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SMILES: Cc1cccc(c1)-c1c(sc2nc(nn12)C(F)(F)F)-c1ccc(cc1)S(C)(=O)=O

InChI Key: InChIKey=LZOIEGWIVVWHNS-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50289327   
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))
BDBM50289327
PNG
(5-(4-Methanesulfonyl-phenyl)-6-m-tolyl-2-trifluoro...)
Show SMILES Cc1cccc(c1)-c1c(sc2nc(nn12)C(F)(F)F)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H14F3N3O2S2/c1-11-4-3-5-13(10-11)15-16(12-6-8-14(9-7-12)29(2,26)27)28-18-23-17(19(20,21)22)24-25(15)18/h3-10H,1-2H3
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Article
n/an/a 610n/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))
BDBM50289327
PNG
(5-(4-Methanesulfonyl-phenyl)-6-m-tolyl-2-trifluoro...)
Show SMILES Cc1cccc(c1)-c1c(sc2nc(nn12)C(F)(F)F)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H14F3N3O2S2/c1-11-4-3-5-13(10-11)15-16(12-6-8-14(9-7-12)29(2,26)27)28-18-23-17(19(20,21)22)24-25(15)18/h3-10H,1-2H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Article
n/an/a 3.02E+6n/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))
BDBM50289327
PNG
(5-(4-Methanesulfonyl-phenyl)-6-m-tolyl-2-trifluoro...)
Show SMILES Cc1cccc(c1)-c1c(sc2nc(nn12)C(F)(F)F)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H14F3N3O2S2/c1-11-4-3-5-13(10-11)15-16(12-6-8-14(9-7-12)29(2,26)27)28-18-23-17(19(20,21)22)24-25(15)18/h3-10H,1-2H3
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 3n/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