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BDBM50150725 6-(4-Hydroxy-phenyl)-3-(4-methanesulfonyl-phenyl)-4-phenyl-pyran-2-one::CHEMBL363547

SMILES: CS(=O)(=O)c1ccc(cc1)-c1c(cc(oc1=O)-c1ccc(O)cc1)-c1ccccc1

InChI Key: InChIKey=VIVAKNAVLHNDRM-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50150725   
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 (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50150725
PNG
(6-(4-Hydroxy-phenyl)-3-(4-methanesulfonyl-phenyl)-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1c(cc(oc1=O)-c1ccc(O)cc1)-c1ccccc1
Show InChI InChI=1S/C24H18O5S/c1-30(27,28)20-13-9-18(10-14-20)23-21(16-5-3-2-4-6-16)15-22(29-24(23)26)17-7-11-19(25)12-8-17/h2-15,25H,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of ovine Prostaglandin G/H synthase 2


J Med Chem 47: 3972-90 (2004)


Article DOI: 10.1021/jm049939b
BindingDB Entry DOI: 10.7270/Q22F7MXX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50150725
PNG
(6-(4-Hydroxy-phenyl)-3-(4-methanesulfonyl-phenyl)-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1c(cc(oc1=O)-c1ccc(O)cc1)-c1ccccc1
Show InChI InChI=1S/C24H18O5S/c1-30(27,28)20-13-9-18(10-14-20)23-21(16-5-3-2-4-6-16)15-22(29-24(23)26)17-7-11-19(25)12-8-17/h2-15,25H,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of ovine Prostaglandin G/H synthase 1


J Med Chem 47: 3972-90 (2004)


Article DOI: 10.1021/jm049939b
BindingDB Entry DOI: 10.7270/Q22F7MXX
More data for this
Ligand-Target Pair