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BDBM50150750 4-(4-Methanesulfonyl-phenyl)-6-(4-methoxy-phenyl)-3-phenyl-pyran-2-one::CHEMBL189133

SMILES: COc1ccc(cc1)-c1cc(-c2ccc(cc2)S(C)(=O)=O)c(-c2ccccc2)c(=O)o1

InChI Key: InChIKey=JFSOAPWHDSIWHR-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50150750   
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)


(Ovis aries (Sheep))
BDBM50150750
PNG
(4-(4-Methanesulfonyl-phenyl)-6-(4-methoxy-phenyl)-...)
Show SMILES COc1ccc(cc1)-c1cc(-c2ccc(cc2)S(C)(=O)=O)c(-c2ccccc2)c(=O)o1
Show InChI InChI=1S/C25H20O5S/c1-29-20-12-8-18(9-13-20)23-16-22(17-10-14-21(15-11-17)31(2,27)28)24(25(26)30-23)19-6-4-3-5-7-19/h3-16H,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.15E+4n/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
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50150750
PNG
(4-(4-Methanesulfonyl-phenyl)-6-(4-methoxy-phenyl)-...)
Show SMILES COc1ccc(cc1)-c1cc(-c2ccc(cc2)S(C)(=O)=O)c(-c2ccccc2)c(=O)o1
Show InChI InChI=1S/C25H20O5S/c1-29-20-12-8-18(9-13-20)23-16-22(17-10-14-21(15-11-17)31(2,27)28)24(25(26)30-23)19-6-4-3-5-7-19/h3-16H,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 450n/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