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SMILES: CS(=O)(=O)c1ccc(cc1)-c1sc2ncnn2c1-c1ccc(F)cc1

InChI Key: InChIKey=YUYGIQKCRIEWAR-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50289316   
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))
BDBM50289316
PNG
(6-(4-Fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-t...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1sc2ncnn2c1-c1ccc(F)cc1
Show InChI InChI=1S/C17H12FN3O2S2/c1-25(22,23)14-8-4-12(5-9-14)16-15(11-2-6-13(18)7-3-11)21-17(24-16)19-10-20-21/h2-10H,1H3
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PC sid
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Article
n/an/a 1.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested in vitro for the ability to inhibit Prostaglandin G/H synthase 1 in chinese hamster ovary (CHO) cells


Bioorg Med Chem Lett 7: 57-62 (1997)


Article DOI: 10.1016/S0960-894X(96)00582-3
BindingDB Entry DOI: 10.7270/Q29W0FG1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50289316
PNG
(6-(4-Fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-t...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1sc2ncnn2c1-c1ccc(F)cc1
Show InChI InChI=1S/C17H12FN3O2S2/c1-25(22,23)14-8-4-12(5-9-14)16-15(11-2-6-13(18)7-3-11)21-17(24-16)19-10-20-21/h2-10H,1H3
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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

Similars

Article
n/an/a 3.63E+7n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of COX2 (unknown origin) expressed in CHO cells


Citation and Details

Article DOI: 10.1007/s00044-004-0039-1
BindingDB Entry DOI: 10.7270/Q2280BHV
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50289316
PNG
(6-(4-Fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-t...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1sc2ncnn2c1-c1ccc(F)cc1
Show InChI InChI=1S/C17H12FN3O2S2/c1-25(22,23)14-8-4-12(5-9-14)16-15(11-2-6-13(18)7-3-11)21-17(24-16)19-10-20-21/h2-10H,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
n/an/a 36n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested in vitro for the ability to inhibit Prostaglandin G/H synthase 2 in chinese hamster ovary (CHO) cells


Bioorg Med Chem Lett 7: 57-62 (1997)


Article DOI: 10.1016/S0960-894X(96)00582-3
BindingDB Entry DOI: 10.7270/Q29W0FG1
More data for this
Ligand-Target Pair