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BDBM83276 MLS002702141::SMR001565706::[(1E,3E)-4-(benzenesulfonyl)buta-1,3-dienyl]sulfonylbenzene::[(1E,3E)-4-(phenylsulfonyl)buta-1,3-dienyl]sulfonylbenzene::[(1E,3E)-4-besylbuta-1,3-dienyl]sulfonylbenzene::cid_5468033

SMILES: O=S(=O)(\C=C\C=C\S(=O)(=O)c1ccccc1)c1ccccc1

InChI Key: InChIKey=DEXCOBKOWPYHFL-FNCQTZNRSA-N

Data: 3 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 3 hits for monomerid = 83276   
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
Beta lactamase


(Pseudomonas aeruginosa)
BDBM83276
PNG
(MLS002702141 | SMR001565706 | [(1E,3E)-4-(benzenes...)
Show SMILES O=S(=O)(\C=C\C=C\S(=O)(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C16H14O4S2/c17-21(18,15-9-3-1-4-10-15)13-7-8-14-22(19,20)16-11-5-2-6-12-16/h1-14H/b13-7+,14-8+
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
PCBioAssay
n/an/a>4.98E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


Article DOI: 10.1021/bi500887n
BindingDB Entry DOI: 10.7270/Q2G15ZB8
More data for this
Ligand-Target Pair
Toll-like receptor 9 (TLR9)


(Homo sapiens (Human))
BDBM83276
PNG
(MLS002702141 | SMR001565706 | [(1E,3E)-4-(benzenes...)
Show SMILES O=S(=O)(\C=C\C=C\S(=O)(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C16H14O4S2/c17-21(18,15-9-3-1-4-10-15)13-7-8-14-22(19,20)16-11-5-2-6-12-16/h1-14H/b13-7+,14-8+
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 160n/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/Q25Q4TQ8
More data for this
Ligand-Target Pair
Toll-like receptor 9 (TLR9)


(Homo sapiens (Human))
BDBM83276
PNG
(MLS002702141 | SMR001565706 | [(1E,3E)-4-(benzenes...)
Show SMILES O=S(=O)(\C=C\C=C\S(=O)(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C16H14O4S2/c17-21(18,15-9-3-1-4-10-15)13-7-8-14-22(19,20)16-11-5-2-6-12-16/h1-14H/b13-7+,14-8+
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PCBioAssay
n/an/a 8.26E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


Article DOI: 10.1021/bi500711x
BindingDB Entry DOI: 10.7270/Q2KS6Q2P
More data for this
Ligand-Target Pair