BDBM50208827 2,3-bis(2-hydroxyethylthio)naphthalene-1,4-dione::CHEMBL429095::N1786 (NSC95397)::NSC 9539::NSC 95397::NSC-95397::cid_262093

SMILES OCCSC1=C(SCCO)C(=O)c2ccccc2C1=O

InChI Key InChIKey=MAASHDQFQDDECQ-UHFFFAOYSA-N

Data  26 IC50  1 Kd  1 EC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 28 hits for monomerid = 50208827   

TargetTyrosyl-DNA phosphodiesterase 2(Homo sapiens (Human))
University Of Manchester

Curated by ChEMBL
LigandPNGBDBM50208827(2,3-bis(2-hydroxyethylthio)naphthalene-1,4-dione |...)
Affinity DataIC50:  7.10E+4nMAssay Description:Inhibition of TDP2 (unknown origin) using 4-nitrophenyl phenylphosphonate as substrate after 60 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Michigan State University

LigandPNGBDBM50208827(2,3-bis(2-hydroxyethylthio)naphthalene-1,4-dione |...)
Affinity DataIC50:  1.79E+4nMAssay Description:This is a review article. Please point to the original journal.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHexokinase HKDC1 [W721R](Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50208827(2,3-bis(2-hydroxyethylthio)naphthalene-1,4-dione |...)
Affinity DataIC50:  3.15E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetM-phase inducer phosphatase 1/Protein-glutamine gamma-glutamyltransferase 2(Homo sapiens (Human))
Duke University Medical Center

LigandPNGBDBM50208827(2,3-bis(2-hydroxyethylthio)naphthalene-1,4-dione |...)
Affinity DataIC50:  1.00E+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
TargetCysteine protease ATG4B(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50208827(2,3-bis(2-hydroxyethylthio)naphthalene-1,4-dione |...)
Affinity DataIC50:  1.28E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetHexokinase HKDC1 [W721R](Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50208827(2,3-bis(2-hydroxyethylthio)naphthalene-1,4-dione |...)
Affinity DataIC50:  8.11E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetPhospholipase A2(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50208827(2,3-bis(2-hydroxyethylthio)naphthalene-1,4-dione |...)
Affinity DataIC50:  5.55E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetToll-like receptor 9(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50208827(2,3-bis(2-hydroxyethylthio)naphthalene-1,4-dione |...)
Affinity DataIC50:  1.87E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetBeta-lactamase(Pseudomonas aeruginosa)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50208827(2,3-bis(2-hydroxyethylthio)naphthalene-1,4-dione |...)
Affinity DataIC50:  1.21E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetCaspase-9(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50208827(2,3-bis(2-hydroxyethylthio)naphthalene-1,4-dione |...)
Affinity DataIC50:  9.83E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetApoptotic protease-activating factor 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50208827(2,3-bis(2-hydroxyethylthio)naphthalene-1,4-dione |...)
Affinity DataIC50:  1.27E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetApoptotic protease-activating factor 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50208827(2,3-bis(2-hydroxyethylthio)naphthalene-1,4-dione |...)
Affinity DataIC50: >1.00E+5nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetM-phase inducer phosphatase 2(Homo sapiens (Human))
Sejong University

Curated by ChEMBL
LigandPNGBDBM50208827(2,3-bis(2-hydroxyethylthio)naphthalene-1,4-dione |...)
Affinity DataIC50:  100nMAssay Description:Inhibition of GST tagged Cdc25BMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetM-phase inducer phosphatase 1(Homo sapiens (Human))
Sejong University

Curated by ChEMBL
LigandPNGBDBM50208827(2,3-bis(2-hydroxyethylthio)naphthalene-1,4-dione |...)
Affinity DataIC50:  5.49E+3nMAssay Description:Inhibition of Cdc25A (336-523) (unknown origin) expressed in Escherichia coliMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetM-phase inducer phosphatase 2(Homo sapiens (Human))
Sejong University

Curated by ChEMBL
LigandPNGBDBM50208827(2,3-bis(2-hydroxyethylthio)naphthalene-1,4-dione |...)
Affinity DataIC50:  1.92E+4nMAssay Description:Inhibition of Cdc25B (378-566) (unknown origin) expressed in Escherichia coliMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetM-phase inducer phosphatase 1(Homo sapiens (Human))
Sejong University

Curated by ChEMBL
LigandPNGBDBM50208827(2,3-bis(2-hydroxyethylthio)naphthalene-1,4-dione |...)
Affinity DataIC50:  5.50E+3nMAssay Description:Inhibition of N-terminal 6xHis-tagged human Cdc25A (336-523) catalytic domain expressed in Escherichia coli after 20 mins by fluorescent plate reader...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetM-phase inducer phosphatase 2(Homo sapiens (Human))
Sejong University

