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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
| Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human)) | BDBM36880 (2,2'-THIOBIS(4,6-DICHLOROPHENOL) | 2,4-dichlor...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet  | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | PCBioAssay | n/a | n/a | n/a | n/a | 2.18E+3 | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25X2795 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Thiosulfate sulfurtransferase (Homo sapiens) | BDBM36880 (2,2'-THIOBIS(4,6-DICHLOROPHENOL) | 2,4-dichlor...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine Curated by ChEMBL | Assay Description Inhibition of native rhodanese (unknown origin) assessed as reduction in rhodanese enzyme activity after 45 mins by Fe(SCN)3 dye based spectrometric ... | Bioorg Med Chem Lett 29: 1106-1112 (2019) Article DOI: 10.1016/j.bmcl.2019.02.028 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human)) | BDBM36880 (2,2'-THIOBIS(4,6-DICHLOROPHENOL) | 2,4-dichlor...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | PCBioAssay | n/a | n/a | n/a | n/a | 1.24E+3 | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2ZC817P | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Estrogen receptor (Homo sapiens (Human)) | BDBM36880 (2,2'-THIOBIS(4,6-DICHLOROPHENOL) | 2,4-dichlor...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | PCBioAssay | n/a | n/a | 3.94E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay | Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2QJ7FQ3 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human)) | BDBM36880 (2,2'-THIOBIS(4,6-DICHLOROPHENOL) | 2,4-dichlor...) | PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | PCBioAssay | n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay | Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q23X8539 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Estrogen receptor beta (Homo sapiens (Human)) | BDBM36880 (2,2'-THIOBIS(4,6-DICHLOROPHENOL) | 2,4-dichlor...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | PCBioAssay | n/a | n/a | 1.09E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay | Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2CF9NHH | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Estrogen receptor beta (Homo sapiens (Human)) | BDBM36880 (2,2'-THIOBIS(4,6-DICHLOROPHENOL) | 2,4-dichlor...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | PCBioAssay | n/a | n/a | 8.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay | Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2WD3Z0J | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| M1 family aminopeptidase (Plasmodium falciparum (isolate FcB1 / Columbia)) | BDBM36880 (2,2'-THIOBIS(4,6-DICHLOROPHENOL) | 2,4-dichlor...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | PCBioAssay | n/a | n/a | 4.29E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
SRMLSC Curated by PubChem BioAssay | Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q27H1H0J | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Large T antigen (Simian virus 40) | BDBM36880 (2,2'-THIOBIS(4,6-DICHLOROPHENOL) | 2,4-dichlor...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | PCBioAssay | n/a | n/a | 3.57E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Research Specialized Biocontainment Screening Center Curated by PubChem BioAssay | Assay Description Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q25X27C2 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human)) | BDBM36880 (2,2'-THIOBIS(4,6-DICHLOROPHENOL) | 2,4-dichlor...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a |
National Institutes of Health Chemical Genomics Center Curated by ChEMBL | Assay Description Competitive binding affinity to human PXR LBD (111 to 434) by TR-FRET assay | Drug Metab Dispos 39: 151-9 (2010) Article DOI: 10.1124/dmd.110.035105 BindingDB Entry DOI: 10.7270/Q2JS9S5P | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human)) | BDBM36880 (2,2'-THIOBIS(4,6-DICHLOROPHENOL) | 2,4-dichlor...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 1.26E+4 | n/a | n/a | n/a | n/a |
National Institutes of Health Chemical Genomics Center Curated by ChEMBL | Assay Description Activation of human PXR expressed in human HepG2 (DPX-2) cells assessed as induction of CYP3A4 after 24 hrs by luminescent analysis | Drug Metab Dispos 39: 151-9 (2010) Article DOI: 10.1124/dmd.110.035105 BindingDB Entry DOI: 10.7270/Q2JS9S5P | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Multidrug and toxin extrusion protein 2 (Homo sapiens (Human)) | BDBM36880 (2,2'-THIOBIS(4,6-DICHLOROPHENOL) | 2,4-dichlor...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 6.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay | J Med Chem 56: 781-95 (2013) Article DOI: 10.1021/jm301302s BindingDB Entry DOI: 10.7270/Q2F76DWZ | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Solute carrier family 22 member 2 (Homo sapiens (Human)) | BDBM36880 (2,2'-THIOBIS(4,6-DICHLOROPHENOL) | 2,4-dichlor...