Curated by ChEMBL
LigandPNGBDBM81348(R115 (Reactive Blue 2) | β-Lapachone (A3) | b...)
Affinity DataKi:  100nMAssay Description:Inhibition of IDO1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2022
Entry Details Article
PubMed
TargetCocaine esterase(Human)
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM81348(R115 (Reactive Blue 2) | β-Lapachone (A3) | b...)
Affinity DataKi:  109nMAssay Description:Inhibition of human intestinal CES2 expressed in baculovirus infected sf9 cells using o-nitrophenyl acetate as substrate monitored at 15 secs interva...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/29/2019
Entry Details Article
PubMed
TargetLiver carboxylesterase 1(Human)
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM81348(R115 (Reactive Blue 2) | β-Lapachone (A3) | b...)
Affinity DataKi:  1.22E+3nMAssay Description:Inhibition of human liver CES1 expressed in baculovirus infected sf9 cells using oseltamivir as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/29/2019
Entry Details Article
PubMed
TargetLysine-specific demethylase 4E(Human)
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM81348(R115 (Reactive Blue 2) | β-Lapachone (A3) | b...)
Affinity DataKi:  3.55E+3nMAssay Description:Non-competitive inhibition of JMJD2E relative to alpha-ketoglutarateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMed