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SMILES: CS(=O)(=O)c1ccc(\C=C2\C(=O)Nc3ccc(cc23)[N+]([O-])=O)cc1

InChI Key: InChIKey=JZAVUDVHWTUQAA-RIYZIHGNSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50331902   
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 2


(Oryctolagus cuniculus)
BDBM50331902
PNG
(CHEMBL1289342 | E-5-Nitro-3-[[4-(Methylsulfonyl)ph...)
Show SMILES CS(=O)(=O)c1ccc(\C=C2\C(=O)Nc3ccc(cc23)[N+]([O-])=O)cc1
Show InChI InChI=1S/C16H12N2O5S/c1-24(22,23)12-5-2-10(3-6-12)8-14-13-9-11(18(20)21)4-7-15(13)17-16(14)19/h2-9H,1H3,(H,17,19)/b14-8+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.29E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of COX-2 in rabbit peripheral venous blood assessed as formation of 12-hydroxyheptadecatrienoic acid after 24 hrs in by HPLC presence of c...


Bioorg Med Chem Lett 20: 7349-53 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.056
BindingDB Entry DOI: 10.7270/Q21836QQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Oryctolagus cuniculus)
BDBM50331902
PNG
(CHEMBL1289342 | E-5-Nitro-3-[[4-(Methylsulfonyl)ph...)
Show SMILES CS(=O)(=O)c1ccc(\C=C2\C(=O)Nc3ccc(cc23)[N+]([O-])=O)cc1
Show InChI InChI=1S/C16H12N2O5S/c1-24(22,23)12-5-2-10(3-6-12)8-14-13-9-11(18(20)21)4-7-15(13)17-16(14)19/h2-9H,1H3,(H,17,19)/b14-8+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of COX-1 in rabbit peripheral venous blood assessed as formation of 12-hydroxyheptadecatrienoic acid after 24 hrs by HPLC in presence of c...


Bioorg Med Chem Lett 20: 7349-53 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.056
BindingDB Entry DOI: 10.7270/Q21836QQ
More data for this
Ligand-Target Pair