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BDBM46447 5-({[3-(trifluoromethyl)phenyl]sulfinyl}methyl)-2-furoic acid::5-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]-2-furancarboxylic acid::5-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]-2-furoic acid::5-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]furan-2-carboxylic acid::MLS000095808::SMR000031356::cid_3243251

SMILES: OC(=O)c1ccc(CS(=O)c2cccc(c2)C(F)(F)F)o1

InChI Key: InChIKey=IYSAIZCQEHKFBT-UHFFFAOYSA-N

Data: 3 EC50

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 = 46447   
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
Eukaryotic translation initiation factor 2-alpha kinase 3


(Homo sapiens (Human))
BDBM46447
PNG
(5-({[3-(trifluoromethyl)phenyl]sulfinyl}methyl)-2-...)
Show SMILES OC(=O)c1ccc(CS(=O)c2cccc(c2)C(F)(F)F)o1
Show InChI InChI=1S/C13H9F3O4S/c14-13(15,16)8-2-1-3-10(6-8)21(19)7-9-4-5-11(20-9)12(17)18/h1-6H,7H2,(H,17,18)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>5.57E+4n/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) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XG9PJP
More data for this
Ligand-Target Pair
LANA


(Human herpesvirus 8)
BDBM46447
PNG
(5-({[3-(trifluoromethyl)phenyl]sulfinyl}methyl)-2-...)
Show SMILES OC(=O)c1ccc(CS(=O)c2cccc(c2)C(F)(F)F)o1
Show InChI InChI=1S/C13H9F3O4S/c14-13(15,16)8-2-1-3-10(6-8)21(19)7-9-4-5-11(20-9)12(17)18/h1-6H,7H2,(H,17,18)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>7.50E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Primary Collaborators: Kenneth Kaye,Brigham & Womens,Boston MA,kkaye@rics.bwh.harvard.edu,617-525-4256 Chantal Beauchemin,Brigham & Womens,Boston MA,...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HH6HHN
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3


(Homo sapiens (Human))
BDBM46447
PNG
(5-({[3-(trifluoromethyl)phenyl]sulfinyl}methyl)-2-...)
Show SMILES OC(=O)c1ccc(CS(=O)c2cccc(c2)C(F)(F)F)o1
Show InChI InChI=1S/C13H9F3O4S/c14-13(15,16)8-2-1-3-10(6-8)21(19)7-9-4-5-11(20-9)12(17)18/h1-6H,7H2,(H,17,18)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>5.57E+4n/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) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
More data for this
Ligand-Target Pair