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BDBM96545 2,4-dichloro-6-(3,5-dichloro-2-hydroxy-phenyl)sulfinyl-phenol::2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfinylphenol::2-[3,5-bis(chloranyl)-2-oxidanyl-phenyl]sulfinyl-4,6-bis(chloranyl)phenol::Bithionoloxide::HL-9::MLS003373842::SMR001550649::cid_68939

SMILES: Oc1c(Cl)cc(Cl)cc1S(=O)c1cc(Cl)cc(Cl)c1O

InChI Key: InChIKey=RPAJWWXZIQJVJF-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 96545   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Replicase polyprotein 1a


(Human SARS coronavirus (SARS-CoV))
BDBM96545
PNG
(2,4-dichloro-6-(3,5-dichloro-2-hydroxy-phenyl)sulf...)
Show SMILES Oc1c(Cl)cc(Cl)cc1S(=O)c1cc(Cl)cc(Cl)c1O
Show InChI InChI=1S/C12H6Cl4O3S/c13-5-1-7(15)11(17)9(3-5)20(19)10-4-6(14)2-8(16)12(10)18/h1-4,17-18H
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.60E+3n/an/an/an/an/an/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
Huntingtin


(Homo sapiens (Human))
BDBM96545
PNG
(2,4-dichloro-6-(3,5-dichloro-2-hydroxy-phenyl)sulf...)
Show SMILES Oc1c(Cl)cc(Cl)cc1S(=O)c1cc(Cl)cc(Cl)c1O
Show InChI InChI=1S/C12H6Cl4O3S/c13-5-1-7(15)11(17)9(3-5)20(19)10-4-6(14)2-8(16)12(10)18/h1-4,17-18H
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.67E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2N58K09
More data for this
Ligand-Target Pair