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay | J Med Chem 56: 781-95 (2013) Article DOI: 10.1021/jm301302s BindingDB Entry DOI: 10.7270/Q2F76DWZ | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Multidrug and toxin extrusion protein 1 (Homo sapiens (Human)) | BDBM36880 (2,2'-THIOBIS(4,6-DICHLOROPHENOL) | 2,4-dichlor...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 5.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay | J Med Chem 56: 781-95 (2013) Article DOI: 10.1021/jm301302s BindingDB Entry DOI: 10.7270/Q2F76DWZ | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Solute carrier family 22 member 3 (Homo sapiens (Human)) | BDBM36880 (2,2'-THIOBIS(4,6-DICHLOROPHENOL) | 2,4-dichlor...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Inhibition of human OCT3-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay | J Med Chem 56: 781-95 (2013) Article DOI: 10.1021/jm301302s BindingDB Entry DOI: 10.7270/Q2F76DWZ | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Solute carrier family 22 member 1 (Homo sapiens (Human)) | BDBM36880 (2,2'-THIOBIS(4,6-DICHLOROPHENOL) | 2,4-dichlor...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Inhibition of human OCT1-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay | J Med Chem 56: 781-95 (2013) Article DOI: 10.1021/jm301302s BindingDB Entry DOI: 10.7270/Q2F76DWZ | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Solute carrier family 22 member 1 (Homo sapiens (Human)) | BDBM36880 (2,2'-THIOBIS(4,6-DICHLOROPHENOL) | 2,4-dichlor...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 2.23E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Inhibition of human OCT1 expressed in HEK293 cells assessed as decrease in uptake of MPP+ after 1 min | J Med Chem 60: 2685-2696 (2017) Article DOI: 10.1021/acs.jmedchem.6b01317 BindingDB Entry DOI: 10.7270/Q2NV9MHQ | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Replicase polyprotein 1a (Human SARS coronavirus (SARS-CoV)) | BDBM36880 (2,2'-THIOBIS(4,6-DICHLOROPHENOL) | 2,4-dichlor...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 4.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Taiwan University | Assay Description To establish a high-throughput screening method, we designed a FRET peptide, Abz-SAVLQSGFRK-Dnp, as 3CLpro substrate. The FRET peptide was synthesize... | Biochem Biophys Res Commun 333: 194-9 (2005) Article DOI: 10.1016/j.bbrc.2005.05.095 BindingDB Entry DOI: 10.7270/Q2N58PRD | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| 60 kDa heat shock protein, mitochondrial (Homo sapiens) | BDBM36880 (2,2'-THIOBIS(4,6-DICHLOROPHENOL) | 2,4-dichlor...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine Curated by ChEMBL | Assay Description Inhibition of human N-terminal octa-His-tagged HSP60 expressed in Escherichia coli Rosetta(DE3) pLysS/human HSP10 expressed in Escherichia coli Roset... | Bioorg Med Chem Lett 29: 1106-1112 (2019) Article DOI: 10.1016/j.bmcl.2019.02.028 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Co-chaperonin GroES (Escherichia coli) | BDBM36880 (2,2'-THIOBIS(4,6-DICHLOROPHENOL) | 2,4-dichlor...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine Curated by ChEMBL | Assay Description Inhibition of Escherichia coli GroEL expressed in Escherichia coli DH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed ... | Bioorg Med Chem Lett 29: 1106-1112 (2019) Article DOI: 10.1016/j.bmcl.2019.02.028 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Co-chaperonin GroES (Escherichia coli) | BDBM36880 (2,2'-THIOBIS(4,6-DICHLOROPHENOL) | 2,4-dichlor...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine Curated by ChEMBL | Assay Description Inhibition of Escherichia coli GroEL expressed in Escherichia coliDH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed a... | Bioorg Med Chem Lett 29: 1106-1112 (2019) Article DOI: 10.1016/j.bmcl.2019.02.028 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Chaperonin GroEL (Escherichia coli) | BDBM36880 (2,2'-THIOBIS(4,6-DICHLOROPHENOL) | 2,4-dichlor...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >2.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine Curated by ChEMBL | Assay Description Inhibition of ATPase activity of Escherichia coli GroEL expressed in Escherichia coliDH5alpha incubated for 60 mins using ATP by spectrometric analys... | Bioorg Med Chem Lett 29: 1106-1112 (2019) Article DOI: 10.1016/j.bmcl.2019.02.028 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human)) | BDBM36880 (2,2'-THIOBIS(4,6-DICHLOROPHENOL) | 2,4-dichlor...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | PCBioAssay | n/a | n/a | n/a | n/a | 1.02E+3 | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2251GJ9 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
