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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50289323'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50289323
PNG
(5-(4-Methanesulfonyl-phenyl)-6-phenyl-thiazolo[3,2...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1sc2ncnn2c1-c1ccccc1
Show InChI InChI=1S/C17H13N3O2S2/c1-24(21,22)14-9-7-13(8-10-14)16-15(12-5-3-2-4-6-12)20-17(23-16)18-11-19-20/h2-11H,1H3
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MMDB

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Article
n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vivo ability to inhibit Prostaglandin G/H synthase 2 in human whole blood assay


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))
BDBM50289323
PNG
(5-(4-Methanesulfonyl-phenyl)-6-phenyl-thiazolo[3,2...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1sc2ncnn2c1-c1ccccc1
Show InChI InChI=1S/C17H13N3O2S2/c1-24(21,22)14-9-7-13(8-10-14)16-15(12-5-3-2-4-6-12)20-17(23-16)18-11-19-20/h2-11H,1H3
PDB
MMDB

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UniChem

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Article
n/an/a 2.30E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vivo ability to inhibit Prostaglandin G/H synthase 2 in human whole blood assay


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))
BDBM50289323
PNG
(5-(4-Methanesulfonyl-phenyl)-6-phenyl-thiazolo[3,2...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1sc2ncnn2c1-c1ccccc1
Show InChI InChI=1S/C17H13N3O2S2/c1-24(21,22)14-9-7-13(8-10-14)16-15(12-5-3-2-4-6-12)20-17(23-16)18-11-19-20/h2-11H,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
n/an/a 1.00E+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