BDBM36880 2,2'-THIOBIS(4,6-DICHLOROPHENOL)::2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfanylphenol::2,4-dichloro-6-[(3,5-dichloro-2-hydroxy-phenyl)thio]phenol::2,4-dichloro-6-[(3,5-dichloro-2-hydroxyphenyl)thio]phenol::2-[3,5-bis(chloranyl)-2-oxidanyl-phenyl]sulfanyl-4,6-bis(chloranyl)phenol::Bithionol::HL-3::MLS000028403::SMR000058374::cid_2406

SMILES Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O

InChI Key InChIKey=JFIOVJDNOJYLKP-UHFFFAOYSA-N

Data  21 IC50  2 Kd  5 EC50

PDB links: 3 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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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 = 36880   

TargetSphingosine 1-phosphate receptor 1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM36880(2,2'-THIOBIS(4,6-DICHLOROPHENOL) | 2,4-dichlor...)
Affinity DataEC50:  2.18E+3nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetPup--protein ligase(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM36880(2,2'-THIOBIS(4,6-DICHLOROPHENOL) | 2,4-dichlor...)
Affinity DataIC50:  1.59E+4nMAssay Description:Inhibition of Mycobacterium tuberculosis PafA expressed in Escherichia coli BL-21(DE3) assessed as inhibition of pup-ylation using Mtb PanB substrate...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetSphingosine 1-phosphate receptor 1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM36880(2,2'-THIOBIS(4,6-DICHLOROPHENOL) | 2,4-dichlor...)
Affinity DataEC50:  1.24E+3nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetEstrogen receptor(Homo sapiens (Human))
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM36880(2,2'-THIOBIS(4,6-DICHLOROPHENOL) | 2,4-dichlor...)
Affinity DataIC50:  3.94E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Homo sapiens (Human))
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM36880(2,2'-THIOBIS(4,6-DICHLOROPHENOL) | 2,4-dichlor...)
Affinity DataIC50:  1.90E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetEstrogen receptor beta(Homo sapiens (Human))
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM36880(2,2'-THIOBIS(4,6-DICHLOROPHENOL) | 2,4-dichlor...)
Affinity DataIC50:  1.09E+5nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetEstrogen receptor beta(Homo sapiens (Human))
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM36880(2,2'-THIOBIS(4,6-DICHLOROPHENOL) | 2,4-dichlor...)
Affinity DataIC50:  8.15E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetM1 family aminopeptidase(Plasmodium falciparum (isolate FcB1 / Columbia))
Srmlsc

Curated by PubChem BioAssay
LigandPNGBDBM36880(2,2'-THIOBIS(4,6-DICHLOROPHENOL) | 2,4-dichlor...)
Affinity DataIC50:  4.29E+4nMAssay Description:Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetLarge T antigen(Simian virus 40)
Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM36880(2,2'-THIOBIS(4,6-DICHLOROPHENOL) | 2,4-dichlor...)
Affinity DataIC50:  3.57E+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
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
National Institutes Of Health Chemical Genomics Center

Curated by ChEMBL
LigandPNGBDBM36880(2,2'-THIOBIS(4,6-DICHLOROPHENOL) | 2,4-dichlor...)
Affinity DataEC50:  1.00E+3nMAssay Description:Competitive binding affinity to human PXR LBD (111 to 434) by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
National Institutes Of Health Chemical Genomics Center

Curated by ChEMBL
LigandPNGBDBM36880(2,2'-THIOBIS(4,6-DICHLOROPHENOL) | 2,4-dichlor...)
Affinity DataEC50:  1.26E+4nMAssay Description:Activation of human PXR expressed in human HepG2 (DPX-2) cells assessed as induction of CYP3A4 after 24 hrs by luminescent analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMultidrug and toxin extrusion protein 2(Homo sapiens (Human))
University Of California

Curated by ChEMBL
LigandPNGBDBM36880(2,2'-THIOBIS(4,6-DICHLOROPHENOL) | 2,4-dichlor...)
Affinity DataIC50:  6.60E+3nMAssay Description:Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier family 22 member 2(Homo sapiens (Human))
University Of California

Curated by ChEMBL
LigandPNGBDBM36880(2,2'-THIOBIS(4,6-DICHLOROPHENOL) | 2,4-dichlor...)
Affinity DataIC50:  1.90E+3nMAssay Description:Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMultidrug and toxin extrusion protein 1(Homo sapiens (Human))
University Of California

Curated by ChEMBL
LigandPNGBDBM36880(2,2'-THIOBIS(4,6-DICHLOROPHENOL) | 2,4-dichlor...)
Affinity DataIC50:  5.20E+3nMAssay Description:Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier family 22 member 3(Homo sapiens (Human))
University Of California

Curated by ChEMBL
LigandPNGBDBM36880(2,2'-THIOBIS(4,6-DICHLOROPHENOL) | 2,4-dichlor...)
Affinity DataIC50:  5.50E+3nMAssay Description:Inhibition of human OCT3-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier family 22 member 1(Homo sapiens (Human))
University Of California

Curated by ChEMBL
LigandPNGBDBM36880(2,2'-THIOBIS(4,6-DICHLOROPHENOL) | 2,4-dichlor...)
Affinity DataIC50:  3.90E+3nMAssay Description:Inhibition of human OCT1-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier family 22 member 1(Homo sapiens (Human))
University Of California

Curated by ChEMBL
LigandPNGBDBM36880(2,2'-THIOBIS(4,6-DICHLOROPHENOL) | 2,4-dichlor...)
Affinity DataIC50:  2.23E+3nMAssay Description:Inhibition of human OCT1 expressed in HEK293 cells assessed as decrease in uptake of ASP+ after 2 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReplicase polyprotein 1a(Human SARS coronavirus (SARS-CoV))
National Taiwan University

LigandPNGBDBM36880(2,2'-THIOBIS(4,6-DICHLOROPHENOL) | 2,4-dichlor...)
Affinity DataIC50:  4.60E+4nMAssay Description:To establish a high-throughput screening method, we designed a FRET peptide, Abz-SAVLQSGFRK-Dnp, as 3CLpro substrate. The FRET peptide was synthesize...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
LigandPNGBDBM36880(2,2'-THIOBIS(4,6-DICHLOROPHENOL) | 2,4-dichlor...)
Affinity DataIC50:  2.80E+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
TargetCo-chaperonin GroES(Escherichia coli)
Indiana University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM36880(2,2'-THIOBIS(4,6-DICHLOROPHENOL) | 2,4-dichlor...)
Affinity DataIC50:  1.30E+4nMAssay 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
LigandPNGBDBM36880(2,2'-THIOBIS(4,6-DICHLOROPHENOL) | 2,4-dichlor...)
Affinity DataIC50:  4.30E+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
TargetChaperonin GroEL(Escherichia coli)
Indiana University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM36880(2,2'-THIOBIS(4,6-DICHLOROPHENOL) | 2,4-dichlor...)
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
TargetThiosulfate sulfurtransferase(Homo sapiens)
Indiana University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM36880(2,2'-THIOBIS(4,6-DICHLOROPHENOL) | 2,4-dichlor...)
Affinity DataIC50: >1.00E+5nMAssay 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
TargetTransthyretin(Homo sapiens (Human))
University Of Toyama

Curated by ChEMBL
LigandPNGBDBM36880(2,2'-THIOBIS(4,6-DICHLOROPHENOL) | 2,4-dichlor...)
Affinity DataKd:  1.10E+3nMAssay Description:Binding affinity to TTR V3OM mutant (unknown origin) expressed in Escherichia coli incubated for 60 mins by tryptophan intrinsic fluorescence methodMore data for this Ligand-Target Pair
TargetTransthyretin(Homo sapiens (Human))
University Of Toyama

Curated by ChEMBL
LigandPNGBDBM36880(2,2'-THIOBIS(4,6-DICHLOROPHENOL) | 2,4-dichlor...)
Affinity DataIC50:  2.40E+3nMAssay Description:Stabilization of TTR V3OM mutant (unknown origin) assessed as acid-mediated protein aggregation inhibition ratio incubated for 1 week by absorbance m...More data for this Ligand-Target Pair
TargetTransthyretin(Homo sapiens (Human))
University Of Toyama

Curated by ChEMBL
LigandPNGBDBM36880(2,2'-THIOBIS(4,6-DICHLOROPHENOL) | 2,4-dichlor...)
Affinity DataIC50:  3.00E+3nMAssay Description:Stabilization of wild type TTR (unknown origin) expressed in Escherichia coli assessed as reduction in methanol-induced aggregation incubated for 60 ...More data for this Ligand-Target Pair
TargetTransthyretin(Homo sapiens (Human))
University Of Toyama

Curated by ChEMBL
LigandPNGBDBM36880(2,2'-THIOBIS(4,6-DICHLOROPHENOL) | 2,4-dichlor...)
Affinity DataKd:  62nMAssay Description:Binding affinity to TTR V30M mutant (unknown origin) by isothermal titration calorimetryMore data for this Ligand-Target Pair
TargetSphingosine 1-phosphate receptor 1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM36880(2,2'-THIOBIS(4,6-DICHLOROPHENOL) | 2,4-dichlor...)
Affinity DataEC50:  1.02E+3nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay