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SMILES: CS(=O)(=O)c1ccc(cc1)-c1cc(cnc1OCC(F)(F)F)C(F)(F)F

InChI Key: InChIKey=OPYQRHRKRPFJGD-UHFFFAOYSA-N

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 = 50078585   
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
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50078585
PNG
(3-(4-Methanesulfonyl-phenyl)-2-(2,2,2-trifluoro-et...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(cnc1OCC(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C15H11F6NO3S/c1-26(23,24)11-4-2-9(3-5-11)12-6-10(15(19,20)21)7-22-13(12)25-8-14(16,17)18/h2-7H,8H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 1 in human whole blood (HWB) assay


Bioorg Med Chem Lett 9: 1715-20 (1999)


BindingDB Entry DOI: 10.7270/Q2BV7FSP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50078585
PNG
(3-(4-Methanesulfonyl-phenyl)-2-(2,2,2-trifluoro-et...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(cnc1OCC(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C15H11F6NO3S/c1-26(23,24)11-4-2-9(3-5-11)12-6-10(15(19,20)21)7-22-13(12)25-8-14(16,17)18/h2-7H,8H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 500n/an/an/an/an/an/a



Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 2 in human whole blood (HWB) assay


Bioorg Med Chem Lett 9: 1715-20 (1999)


BindingDB Entry DOI: 10.7270/Q2BV7FSP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50078585
PNG
(3-(4-Methanesulfonyl-phenyl)-2-(2,2,2-trifluoro-et...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(cnc1OCC(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C15H11F6NO3S/c1-26(23,24)11-4-2-9(3-5-11)12-6-10(15(19,20)21)7-22-13(12)25-8-14(16,17)18/h2-7H,8H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a<200n/an/an/an/an/an/a



Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 2 in human whole blood (HWB) assay


Bioorg Med Chem Lett 9: 1715-20 (1999)


BindingDB Entry DOI: 10.7270/Q2BV7FSP
More data for this
Ligand-Target Pair