BDBM22851 1,2-Dione-Based Compound, 8::1,2-dihydronaphthalene-1,2-dione::1,2-naphthoquinone::CHEMBL52347::cid_10667

SMILES O=C1C=Cc2ccccc2C1=O

InChI Key InChIKey=KETQAJRQOHHATG-UHFFFAOYSA-N

Data  4 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 27 hits for monomerid = 22851   

TargetAcetylcholinesterase(Homo sapiens (Human))
St. Jude Research Hospital

LigandPNGBDBM22851(1,2-Dione-Based Compound, 8 | 1,2-dihydronaphthale...)
Affinity DataKi:  320nMAssay Description:The cholinesterase assays were performed using colorimetric method reported by Ellman. Estimates of the competitive inhibition constants (Ki) were ob...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLiver carboxylesterase 1(Homo sapiens (Human))
St. Jude Research Hospital

LigandPNGBDBM22851(1,2-Dione-Based Compound, 8 | 1,2-dihydronaphthale...)
Affinity DataKi:  930nM ΔG°:  -8.22kcal/molepH: 7.4 T: 2°CAssay Description:CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCholinesterase(Homo sapiens (Human))
St. Jude Research Hospital

LigandPNGBDBM22851(1,2-Dione-Based Compound, 8 | 1,2-dihydronaphthale...)
Affinity DataKi:  2.29E+3nMAssay Description:The cholinesterase assays were performed using colorimetric method reported by Ellman. Estimates of the competitive inhibition constants (Ki) were ob...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCoagulation factor XII(Homo sapiens (Human))
St. Jude Research Hospital

LigandPNGBDBM22851(1,2-Dione-Based Compound, 8 | 1,2-dihydronaphthale...)
Affinity DataKi:  2.40E+3nM ΔG°:  -7.66kcal/molepH: 7.4 T: 2°CAssay Description:CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDual specificity protein phosphatase 6(Rattus norvegicus)
University of Pittsburgh

Curated by PubChem BioAssay
LigandPNGBDBM22851(1,2-Dione-Based Compound, 8 | 1,2-dihydronaphthale...)
Affinity DataIC50:  1.83E+3nMAssay Description:The in vitro MKP-3 Phosphatase dose response hit/probe assessment assay has been developed and run at the University of Pittsburgh Molecular Screenin...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetM-phase inducer phosphatase 2(Homo sapiens (Human))
University of Pittsburgh

Curated by PubChem BioAssay
LigandPNGBDBM22851(1,2-Dione-Based Compound, 8 | 1,2-dihydronaphthale...)
Affinity DataIC50: >5.00E+4nMAssay Description:The Cdc25B Phosphatase probe assessment dose response assay in 25 mM DTT has been developed to assess actives that were identified in the Cdc25B HTS ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetM-phase inducer phosphatase 2(Homo sapiens (Human))
University of Pittsburgh

Curated by PubChem BioAssay
LigandPNGBDBM22851(1,2-Dione-Based Compound, 8 | 1,2-dihydronaphthale...)
Affinity DataIC50:  1.22E+4nMAssay Description:The Cdc25B Phosphatase probe assessment dose response reproducibility assay has been developed to re-confirm actives that were identified in the Cdc2...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetDual specificity protein phosphatase 1(Homo sapiens (Human))
University of Pittsburgh

Curated by PubChem BioAssay
LigandPNGBDBM22851(1,2-Dione-Based Compound, 8 | 1,2-dihydronaphthale...)
Affinity DataIC50:  3.64E+4nMAssay Description:The MKP-1 dose response assay Active/Probe Assessment Assay - Reproducibility testing has been developed to test the reproducibility of MKP-1 inhibit...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetDual specificity protein phosphatase 6(Rattus norvegicus)
University of Pittsburgh

Curated by PubChem BioAssay
LigandPNGBDBM22851(1,2-Dione-Based Compound, 8 | 1,2-dihydronaphthale...)
Affinity DataIC50: >5.00E+4nMAssay Description:The MKP-3 dose response Active/Probe assessment-Catalase assay has been developed to evaluate the effects of adding 100 U/mL of Catalase on the MKP-3...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetTyrosine-protein phosphatase non-receptor type 22(Homo sapiens (Human))
University Of Utah

Curated by ChEMBL
LigandPNGBDBM22851(1,2-Dione-Based Compound, 8 | 1,2-dihydronaphthale...)
Affinity DataIC50:  1.10E+3nMAssay Description:Inhibition of LYP (unknown origin) using DiFMUP substrate incubated for 2 hrsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetM-phase inducer phosphatase 2(Homo sapiens (Human))
University of Pittsburgh

Curated by PubChem BioAssay
LigandPNGBDBM22851(1,2-Dione-Based Compound, 8 | 1,2-dihydronaphthale...)
Affinity DataIC50:  1.31E+4nMAssay Description:The Cdc25B Phosphatase HTS dose response confirmation has been developed to confirm actives identified in the Cdc25B HTS AID 368, screened at the Uni...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetM-phase inducer phosphatase 2(Homo sapiens (Human))
University of Pittsburgh

Curated by PubChem BioAssay
LigandPNGBDBM22851(1,2-Dione-Based Compound, 8 | 1,2-dihydronaphthale...)
Affinity DataIC50:  2.54E+4nMAssay Description:The Cdc25B Phosphatase probe assessment dose response assay in Catalase has been developed to assess actives that were identified in the Cdc25B HTS A...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetM-phase inducer phosphatase 2(Homo sapiens (Human))
University of Pittsburgh