Curated by ChEMBL
LigandPNGBDBM50208827(2,3-bis(2-hydroxyethylthio)naphthalene-1,4-dione |...)
Affinity DataIC50:  1.92E+4nMAssay Description:Inhibition of N-terminal 6xHis-tagged (378-566) catalytic domain of Cdc25B expressed in Escherichia coli after 20 mins by by fluorescent plate reader...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetM-phase inducer phosphatase 1(Homo sapiens (Human))
Sejong University

Curated by ChEMBL
LigandPNGBDBM50208827(2,3-bis(2-hydroxyethylthio)naphthalene-1,4-dione |...)
Affinity DataIC50:  22nMAssay Description:Inhibition of human Cdc25AMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetM-phase inducer phosphatase 2(Homo sapiens (Human))
Sejong University

Curated by ChEMBL
LigandPNGBDBM50208827(2,3-bis(2-hydroxyethylthio)naphthalene-1,4-dione |...)
Affinity DataIC50:  125nMAssay Description:Inhibition of human Cdc25BMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetM-phase inducer phosphatase 3(Homo sapiens (Human))
Max Planck Institute Of Molecular Physiology

Curated by ChEMBL
LigandPNGBDBM50208827(2,3-bis(2-hydroxyethylthio)naphthalene-1,4-dione |...)
Affinity DataIC50:  56.9nMAssay Description:Inhibition of human Cdc25CMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetM-phase inducer phosphatase 2(Homo sapiens (Human))
Sejong University

Curated by ChEMBL
LigandPNGBDBM50208827(2,3-bis(2-hydroxyethylthio)naphthalene-1,4-dione |...)
Affinity DataIC50:  3.77E+3nMAssay Description:Inhibition of human recombinant fused MBP-CDC25B3More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetM-phase inducer phosphatase 1(Homo sapiens (Human))
Sejong University

Curated by ChEMBL
LigandPNGBDBM50208827(2,3-bis(2-hydroxyethylthio)naphthalene-1,4-dione |...)
Affinity DataIC50:  55nMAssay Description:Compound was evaluated for functional activation from channel currents at human Nicotinic acetylcholine receptor alpha-7 expressed in oocytes.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetM-phase inducer phosphatase 3(Homo sapiens (Human))
Max Planck Institute Of Molecular Physiology

Curated by ChEMBL
LigandPNGBDBM50208827(2,3-bis(2-hydroxyethylthio)naphthalene-1,4-dione |...)
Affinity DataIC50:  78nMAssay Description:Inhibition of recombinant human full length GST-tagged CDC25C expressed in Escherichia coli BL21-DE3 pLysS using 3-O-methylfluorescein phosphate as s...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Michigan State University

LigandPNGBDBM50208827(2,3-bis(2-hydroxyethylthio)naphthalene-1,4-dione |...)
Affinity DataIC50:  1.79E+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
TargetM-phase inducer phosphatase 1(Homo sapiens (Human))
Sejong University

Curated by ChEMBL
LigandPNGBDBM50208827(2,3-bis(2-hydroxyethylthio)naphthalene-1,4-dione |...)
Affinity DataIC50:  1.40E+3nMAssay Description:Inhibition of recombinant Cdc25A (unknown origin) using OMFP as substrate measured every 30 sec for 10 mins by fluorometric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetM-phase inducer phosphatase 2(Homo sapiens (Human))
Sejong University

Curated by ChEMBL
LigandPNGBDBM50208827(2,3-bis(2-hydroxyethylthio)naphthalene-1,4-dione |...)
Affinity DataIC50:  780nMAssay Description:Inhibition of recombinant Cdc25B (unknown origin) using OMFP as substrate measured every 30 sec for 10 mins by fluorometric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDual specificity mitogen-activated protein kinase kinase 7(Homo sapiens (Human))
Montana State University

Curated by ChEMBL
LigandPNGBDBM50208827(2,3-bis(2-hydroxyethylthio)naphthalene-1,4-dione |...)
Affinity DataKd:  1.10E+3nMAssay Description:Binding affinity to MKK7 (unknown origin) expressed in HEK293 cells assessed as dissociation constant by kinomescan methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLarge T antigen(Simian virus 40)
Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50208827(2,3-bis(2-hydroxyethylthio)naphthalene-1,4-dione |...)
Affinity DataEC50:  2.82E+4nMAssay Description:Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay