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SMILES: Cc1nc2sc(c(-c3ccccc3)n2n1)-c1ccc(cc1)S(C)(=O)=O

InChI Key: InChIKey=DLPBGDZVEDZHMK-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50289319   
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))
BDBM50289319
PNG
(5-(4-Methanesulfonyl-phenyl)-2-methyl-6-phenyl-thi...)
Show SMILES Cc1nc2sc(c(-c3ccccc3)n2n1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C18H15N3O2S2/c1-12-19-18-21(20-12)16(13-6-4-3-5-7-13)17(24-18)14-8-10-15(11-9-14)25(2,22)23/h3-11H,1-2H3
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Article
n/an/a>5.00E+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))
BDBM50289319
PNG
(5-(4-Methanesulfonyl-phenyl)-2-methyl-6-phenyl-thi...)
Show SMILES Cc1nc2sc(c(-c3ccccc3)n2n1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C18H15N3O2S2/c1-12-19-18-21(20-12)16(13-6-4-3-5-7-13)17(24-18)14-8-10-15(11-9-14)25(2,22)23/h3-11H,1-2H3
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Article
n/an/a 2.00E+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))
BDBM50289319
PNG
(5-(4-Methanesulfonyl-phenyl)-2-methyl-6-phenyl-thi...)
Show SMILES Cc1nc2sc(c(-c3ccccc3)n2n1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C18H15N3O2S2/c1-12-19-18-21(20-12)16(13-6-4-3-5-7-13)17(24-18)14-8-10-15(11-9-14)25(2,22)23/h3-11H,1-2H3
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Article
n/an/a 1.00E+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 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
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50289319
PNG
(5-(4-Methanesulfonyl-phenyl)-2-methyl-6-phenyl-thi...)
Show SMILES Cc1nc2sc(c(-c3ccccc3)n2n1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C18H15N3O2S2/c1-12-19-18-21(20-12)16(13-6-4-3-5-7-13)17(24-18)14-8-10-15(11-9-14)25(2,22)23/h3-11H,1-2H3
PDB
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KEGG

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Article
n/an/a 20n/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