Curated by PubChem BioAssay
LigandPNGBDBM22851(1,2-Dione-Based Compound, 8 | 1,2-dihydronaphthale...)
Affinity DataIC50: >5.00E+4nMAssay Description:The Cdc25B Phosphatase probe assessment dose response assay in 25 mM DTT with Catalase has been developed to assess actives that were identified in t...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetM-phase inducer phosphatase 2(Homo sapiens (Human))
University of Pittsburgh

Curated by PubChem BioAssay
LigandPNGBDBM22851(1,2-Dione-Based Compound, 8 | 1,2-dihydronaphthale...)
Affinity DataIC50:  2.04E+4nMAssay Description:The Cdc25B Phosphatase probe assessment dose response assay in Beta-Mercaptoethanol (BME) has been developed to assess actives that were identified i...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetM-phase inducer phosphatase 2(Homo sapiens (Human))
University of Pittsburgh

Curated by PubChem BioAssay
LigandPNGBDBM22851(1,2-Dione-Based Compound, 8 | 1,2-dihydronaphthale...)
Affinity DataIC50:  2.50E+4nMAssay Description:The Cdc25B Phosphatase probe assessment dose response assay in Glutathione (GSH) has been developed to assess actives that were identified in the Cdc...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetDual specificity protein phosphatase 6(Rattus norvegicus)
University of Pittsburgh

Curated by PubChem BioAssay
LigandPNGBDBM22851(1,2-Dione-Based Compound, 8 | 1,2-dihydronaphthale...)
Affinity DataIC50: >5.00E+4nMAssay Description:The Cdc25B Phosphatase probe assessment MKP-1 dose response selectivity assay has been developed to test the phosphatase specificity of actives that ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetDual specificity protein phosphatase 1(Homo sapiens (Human))
University of Pittsburgh

Curated by PubChem BioAssay
LigandPNGBDBM22851(1,2-Dione-Based Compound, 8 | 1,2-dihydronaphthale...)
Affinity DataIC50: >5.00E+4nMAssay Description:The Cdc25B Phosphatase probe assessment MKP-1 dose response selectivity assay has been developed to test the phosphatase specificity of actives that ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetM-phase inducer phosphatase 2(Homo sapiens (Human))
University of Pittsburgh

Curated by PubChem BioAssay
LigandPNGBDBM22851(1,2-Dione-Based Compound, 8 | 1,2-dihydronaphthale...)
Affinity DataIC50:  1.90E+4nMAssay Description:The MKP-1 Dual Specificity Protein Tyrosine Phosphatase Probe Assessment Cdc25B Dose Response Selectivity Assay has been developed to evaluate the PT...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetGenome polyprotein(Human rhinovirus B)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM22851(1,2-Dione-Based Compound, 8 | 1,2-dihydronaphthale...)
Affinity DataIC50:  8.20E+3nMAssay Description:Inhibitory activity against HRV 3Cpro using HPLC assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReceptor-type tyrosine-protein phosphatase C(Homo sapiens (Human))
Astrazeneca Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM22851(1,2-Dione-Based Compound, 8 | 1,2-dihydronaphthale...)
Affinity DataIC50:  3.00E+3nMAssay Description:In vitro inhibitory activity against the cytosolic portion of CD45 protein-tyrosine phosphatase using pNPP as the substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPapain(Carica papaya)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM22851(1,2-Dione-Based Compound, 8 | 1,2-dihydronaphthale...)
Affinity DataIC50:  1.20E+5nMAssay Description:Inhibitory activity against papain using HPLC assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein phosphatase non-receptor type 1(Homo sapiens (Human))
Korea Research Institute Of Chemical Technology

Curated by ChEMBL
LigandPNGBDBM22851(1,2-Dione-Based Compound, 8 | 1,2-dihydronaphthale...)
Affinity DataIC50:  1.64E+3nMAssay Description:Inhibition of human Protein-tyrosine phosphatase 1B (PTP1B) using fluoreacein diphosphate (FDP)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDual specificity protein phosphatase 1(Homo sapiens (Human))
University of Pittsburgh

Curated by PubChem BioAssay
LigandPNGBDBM22851(1,2-Dione-Based Compound, 8 | 1,2-dihydronaphthale...)
Affinity DataIC50:  2.25E+4nMAssay Description:The MKP-1 dose response Active/Probe assessment-Catalase assay has been developed to evaluate the effects of adding 100 U/mL of Catalase on the MKP-1...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetDual specificity protein phosphatase 1(Homo sapiens (Human))
University of Pittsburgh

Curated by PubChem BioAssay
LigandPNGBDBM22851(1,2-Dione-Based Compound, 8 | 1,2-dihydronaphthale...)
Affinity DataIC50:  2.25E+4nMAssay Description:The MKP-1 dose response Active/Probe assessment-DTT assay has been developed to evaluate the effects of increased DTT concentration on the MKP-1 inhi...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetDual specificity protein phosphatase 1(Homo sapiens (Human))
University of Pittsburgh

Curated by PubChem BioAssay
LigandPNGBDBM22851(1,2-Dione-Based Compound, 8 | 1,2-dihydronaphthale...)
Affinity DataIC50:  1.84E+4nMpH: 7.0 T: 2°CAssay Description:The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
Bryn Mawr College

LigandPNGBDBM22851(1,2-Dione-Based Compound, 8 | 1,2-dihydronaphthale...)
Affinity DataIC50:  7.10E+3nMpH: 6.5 T: 2°CAssay Description:The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDual specificity protein phosphatase 6(Rattus norvegicus)
University of Pittsburgh

Curated by PubChem BioAssay
LigandPNGBDBM22851(1,2-Dione-Based Compound, 8 | 1,2-dihydronaphthale...)
Affinity DataIC50: >5.00E+4nMAssay Description:The MKP-3 dose response assay Active/Probe Assessment Assay - Reproducibility testing has been developed to test the reproducibility of MKP-3 inhibit...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay