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  22 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 27 hits for monomerid = 81348   

TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
Sib Swiss Institute Of Bioinformatics

Curated by ChEMBL
LigandPNGBDBM81348(β-Lapachone (A3) | Beta lapachone | R115 (Rea...)
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 DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
Sib Swiss Institute Of Bioinformatics

Curated by ChEMBL
LigandPNGBDBM81348(β-Lapachone (A3) | Beta lapachone | R115 (Rea...)
Affinity DataKi:  100nMAssay Description:Inhibition of IDO1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCocaine esterase(Homo sapiens (Human))
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM81348(β-Lapachone (A3) | Beta lapachone | R115 (Rea...)
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 DepthDetails ArticlePubMed
TargetLiver carboxylesterase 1(Homo sapiens (Human))
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM81348(β-Lapachone (A3) | Beta lapachone | R115 (Rea...)
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 DepthDetails ArticlePubMed
TargetLysine-specific demethylase 4E(Homo sapiens (Human))
University Of Copenhagen

Curated by ChEMBL
LigandPNGBDBM81348(β-Lapachone (A3) | Beta lapachone | R115 (Rea...)
Affinity DataKi:  3.55E+3nMAssay Description:Non-competitive inhibition of JMJD2E relative to alpha-ketoglutarateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMucosa-associated lymphoid tissue lymphoma translocation protein 1(Homo sapiens (Human))
Institute Of Basic Science (Ibs)

Curated by ChEMBL
LigandPNGBDBM81348(β-Lapachone (A3) | Beta lapachone | R115 (Rea...)
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 DepthDetails ArticlePubMed
TargetNAD(P)H dehydrogenase [quinone] 1(Homo sapiens (Human))
Federal University Of Minas Gerais

Curated by ChEMBL
LigandPNGBDBM81348(β-Lapachone (A3) | Beta lapachone | R115 (Rea...)
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 DepthDetails ArticlePubMed
TargetNAD(P)H dehydrogenase [quinone] 1(Homo sapiens (Human))
Federal University Of Minas Gerais

Curated by ChEMBL
LigandPNGBDBM81348(β-Lapachone (A3) | Beta lapachone | R115 (Rea...)
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 DepthDetails ArticlePubMed
TargetNAD(P)H dehydrogenase [quinone] 1(Homo sapiens (Human))
Federal University Of Minas Gerais

Curated by ChEMBL
LigandPNGBDBM81348(β-Lapachone (A3) | Beta lapachone | R115 (Rea...)
Affinity DataIC50:  3.00E+3nMAssay Description:Inhibitory concentration required for antagonistic activity at Metabotropic glutamate receptor 2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNADPH--cytochrome P450 reductase(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM81348(β-Lapachone (A3) | Beta lapachone | R115 (Rea...)
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 DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
The State University Of New Jersey

Curated by ChEMBL
LigandPNGBDBM81348(β-Lapachone (A3) | Beta lapachone | R115 (Rea...)
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 DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
The State University Of New Jersey

Curated by ChEMBL
LigandPNGBDBM81348(β-Lapachone (A3) | Beta lapachone | R115 (Rea...)
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 DepthDetails ArticlePubMed
TargetThiosulfate sulfurtransferase(Homo sapiens)
Indiana University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM81348(β-Lapachone (A3) | Beta lapachone | R115 (Rea...)
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 DepthDetails ArticlePubMed
TargetCo-chaperonin GroES(Escherichia coli)
Indiana University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM81348(β-Lapachone (A3) | Beta lapachone | R115 (Rea...)
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 DepthDetails ArticlePubMed
TargetCo-chaperonin GroES(Escherichia coli)
Indiana University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM81348(β-Lapachone (A3) | Beta lapachone | R115 (Rea...)
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 DepthDetails ArticlePubMed
Target60 kDa heat shock protein, mitochondrial(Homo sapiens)
Indiana University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM81348(β-Lapachone (A3) | Beta lapachone | R115 (Rea...)
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 DepthDetails ArticlePubMed
TargetChaperonin GroEL(Escherichia coli)
Indiana University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM81348(β-Lapachone (A3) | Beta lapachone | R115 (Rea...)
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 DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
Sib Swiss Institute Of Bioinformatics

Curated by ChEMBL
LigandPNGBDBM81348(β-Lapachone (A3) | Beta lapachone | R115 (Rea...)
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 DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
Sib Swiss Institute Of Bioinformatics

Curated by ChEMBL
LigandPNGBDBM81348(β-Lapachone (A3) | Beta lapachone | R115 (Rea...)
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 DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
Sib Swiss Institute Of Bioinformatics

Curated by ChEMBL
LigandPNGBDBM81348(β-Lapachone (A3) | Beta lapachone | R115 (Rea...)
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 DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
Sib Swiss Institute Of Bioinformatics

Curated by ChEMBL
LigandPNGBDBM81348(β-Lapachone (A3) | Beta lapachone | R115 (Rea...)
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 DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
The State University Of New Jersey

Curated by ChEMBL
LigandPNGBDBM81348(β-Lapachone (A3) | Beta lapachone | R115 (Rea...)
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 DepthDetails ArticlePubMed
TargetProtein-glutamine gamma-glutamyltransferase 2(Homo sapiens (Human))
Duke University Medical Center

LigandPNGBDBM81348(β-Lapachone (A3) | Beta lapachone | R115 (Rea...)
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 DepthDetails ArticlePubMed
TargetMucosa-associated lymphoid tissue lymphoma translocation protein 1(Homo sapiens (Human))
Institute Of Basic Science (Ibs)

Curated by ChEMBL
LigandPNGBDBM81348(β-Lapachone (A3) | Beta lapachone | R115 (Rea...)
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 DepthDetails ArticlePubMed
TargetTyrosyl-DNA phosphodiesterase 2(Homo sapiens (Human))
University Of Manchester

Curated by ChEMBL
LigandPNGBDBM81348(β-Lapachone (A3) | Beta lapachone | R115 (Rea...)
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 DepthDetails ArticlePubMed
TargetCaspase-1(Homo sapiens (Human))
Depaul University

LigandPNGBDBM81348(β-Lapachone (A3) | Beta lapachone | R115 (Rea...)
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 DepthDetails ArticlePubMed
TargetLysine-specific demethylase 4E(Homo sapiens (Human))
University Of Copenhagen

Curated by ChEMBL
LigandPNGBDBM81348(β-Lapachone (A3) | Beta lapachone | R115 (Rea...)
Affinity DataIC50:  3.00E+3nMAssay Description:Inhibition of JMJD2EMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed