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 5 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
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
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
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